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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 07:16:37 UTC

Update Date

2021-09-26 23:01:38 UTC

HMDB ID

HMDB0250273

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Ciraparantag

Description

Ciraparantag belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. Based on a literature review a significant number of articles have been published on Ciraparantag. This compound has been identified in human blood as reported by (PMID: 31557052 ). Ciraparantag is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Ciraparantag is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

  Mrv1652309112109162D          

 36 36  0  0  0  0            999 V2000
   -2.1434    2.8875    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
   -1.4289    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    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
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 13 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 28 36  1  0  0  0  0
M  END

HMDB0250273
     RDKit          3D
Ciraparantag
 84 84  0  0  0  0  0  0  0  0999 V2000
   -8.1476    2.0377    1.3259 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5687    0.6782    1.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8742    0.3120    1.6560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7297   -0.2132    0.8477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0548   -1.6200    0.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2299   -2.3494   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2988   -1.8895   -1.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8736   -0.4918   -1.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0637   -0.3238   -3.3866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4013   -0.2917   -1.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9574   -0.3888   -0.5728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4961   -0.0038   -2.7765 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0979    0.1784   -2.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8054    1.3227   -1.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3579    1.5087   -1.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0745    0.1019    0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138   -0.5988    1.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2577   -0.4840    1.0854 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1995   -1.0718    1.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3829   -0.4941    3.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7987    0.9123    3.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    1.3608    2.9697 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4997    1.4588    1.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8435    1.1594    0.6301 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8887    1.9600    1.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3977    2.4999    2.6416 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  2  3
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  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
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 29 30  1  0
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 36 16  1  0
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  7 45  1  0
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  8 47  1  0
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  9 49  1  0
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 33 77  1  0
 33 78  1  0
 34 79  1  0
 34 80  1  0
 35 81  1  0
 35 82  1  0
 36 83  1  0
 36 84  1  0
M  END

  Mrv1652309112109162D          

 36 36  0  0  0  0            999 V2000
   -2.1434    2.8875    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
   -1.4289    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7158    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 13 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 28 36  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0250273

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1

> <INCHI_IDENTIFIER>
InChI=1S/C22H48N12O2/c23-17(5-1-7-31-21(25)26)19(35)29-9-3-11-33-13-15-34(16-14-33)12-4-10-30-20(36)18(24)6-2-8-32-22(27)28/h17-18H,1-16,23-24H2,(H,29,35)(H,30,36)(H4,25,26,31)(H4,27,28,32)

> <INCHI_KEY>
HRDUUSCYRPOMSO-UHFFFAOYSA-N

> <FORMULA>
C22H48N12O2

> <MOLECULAR_WEIGHT>
512.708

> <EXACT_MASS>
512.402318834

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
59.88298394201315

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-N-{3-[4-(3-{2-amino-5-[(diaminomethylidene)amino]pentanamido}propyl)piperazin-1-yl]propyl}-5-[(diaminomethylidene)amino]pentanamide

> <ALOGPS_LOGP>
-1.45

> <JCHEM_LOGP>
-4.438143964

> <ALOGPS_LOGS>
-3.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
5

> <JCHEM_PKA_STRONGEST_BASIC>
11.737848236709386

> <JCHEM_POLAR_SURFACE_AREA>
245.52

> <JCHEM_REFRACTIVITY>
142.5294

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.20e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-N-{3-[4-(3-{2-amino-5-[(diaminomethylidene)amino]pentanamido}propyl)piperazin-1-yl]propyl}-5-[(diaminomethylidene)amino]pentanamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0250273
     RDKit          3D
Ciraparantag
 84 84  0  0  0  0  0  0  0  0999 V2000
   -8.1476    2.0377    1.3259 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5687    0.6782    1.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8742    0.3120    1.6560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7297   -0.2132    0.8477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0548   -1.6200    0.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2299   -2.3494   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2988   -1.8895   -1.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8736   -0.4918   -1.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0637   -0.3238   -3.3866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4013   -0.2917   -1.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9574   -0.3888   -0.5728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4961   -0.0038   -2.7765 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0979    0.1784   -2.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8054    1.3227   -1.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3579    1.5087   -1.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6893    0.3997   -0.6948 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0745    0.1019    0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138   -0.5988    1.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2577   -0.4840    1.0854 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1995   -1.0718    1.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3829   -0.4941    3.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7987    0.9123    3.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    1.3608    2.9697 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4997    1.4588    1.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8435    1.1594    0.6301 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8887    1.9600    1.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3977    2.4999    2.6416 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7832    0.9045    0.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824    0.3398   -0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690   -0.7221   -0.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5481   -0.1112   -1.1933 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6505   -0.7729   -1.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6070   -2.1914   -1.1479 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9045   -0.1555   -1.4841 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4305   -0.7926   -0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6738    0.2556   -1.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1539    2.6124    2.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8101    2.4693    0.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1251    0.2681    2.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5854    0.0861    0.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9050   -2.0364    1.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1460   -1.6746    0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1700   -2.3289    0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5175   -3.4208   -0.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3418   -2.0026   -2.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6789   -2.5631   -2.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4783    0.2944   -1.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5550   -1.0547   -3.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8027    0.6483   -3.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8437    0.0781   -3.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5444    0.3389   -3.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512   -0.7716   -2.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4342    1.3420   -0.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1311    2.2485   -2.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    2.4046   -0.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8502    1.6971   -2.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170    1.0647    1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0212   -0.5153    0.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1856   -0.1795    2.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3288   -1.6847    1.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1581   -1.2327    1.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8265   -2.1496    2.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2195   -1.1147    3.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5240   -0.7449    4.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9565    1.5886    3.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7490    1.1928    4.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7563    1.6767    3.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8468    2.7887    0.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6721    3.5004    2.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1135    1.8971    3.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9079    0.0398    1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7842    1.3865    0.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3134   -0.2195   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1032    1.1065   -1.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8456   -1.0957   -1.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2932   -1.5782   -0.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586   -2.6236   -0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4288   -2.8048   -1.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4256   -0.3497   -2.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3223    0.4895   -0.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9166   -1.7870   -0.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764   -0.8457   -0.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2568    1.1972   -1.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7102   -0.0621   -2.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  3
 32 33  1  0
 32 34  1  0
 19 35  1  0
 35 36  1  0
 36 16  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  3 40  1  0
  5 41  1  0
  5 42  1  0
  6 43  1  0
  6 44  1  0
  7 45  1  0
  7 46  1  0
  8 47  1  0
  9 48  1  0
  9 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
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 15 56  1  0
 17 57  1  0
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 18 59  1  0
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 21 63  1  0
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 22 65  1  0
 22 66  1  0
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 26 68  1  0
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 27 70  1  0
 28 71  1  0
 28 72  1  0
 29 73  1  0
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 30 75  1  0
 30 76  1  0
 33 77  1  0
 33 78  1  0
 34 79  1  0
 34 80  1  0
 35 81  1  0
 35 82  1  0
 36 83  1  0
 36 84  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      -4.001   5.390   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -2.667   3.080   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.335   3.080   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -5.335   4.620   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -6.668   5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -8.002   4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -9.336   5.390   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0     -10.669   4.620   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0     -12.003   5.390   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0     -12.003   6.930   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0     -13.337   4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -14.670   5.390   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -16.004   4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -17.338   5.390   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0     -18.672   4.620   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0     -20.005   5.390   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0     -21.339   4.620   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0     -20.005   6.930   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0     -13.337   3.080   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.000   3.080   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       2.667   3.080   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.001   0.770   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.335   3.080   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.002   3.080   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0      10.669   3.080   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0      12.003   2.310   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0      13.337   3.080   0.000  0.00  0.00           N+0
HETATM   35  N   UNK     0      12.003   0.770   0.000  0.00  0.00           N+0
HETATM   36  N   UNK     0       5.335   4.620   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   22                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   21                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   13                                                            
CONECT   22    3   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   36                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   28                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   72    0
END

COMPND    HMDB0250273
HETATM    1  N1  UNL     1      -8.148   2.038   1.326  1.00  0.00           N  
HETATM    2  C1  UNL     1      -8.569   0.678   1.266  1.00  0.00           C  
HETATM    3  N2  UNL     1      -9.874   0.312   1.656  1.00  0.00           N  
HETATM    4  N3  UNL     1      -7.730  -0.213   0.848  1.00  0.00           N  
HETATM    5  C2  UNL     1      -8.055  -1.620   0.748  1.00  0.00           C  
HETATM    6  C3  UNL     1      -7.230  -2.349  -0.245  1.00  0.00           C  
HETATM    7  C4  UNL     1      -7.299  -1.890  -1.637  1.00  0.00           C  
HETATM    8  C5  UNL     1      -6.874  -0.492  -1.930  1.00  0.00           C  
HETATM    9  N4  UNL     1      -7.064  -0.324  -3.387  1.00  0.00           N  
HETATM   10  C6  UNL     1      -5.401  -0.292  -1.738  1.00  0.00           C  
HETATM   11  O1  UNL     1      -4.957  -0.389  -0.573  1.00  0.00           O  
HETATM   12  N5  UNL     1      -4.496  -0.004  -2.776  1.00  0.00           N  
HETATM   13  C7  UNL     1      -3.098   0.178  -2.508  1.00  0.00           C  
HETATM   14  C8  UNL     1      -2.805   1.323  -1.574  1.00  0.00           C  
HETATM   15  C9  UNL     1      -1.358   1.509  -1.296  1.00  0.00           C  
HETATM   16  N6  UNL     1      -0.689   0.400  -0.695  1.00  0.00           N  
HETATM   17  C10 UNL     1      -1.074   0.102   0.627  1.00  0.00           C  
HETATM   18  C11 UNL     1      -0.114  -0.599   1.507  1.00  0.00           C  
HETATM   19  N7  UNL     1       1.258  -0.484   1.085  1.00  0.00           N  
HETATM   20  C12 UNL     1       2.200  -1.072   1.961  1.00  0.00           C  
HETATM   21  C13 UNL     1       2.383  -0.494   3.294  1.00  0.00           C  
HETATM   22  C14 UNL     1       2.799   0.912   3.467  1.00  0.00           C  
HETATM   23  N8  UNL     1       4.042   1.361   2.970  1.00  0.00           N  
HETATM   24  C15 UNL     1       4.500   1.459   1.652  1.00  0.00           C  
HETATM   25  O2  UNL     1       3.843   1.159   0.630  1.00  0.00           O  
HETATM   26  C16 UNL     1       5.889   1.960   1.380  1.00  0.00           C  
HETATM   27  N9  UNL     1       6.398   2.500   2.642  1.00  0.00           N  
HETATM   28  C17 UNL     1       6.783   0.904   0.842  1.00  0.00           C  
HETATM   29  C18 UNL     1       6.282   0.340  -0.454  1.00  0.00           C  
HETATM   30  C19 UNL     1       7.269  -0.722  -0.981  1.00  0.00           C  
HETATM   31  N10 UNL     1       8.548  -0.111  -1.193  1.00  0.00           N  
HETATM   32  C20 UNL     1       9.650  -0.773  -1.274  1.00  0.00           C  
HETATM   33  N11 UNL     1       9.607  -2.191  -1.148  1.00  0.00           N  
HETATM   34  N12 UNL     1      10.905  -0.156  -1.484  1.00  0.00           N  
HETATM   35  C21 UNL     1       1.431  -0.793  -0.305  1.00  0.00           C  
HETATM   36  C22 UNL     1       0.674   0.256  -1.073  1.00  0.00           C  
HETATM   37  H1  UNL     1      -8.154   2.612   2.175  1.00  0.00           H  
HETATM   38  H2  UNL     1      -7.810   2.469   0.436  1.00  0.00           H  
HETATM   39  H3  UNL     1     -10.125   0.268   2.655  1.00  0.00           H  
HETATM   40  H4  UNL     1     -10.585   0.086   0.944  1.00  0.00           H  
HETATM   41  H5  UNL     1      -7.905  -2.036   1.776  1.00  0.00           H  
HETATM   42  H6  UNL     1      -9.146  -1.675   0.572  1.00  0.00           H  
HETATM   43  H7  UNL     1      -6.170  -2.329   0.123  1.00  0.00           H  
HETATM   44  H8  UNL     1      -7.517  -3.421  -0.212  1.00  0.00           H  
HETATM   45  H9  UNL     1      -8.342  -2.003  -2.056  1.00  0.00           H  
HETATM   46  H10 UNL     1      -6.679  -2.563  -2.281  1.00  0.00           H  
HETATM   47  H11 UNL     1      -7.478   0.294  -1.471  1.00  0.00           H  
HETATM   48  H12 UNL     1      -6.555  -1.055  -3.913  1.00  0.00           H  
HETATM   49  H13 UNL     1      -6.803   0.648  -3.664  1.00  0.00           H  
HETATM   50  H14 UNL     1      -4.844   0.078  -3.751  1.00  0.00           H  
HETATM   51  H15 UNL     1      -2.544   0.339  -3.450  1.00  0.00           H  
HETATM   52  H16 UNL     1      -2.751  -0.772  -2.000  1.00  0.00           H  
HETATM   53  H17 UNL     1      -3.434   1.342  -0.663  1.00  0.00           H  
HETATM   54  H18 UNL     1      -3.131   2.249  -2.140  1.00  0.00           H  
HETATM   55  H19 UNL     1      -1.213   2.405  -0.689  1.00  0.00           H  
HETATM   56  H20 UNL     1      -0.850   1.697  -2.287  1.00  0.00           H  
HETATM   57  H21 UNL     1      -1.417   1.065   1.113  1.00  0.00           H  
HETATM   58  H22 UNL     1      -2.021  -0.515   0.584  1.00  0.00           H  
HETATM   59  H23 UNL     1      -0.186  -0.179   2.531  1.00  0.00           H  
HETATM   60  H24 UNL     1      -0.329  -1.685   1.603  1.00  0.00           H  
HETATM   61  H25 UNL     1       3.158  -1.233   1.454  1.00  0.00           H  
HETATM   62  H26 UNL     1       1.827  -2.150   2.130  1.00  0.00           H  
HETATM   63  H27 UNL     1       3.219  -1.115   3.785  1.00  0.00           H  
HETATM   64  H28 UNL     1       1.524  -0.745   4.002  1.00  0.00           H  
HETATM   65  H29 UNL     1       1.956   1.589   3.038  1.00  0.00           H  
HETATM   66  H30 UNL     1       2.749   1.193   4.581  1.00  0.00           H  
HETATM   67  H31 UNL     1       4.756   1.677   3.714  1.00  0.00           H  
HETATM   68  H32 UNL     1       5.847   2.789   0.656  1.00  0.00           H  
HETATM   69  H33 UNL     1       6.672   3.500   2.534  1.00  0.00           H  
HETATM   70  H34 UNL     1       7.114   1.897   3.060  1.00  0.00           H  
HETATM   71  H35 UNL     1       6.908   0.040   1.548  1.00  0.00           H  
HETATM   72  H36 UNL     1       7.784   1.387   0.674  1.00  0.00           H  
HETATM   73  H37 UNL     1       5.313  -0.220  -0.339  1.00  0.00           H  
HETATM   74  H38 UNL     1       6.103   1.107  -1.231  1.00  0.00           H  
HETATM   75  H39 UNL     1       6.846  -1.096  -1.940  1.00  0.00           H  
HETATM   76  H40 UNL     1       7.293  -1.578  -0.287  1.00  0.00           H  
HETATM   77  H41 UNL     1       9.759  -2.624  -0.202  1.00  0.00           H  
HETATM   78  H42 UNL     1       9.429  -2.805  -1.969  1.00  0.00           H  
HETATM   79  H43 UNL     1      11.426  -0.350  -2.358  1.00  0.00           H  
HETATM   80  H44 UNL     1      11.322   0.489  -0.788  1.00  0.00           H  
HETATM   81  H45 UNL     1       0.917  -1.787  -0.465  1.00  0.00           H  
HETATM   82  H46 UNL     1       2.476  -0.846  -0.560  1.00  0.00           H  
HETATM   83  H47 UNL     1       1.257   1.197  -1.026  1.00  0.00           H  
HETATM   84  H48 UNL     1       0.710  -0.062  -2.151  1.00  0.00           H  
CONECT    1    2   37   38
CONECT    2    3    4    4
CONECT    3   39   40
CONECT    4    5
CONECT    5    6   41   42
CONECT    6    7   43   44
CONECT    7    8   45   46
CONECT    8    9   10   47
CONECT    9   48   49
CONECT   10   11   11   12
CONECT   12   13   50
CONECT   13   14   51   52
CONECT   14   15   53   54
CONECT   15   16   55   56
CONECT   16   17   36
CONECT   17   18   57   58
CONECT   18   19   59   60
CONECT   19   20   35
CONECT   20   21   61   62
CONECT   21   22   63   64
CONECT   22   23   65   66
CONECT   23   24   67
CONECT   24   25   25   26
CONECT   26   27   28   68
CONECT   27   69   70
CONECT   28   29   71   72
CONECT   29   30   73   74
CONECT   30   31   75   76
CONECT   31   32   32
CONECT   32   33   34
CONECT   33   77   78
CONECT   34   79   80
CONECT   35   36   81   82
CONECT   36   83   84
END

HMDB0250273
     RDKit          3D
Ciraparantag
 84 84  0  0  0  0  0  0  0  0999 V2000
   -8.1476    2.0377    1.3259 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5687    0.6782    1.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8742    0.3120    1.6560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7297   -0.2132    0.8477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0548   -1.6200    0.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2299   -2.3494   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2988   -1.8895   -1.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8736   -0.4918   -1.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0637   -0.3238   -3.3866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4013   -0.2917   -1.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9574   -0.3888   -0.5728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4961   -0.0038   -2.7765 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0979    0.1784   -2.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8054    1.3227   -1.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3579    1.5087   -1.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6893    0.3997   -0.6948 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0745    0.1019    0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138   -0.5988    1.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2577   -0.4840    1.0854 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1995   -1.0718    1.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3829   -0.4941    3.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7987    0.9123    3.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    1.3608    2.9697 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4997    1.4588    1.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8435    1.1594    0.6301 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8887    1.9600    1.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3977    2.4999    2.6416 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7832    0.9045    0.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824    0.3398   -0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690   -0.7221   -0.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5481   -0.1112   -1.1933 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6505   -0.7729   -1.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6070   -2.1914   -1.1479 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9045   -0.1555   -1.4841 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4305   -0.7926   -0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6738    0.2556   -1.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1539    2.6124    2.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8101    2.4693    0.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1251    0.2681    2.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5854    0.0861    0.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9050   -2.0364    1.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1460   -1.6746    0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1700   -2.3289    0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5175   -3.4208   -0.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3418   -2.0026   -2.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6789   -2.5631   -2.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4783    0.2944   -1.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5550   -1.0547   -3.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8027    0.6483   -3.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8437    0.0781   -3.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5444    0.3389   -3.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512   -0.7716   -2.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4342    1.3420   -0.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1311    2.2485   -2.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    2.4046   -0.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8502    1.6971   -2.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170    1.0647    1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0212   -0.5153    0.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1856   -0.1795    2.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3288   -1.6847    1.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1581   -1.2327    1.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8265   -2.1496    2.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2195   -1.1147    3.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5240   -0.7449    4.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9565    1.5886    3.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7490    1.1928    4.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7563    1.6767    3.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8468    2.7887    0.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6721    3.5004    2.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1135    1.8971    3.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9079    0.0398    1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7842    1.3865    0.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3134   -0.2195   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1032    1.1065   -1.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8456   -1.0957   -1.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2932   -1.5782   -0.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586   -2.6236   -0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4288   -2.8048   -1.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4256   -0.3497   -2.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3223    0.4895   -0.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9166   -1.7870   -0.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764   -0.8457   -0.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2568    1.1972   -1.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7102   -0.0621   -2.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  3
 32 33  1  0
 32 34  1  0
 19 35  1  0
 35 36  1  0
 36 16  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  3 40  1  0
  5 41  1  0
  5 42  1  0
  6 43  1  0
  6 44  1  0
  7 45  1  0
  7 46  1  0
  8 47  1  0
  9 48  1  0
  9 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
 14 53  1  0
 14 54  1  0
 15 55  1  0
 15 56  1  0
 17 57  1  0
 17 58  1  0
 18 59  1  0
 18 60  1  0
 20 61  1  0
 20 62  1  0
 21 63  1  0
 21 64  1  0
 22 65  1  0
 22 66  1  0
 23 67  1  0
 26 68  1  0
 27 69  1  0
 27 70  1  0
 28 71  1  0
 28 72  1  0
 29 73  1  0
 29 74  1  0
 30 75  1  0
 30 76  1  0
 33 77  1  0
 33 78  1  0
 34 79  1  0
 34 80  1  0
 35 81  1  0
 35 82  1  0
 36 83  1  0
 36 84  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₂H₄₈N₁₂O₂

Average Molecular Weight

512.708

Monoisotopic Molecular Weight

512.402318834

IUPAC Name

2-amino-N-{3-[4-(3-{2-amino-5-[(diaminomethylidene)amino]pentanamido}propyl)piperazin-1-yl]propyl}-5-[(diaminomethylidene)amino]pentanamide

Traditional Name

2-amino-N-{3-[4-(3-{2-amino-5-[(diaminomethylidene)amino]pentanamido}propyl)piperazin-1-yl]propyl}-5-[(diaminomethylidene)amino]pentanamide

CAS Registry Number

Not Available

SMILES

NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1

InChI Identifier

InChI=1S/C22H48N12O2/c23-17(5-1-7-31-21(25)26)19(35)29-9-3-11-33-13-15-34(16-14-33)12-4-10-30-20(36)18(24)6-2-8-32-22(27)28/h17-18H,1-16,23-24H2,(H,29,35)(H,30,36)(H4,25,26,31)(H4,27,28,32)

InChI Key

HRDUUSCYRPOMSO-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acid amides

Alternative Parents

Substituents

Alpha-amino acid amide
N-alkylpiperazine
1,4-diazinane
Fatty amide
N-acyl-amine
Piperazine
Fatty acyl
Carboxamide group
Guanidine
Secondary carboxylic acid amide
Tertiary amine
Tertiary aliphatic amine
Azacycle
Carboximidamide
Organoheterocyclic compound
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Carbonyl group
Amine
Primary amine
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Primary aliphatic amine
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

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
logP	-1.4	ALOGPS
logP	-4.4	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Basic)	11.74	ChemAxon
Physiological Charge	5	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	245.52 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	142.53 m³·mol⁻¹	ChemAxon
Polarizability	59.88 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	217.919	30932474
DeepCCS	[M-H]-	215.561	30932474
DeepCCS	[M-2H]-	249.795	30932474
DeepCCS	[M+Na]+	225.023	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Ciraparantag	NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	3766.5	Standard polar	33892256
Ciraparantag	NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	4177.0	Standard non polar	33892256
Ciraparantag	NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	5238.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Ciraparantag,1TMS,isomer #1	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	4924.2	Semi standard non polar	33892256
Ciraparantag,1TMS,isomer #1	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	4425.6	Standard non polar	33892256
Ciraparantag,1TMS,isomer #1	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	9910.8	Standard polar	33892256
Ciraparantag,1TMS,isomer #2	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	5018.1	Semi standard non polar	33892256
Ciraparantag,1TMS,isomer #2	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	4396.1	Standard non polar	33892256
Ciraparantag,1TMS,isomer #2	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	10112.4	Standard polar	33892256
Ciraparantag,1TMS,isomer #3	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N	4781.6	Semi standard non polar	33892256
Ciraparantag,1TMS,isomer #3	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N	4351.7	Standard non polar	33892256
Ciraparantag,1TMS,isomer #3	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N	10052.1	Standard polar	33892256
Ciraparantag,2TMS,isomer #1	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	4953.1	Semi standard non polar	33892256
Ciraparantag,2TMS,isomer #1	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	4398.2	Standard non polar	33892256
Ciraparantag,2TMS,isomer #1	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	9764.4	Standard polar	33892256
Ciraparantag,2TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	4858.1	Semi standard non polar	33892256
Ciraparantag,2TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	4350.3	Standard non polar	33892256
Ciraparantag,2TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	9917.3	Standard polar	33892256
Ciraparantag,2TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1	4858.0	Semi standard non polar	33892256
Ciraparantag,2TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1	4350.6	Standard non polar	33892256
Ciraparantag,2TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1	9917.3	Standard polar	33892256
Ciraparantag,2TMS,isomer #12	C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4634.0	Semi standard non polar	33892256
Ciraparantag,2TMS,isomer #12	C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4366.5	Standard non polar	33892256
Ciraparantag,2TMS,isomer #12	C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	9899.1	Standard polar	33892256
Ciraparantag,2TMS,isomer #2	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1	4881.7	Semi standard non polar	33892256
Ciraparantag,2TMS,isomer #2	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1	4437.3	Standard non polar	33892256
Ciraparantag,2TMS,isomer #2	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1	9585.7	Standard polar	33892256
Ciraparantag,2TMS,isomer #3	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1	4953.7	Semi standard non polar	33892256
Ciraparantag,2TMS,isomer #3	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1	4398.3	Standard non polar	33892256
Ciraparantag,2TMS,isomer #3	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1	9764.2	Standard polar	33892256
Ciraparantag,2TMS,isomer #4	C[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	4932.2	Semi standard non polar	33892256
Ciraparantag,2TMS,isomer #4	C[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	4466.5	Standard non polar	33892256
Ciraparantag,2TMS,isomer #4	C[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	9853.5	Standard polar	33892256
Ciraparantag,2TMS,isomer #5	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	4784.3	Semi standard non polar	33892256
Ciraparantag,2TMS,isomer #5	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	4394.7	Standard non polar	33892256
Ciraparantag,2TMS,isomer #5	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	9799.9	Standard polar	33892256
Ciraparantag,2TMS,isomer #6	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1	4757.6	Semi standard non polar	33892256
Ciraparantag,2TMS,isomer #6	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1	4395.8	Standard non polar	33892256
Ciraparantag,2TMS,isomer #6	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1	9750.2	Standard polar	33892256
Ciraparantag,2TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C	5036.3	Semi standard non polar	33892256
Ciraparantag,2TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C	4271.4	Standard non polar	33892256
Ciraparantag,2TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C	9864.8	Standard polar	33892256
Ciraparantag,2TMS,isomer #8	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)CC1	5036.9	Semi standard non polar	33892256
Ciraparantag,2TMS,isomer #8	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)CC1	4361.5	Standard non polar	33892256
Ciraparantag,2TMS,isomer #8	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)CC1	9952.6	Standard polar	33892256
Ciraparantag,2TMS,isomer #9	C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	4980.6	Semi standard non polar	33892256
Ciraparantag,2TMS,isomer #9	C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	4419.0	Standard non polar	33892256
Ciraparantag,2TMS,isomer #9	C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	9999.8	Standard polar	33892256
Ciraparantag,3TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C	5034.7	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C	4245.2	Standard non polar	33892256
Ciraparantag,3TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C	9488.5	Standard polar	33892256
Ciraparantag,3TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N[Si](C)(C)C	5035.0	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N[Si](C)(C)C	4245.9	Standard non polar	33892256
Ciraparantag,3TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N[Si](C)(C)C	9488.0	Standard polar	33892256
Ciraparantag,3TMS,isomer #11	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1	4943.4	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #11	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1	4429.7	Standard non polar	33892256
Ciraparantag,3TMS,isomer #11	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1	9647.9	Standard polar	33892256
Ciraparantag,3TMS,isomer #12	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C	4850.2	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #12	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C	4370.9	Standard non polar	33892256
Ciraparantag,3TMS,isomer #12	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C	9590.5	Standard polar	33892256
Ciraparantag,3TMS,isomer #13	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1	4894.1	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #13	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1	4358.5	Standard non polar	33892256
Ciraparantag,3TMS,isomer #13	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1	9644.8	Standard polar	33892256
Ciraparantag,3TMS,isomer #14	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1	5002.9	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #14	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1	4438.6	Standard non polar	33892256
Ciraparantag,3TMS,isomer #14	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1	9693.5	Standard polar	33892256
Ciraparantag,3TMS,isomer #15	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C	4824.7	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #15	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C	4459.7	Standard non polar	33892256
Ciraparantag,3TMS,isomer #15	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C	9753.7	Standard polar	33892256
Ciraparantag,3TMS,isomer #16	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4801.5	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #16	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4468.8	Standard non polar	33892256
Ciraparantag,3TMS,isomer #16	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	9701.0	Standard polar	33892256
Ciraparantag,3TMS,isomer #17	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C	4675.2	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #17	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C	4387.2	Standard non polar	33892256
Ciraparantag,3TMS,isomer #17	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C	9657.3	Standard polar	33892256
Ciraparantag,3TMS,isomer #18	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1	5106.4	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #18	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1	4210.3	Standard non polar	33892256
Ciraparantag,3TMS,isomer #18	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1	9671.6	Standard polar	33892256
Ciraparantag,3TMS,isomer #19	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C	5016.3	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #19	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C	4350.9	Standard non polar	33892256
Ciraparantag,3TMS,isomer #19	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C	9675.4	Standard polar	33892256
Ciraparantag,3TMS,isomer #2	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1	4951.8	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #2	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1	4407.5	Standard non polar	33892256
Ciraparantag,3TMS,isomer #2	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1	9408.1	Standard polar	33892256
Ciraparantag,3TMS,isomer #20	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N[Si](C)(C)C	4935.6	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #20	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N[Si](C)(C)C	4212.8	Standard non polar	33892256
Ciraparantag,3TMS,isomer #20	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N[Si](C)(C)C	9652.2	Standard polar	33892256
Ciraparantag,3TMS,isomer #21	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N[Si](C)(C)C	4937.0	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #21	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N[Si](C)(C)C	4213.9	Standard non polar	33892256
Ciraparantag,3TMS,isomer #21	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N[Si](C)(C)C	9652.2	Standard polar	33892256
Ciraparantag,3TMS,isomer #22	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1	5049.0	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #22	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1	4377.8	Standard non polar	33892256
Ciraparantag,3TMS,isomer #22	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1	9823.3	Standard polar	33892256
Ciraparantag,3TMS,isomer #23	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)CC1	4951.0	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #23	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)CC1	4324.3	Standard non polar	33892256
Ciraparantag,3TMS,isomer #23	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)CC1	9755.0	Standard polar	33892256
Ciraparantag,3TMS,isomer #24	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C	4847.2	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #24	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C	4401.0	Standard non polar	33892256
Ciraparantag,3TMS,isomer #24	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C	9819.2	Standard polar	33892256
Ciraparantag,3TMS,isomer #25	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4846.6	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #25	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4399.7	Standard non polar	33892256
Ciraparantag,3TMS,isomer #25	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	9819.2	Standard polar	33892256
Ciraparantag,3TMS,isomer #26	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C	4728.9	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #26	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C	4337.7	Standard non polar	33892256
Ciraparantag,3TMS,isomer #26	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C	9759.6	Standard polar	33892256
Ciraparantag,3TMS,isomer #3	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC1	5007.5	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #3	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC1	4368.6	Standard non polar	33892256
Ciraparantag,3TMS,isomer #3	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC1	9586.3	Standard polar	33892256
Ciraparantag,3TMS,isomer #4	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	4942.0	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #4	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	4429.5	Standard non polar	33892256
Ciraparantag,3TMS,isomer #4	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	9648.3	Standard polar	33892256
Ciraparantag,3TMS,isomer #5	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C	5003.3	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #5	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C	4438.7	Standard non polar	33892256
Ciraparantag,3TMS,isomer #5	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C	9693.7	Standard polar	33892256
Ciraparantag,3TMS,isomer #6	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	4894.1	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #6	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	4358.6	Standard non polar	33892256
Ciraparantag,3TMS,isomer #6	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	9644.9	Standard polar	33892256
Ciraparantag,3TMS,isomer #7	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1	4850.9	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #7	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1	4370.9	Standard non polar	33892256
Ciraparantag,3TMS,isomer #7	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1	9590.6	Standard polar	33892256
Ciraparantag,3TMS,isomer #8	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1	4914.8	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #8	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1	4491.8	Standard non polar	33892256
Ciraparantag,3TMS,isomer #8	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1	9528.7	Standard polar	33892256
Ciraparantag,3TMS,isomer #9	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1	4809.5	Semi standard non polar	33892256
Ciraparantag,3TMS,isomer #9	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1	4409.0	Standard non polar	33892256
Ciraparantag,3TMS,isomer #9	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1	9483.5	Standard polar	33892256
Ciraparantag,4TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N[Si](C)(C)C	5061.1	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N[Si](C)(C)C	4251.8	Standard non polar	33892256
Ciraparantag,4TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N[Si](C)(C)C	9018.7	Standard polar	33892256
Ciraparantag,4TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C	4888.9	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C	4369.3	Standard non polar	33892256
Ciraparantag,4TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C	9238.0	Standard polar	33892256
Ciraparantag,4TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1	4888.8	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1	4369.0	Standard non polar	33892256
Ciraparantag,4TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1	9238.0	Standard polar	33892256
Ciraparantag,4TMS,isomer #12	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1	4980.1	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #12	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1	4443.3	Standard non polar	33892256
Ciraparantag,4TMS,isomer #12	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1	9281.5	Standard polar	33892256
Ciraparantag,4TMS,isomer #13	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1	5114.2	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #13	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1	4209.7	Standard non polar	33892256
Ciraparantag,4TMS,isomer #13	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1	9205.0	Standard polar	33892256
Ciraparantag,4TMS,isomer #14	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1	5005.9	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #14	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1	4373.5	Standard non polar	33892256
Ciraparantag,4TMS,isomer #14	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1	9398.5	Standard polar	33892256
Ciraparantag,4TMS,isomer #15	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C	4932.5	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #15	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C	4343.8	Standard non polar	33892256
Ciraparantag,4TMS,isomer #15	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C	9348.0	Standard polar	33892256
Ciraparantag,4TMS,isomer #16	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	4977.0	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #16	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	4314.4	Standard non polar	33892256
Ciraparantag,4TMS,isomer #16	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	9403.0	Standard polar	33892256
Ciraparantag,4TMS,isomer #17	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1	5004.7	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #17	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1	4373.2	Standard non polar	33892256
Ciraparantag,4TMS,isomer #17	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1	9398.7	Standard polar	33892256
Ciraparantag,4TMS,isomer #18	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	5076.3	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #18	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	4384.2	Standard non polar	33892256
Ciraparantag,4TMS,isomer #18	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	9450.4	Standard polar	33892256
Ciraparantag,4TMS,isomer #19	C[Si](C)(C)N(C(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5022.2	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #19	C[Si](C)(C)N(C(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4473.1	Standard non polar	33892256
Ciraparantag,4TMS,isomer #19	C[Si](C)(C)N(C(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	9534.6	Standard polar	33892256
Ciraparantag,4TMS,isomer #2	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1	5113.6	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #2	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1	4209.8	Standard non polar	33892256
Ciraparantag,4TMS,isomer #2	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1	9205.3	Standard polar	33892256
Ciraparantag,4TMS,isomer #20	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	4875.5	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #20	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	4383.7	Standard non polar	33892256
Ciraparantag,4TMS,isomer #20	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C	9488.8	Standard polar	33892256
Ciraparantag,4TMS,isomer #21	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1	4844.3	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #21	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1	4405.5	Standard non polar	33892256
Ciraparantag,4TMS,isomer #21	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1	9438.4	Standard polar	33892256
Ciraparantag,4TMS,isomer #22	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4940.5	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #22	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4405.4	Standard non polar	33892256
Ciraparantag,4TMS,isomer #22	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	9532.4	Standard polar	33892256
Ciraparantag,4TMS,isomer #23	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4900.5	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #23	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4420.8	Standard non polar	33892256
Ciraparantag,4TMS,isomer #23	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	9481.0	Standard polar	33892256
Ciraparantag,4TMS,isomer #24	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C	4774.1	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #24	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C	4346.6	Standard non polar	33892256
Ciraparantag,4TMS,isomer #24	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C	9437.5	Standard polar	33892256
Ciraparantag,4TMS,isomer #25	C[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4978.7	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #25	C[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4563.3	Standard non polar	33892256
Ciraparantag,4TMS,isomer #25	C[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9417.8	Standard polar	33892256
Ciraparantag,4TMS,isomer #26	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4839.9	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #26	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4467.7	Standard non polar	33892256
Ciraparantag,4TMS,isomer #26	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9376.3	Standard polar	33892256
Ciraparantag,4TMS,isomer #27	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	4821.0	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #27	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	4464.0	Standard non polar	33892256
Ciraparantag,4TMS,isomer #27	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	9377.8	Standard polar	33892256
Ciraparantag,4TMS,isomer #28	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4726.6	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #28	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4382.9	Standard non polar	33892256
Ciraparantag,4TMS,isomer #28	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9336.2	Standard polar	33892256
Ciraparantag,4TMS,isomer #29	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4984.9	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #29	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4357.6	Standard non polar	33892256
Ciraparantag,4TMS,isomer #29	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	9211.3	Standard polar	33892256
Ciraparantag,4TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C	4984.7	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C	4357.8	Standard non polar	33892256
Ciraparantag,4TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C	9212.2	Standard polar	33892256
Ciraparantag,4TMS,isomer #30	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	4950.8	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #30	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	4232.6	Standard non polar	33892256
Ciraparantag,4TMS,isomer #30	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	9219.0	Standard polar	33892256
Ciraparantag,4TMS,isomer #31	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	4985.7	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #31	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	4200.7	Standard non polar	33892256
Ciraparantag,4TMS,isomer #31	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	9274.3	Standard polar	33892256
Ciraparantag,4TMS,isomer #32	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	5083.4	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #32	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	4258.2	Standard non polar	33892256
Ciraparantag,4TMS,isomer #32	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	9319.8	Standard polar	33892256
Ciraparantag,4TMS,isomer #33	C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	5024.4	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #33	C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4471.1	Standard non polar	33892256
Ciraparantag,4TMS,isomer #33	C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9534.3	Standard polar	33892256
Ciraparantag,4TMS,isomer #34	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4876.4	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #34	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4383.7	Standard non polar	33892256
Ciraparantag,4TMS,isomer #34	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9488.5	Standard polar	33892256
Ciraparantag,4TMS,isomer #35	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	4847.3	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #35	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	4405.0	Standard non polar	33892256
Ciraparantag,4TMS,isomer #35	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	9438.0	Standard polar	33892256
Ciraparantag,4TMS,isomer #36	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4773.8	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #36	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4346.6	Standard non polar	33892256
Ciraparantag,4TMS,isomer #36	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9437.3	Standard polar	33892256
Ciraparantag,4TMS,isomer #37	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4901.0	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #37	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4420.4	Standard non polar	33892256
Ciraparantag,4TMS,isomer #37	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9480.8	Standard polar	33892256
Ciraparantag,4TMS,isomer #38	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	4940.2	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #38	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	4403.8	Standard non polar	33892256
Ciraparantag,4TMS,isomer #38	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	9532.2	Standard polar	33892256
Ciraparantag,4TMS,isomer #39	C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4740.0	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #39	C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4452.2	Standard non polar	33892256
Ciraparantag,4TMS,isomer #39	C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	9572.9	Standard polar	33892256
Ciraparantag,4TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5082.4	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4259.8	Standard non polar	33892256
Ciraparantag,4TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	9320.6	Standard polar	33892256
Ciraparantag,4TMS,isomer #40	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C	5198.6	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #40	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C	4077.6	Standard non polar	33892256
Ciraparantag,4TMS,isomer #40	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C	9268.5	Standard polar	33892256
Ciraparantag,4TMS,isomer #41	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	5104.4	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #41	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	4201.1	Standard non polar	33892256
Ciraparantag,4TMS,isomer #41	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	9443.5	Standard polar	33892256
Ciraparantag,4TMS,isomer #42	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C	5042.5	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #42	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C	4180.9	Standard non polar	33892256
Ciraparantag,4TMS,isomer #42	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C	9391.7	Standard polar	33892256
Ciraparantag,4TMS,isomer #43	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	5041.8	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #43	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	4180.7	Standard non polar	33892256
Ciraparantag,4TMS,isomer #43	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	9391.7	Standard polar	33892256
Ciraparantag,4TMS,isomer #44	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	5087.6	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #44	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	4290.9	Standard non polar	33892256
Ciraparantag,4TMS,isomer #44	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	9388.0	Standard polar	33892256
Ciraparantag,4TMS,isomer #45	C[Si](C)(C)N(C(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4968.7	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #45	C[Si](C)(C)N(C(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4407.7	Standard non polar	33892256
Ciraparantag,4TMS,isomer #45	C[Si](C)(C)N(C(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	9421.1	Standard polar	33892256
Ciraparantag,4TMS,isomer #46	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4900.1	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #46	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4322.8	Standard non polar	33892256
Ciraparantag,4TMS,isomer #46	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	9417.1	Standard polar	33892256
Ciraparantag,4TMS,isomer #47	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4899.8	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #47	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4322.8	Standard non polar	33892256
Ciraparantag,4TMS,isomer #47	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	9417.0	Standard polar	33892256
Ciraparantag,4TMS,isomer #48	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	4845.0	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #48	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	4202.3	Standard non polar	33892256
Ciraparantag,4TMS,isomer #48	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	9414.4	Standard polar	33892256
Ciraparantag,4TMS,isomer #49	C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	5071.0	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #49	C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4378.8	Standard non polar	33892256
Ciraparantag,4TMS,isomer #49	C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9657.4	Standard polar	33892256
Ciraparantag,4TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N[Si](C)(C)C	4985.6	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N[Si](C)(C)C	4202.2	Standard non polar	33892256
Ciraparantag,4TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N[Si](C)(C)C	9275.2	Standard polar	33892256
Ciraparantag,4TMS,isomer #50	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4952.1	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #50	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4344.6	Standard non polar	33892256
Ciraparantag,4TMS,isomer #50	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9597.9	Standard polar	33892256
Ciraparantag,4TMS,isomer #51	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	4953.3	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #51	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	4344.3	Standard non polar	33892256
Ciraparantag,4TMS,isomer #51	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	9597.9	Standard polar	33892256
Ciraparantag,4TMS,isomer #52	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4849.2	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #52	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4303.5	Standard non polar	33892256
Ciraparantag,4TMS,isomer #52	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9541.1	Standard polar	33892256
Ciraparantag,4TMS,isomer #53	C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4772.2	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #53	C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4383.2	Standard non polar	33892256
Ciraparantag,4TMS,isomer #53	C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	9634.0	Standard polar	33892256
Ciraparantag,4TMS,isomer #6	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N[Si](C)(C)C	4952.5	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #6	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N[Si](C)(C)C	4233.4	Standard non polar	33892256
Ciraparantag,4TMS,isomer #6	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N[Si](C)(C)C	9219.6	Standard polar	33892256
Ciraparantag,4TMS,isomer #7	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC1	5014.9	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #7	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC1	4384.9	Standard non polar	33892256
Ciraparantag,4TMS,isomer #7	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC1	9144.6	Standard polar	33892256
Ciraparantag,4TMS,isomer #8	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1	4916.4	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #8	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1	4433.6	Standard non polar	33892256
Ciraparantag,4TMS,isomer #8	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1	9228.5	Standard polar	33892256
Ciraparantag,4TMS,isomer #9	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4979.6	Semi standard non polar	33892256
Ciraparantag,4TMS,isomer #9	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4444.0	Standard non polar	33892256
Ciraparantag,4TMS,isomer #9	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	9281.5	Standard polar	33892256
Ciraparantag,5TMS,isomer #1	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1	5118.8	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #1	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1	4256.2	Standard non polar	33892256
Ciraparantag,5TMS,isomer #1	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1	8621.0	Standard polar	33892256
Ciraparantag,5TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	5084.6	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	4191.6	Standard non polar	33892256
Ciraparantag,5TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	8932.6	Standard polar	33892256
Ciraparantag,5TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1	5064.5	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1	4307.0	Standard non polar	33892256
Ciraparantag,5TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1	8846.7	Standard polar	33892256
Ciraparantag,5TMS,isomer #12	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	5157.5	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #12	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	4244.6	Standard non polar	33892256
Ciraparantag,5TMS,isomer #12	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	8973.1	Standard polar	33892256
Ciraparantag,5TMS,isomer #13	C[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	4934.8	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #13	C[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	4421.3	Standard non polar	33892256
Ciraparantag,5TMS,isomer #13	C[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	8912.7	Standard polar	33892256
Ciraparantag,5TMS,isomer #14	C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5040.5	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #14	C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4396.2	Standard non polar	33892256
Ciraparantag,5TMS,isomer #14	C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	9017.8	Standard polar	33892256
Ciraparantag,5TMS,isomer #15	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4919.2	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #15	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4325.4	Standard non polar	33892256
Ciraparantag,5TMS,isomer #15	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	8972.9	Standard polar	33892256
Ciraparantag,5TMS,isomer #16	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4878.1	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #16	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4347.4	Standard non polar	33892256
Ciraparantag,5TMS,isomer #16	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	8921.6	Standard polar	33892256
Ciraparantag,5TMS,isomer #17	C[Si](C)(C)NC(=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5030.4	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #17	C[Si](C)(C)NC(=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4254.2	Standard non polar	33892256
Ciraparantag,5TMS,isomer #17	C[Si](C)(C)NC(=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	9083.5	Standard polar	33892256
Ciraparantag,5TMS,isomer #18	C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4992.2	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #18	C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4287.6	Standard non polar	33892256
Ciraparantag,5TMS,isomer #18	C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	9031.8	Standard polar	33892256
Ciraparantag,5TMS,isomer #19	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	4894.8	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #19	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	4227.2	Standard non polar	33892256
Ciraparantag,5TMS,isomer #19	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	8987.8	Standard polar	33892256
Ciraparantag,5TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4974.2	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4375.4	Standard non polar	33892256
Ciraparantag,5TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	8655.9	Standard polar	33892256
Ciraparantag,5TMS,isomer #20	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1	4996.1	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #20	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1	4386.3	Standard non polar	33892256
Ciraparantag,5TMS,isomer #20	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1	8903.6	Standard polar	33892256
Ciraparantag,5TMS,isomer #21	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	5045.1	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #21	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	4407.9	Standard non polar	33892256
Ciraparantag,5TMS,isomer #21	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	8959.5	Standard polar	33892256
Ciraparantag,5TMS,isomer #22	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	4969.5	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #22	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	4348.9	Standard non polar	33892256
Ciraparantag,5TMS,isomer #22	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	8925.5	Standard polar	33892256
Ciraparantag,5TMS,isomer #23	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1	4995.0	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #23	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1	4473.1	Standard non polar	33892256
Ciraparantag,5TMS,isomer #23	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1	9089.2	Standard polar	33892256
Ciraparantag,5TMS,isomer #24	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1	4867.3	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #24	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1	4400.7	Standard non polar	33892256
Ciraparantag,5TMS,isomer #24	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1	9051.2	Standard polar	33892256
Ciraparantag,5TMS,isomer #25	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	4868.1	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #25	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	4400.8	Standard non polar	33892256
Ciraparantag,5TMS,isomer #25	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	9051.2	Standard polar	33892256
Ciraparantag,5TMS,isomer #26	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	4994.9	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #26	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	4472.9	Standard non polar	33892256
Ciraparantag,5TMS,isomer #26	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	9089.2	Standard polar	33892256
Ciraparantag,5TMS,isomer #27	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4916.6	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #27	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4420.8	Standard non polar	33892256
Ciraparantag,5TMS,isomer #27	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	9095.0	Standard polar	33892256
Ciraparantag,5TMS,isomer #28	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4927.3	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #28	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4423.5	Standard non polar	33892256
Ciraparantag,5TMS,isomer #28	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	9093.8	Standard polar	33892256
Ciraparantag,5TMS,isomer #29	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	5045.7	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #29	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4497.1	Standard non polar	33892256
Ciraparantag,5TMS,isomer #29	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	9131.3	Standard polar	33892256
Ciraparantag,5TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5066.2	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4299.2	Standard non polar	33892256
Ciraparantag,5TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	8787.9	Standard polar	33892256
Ciraparantag,5TMS,isomer #30	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4813.7	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #30	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4360.1	Standard non polar	33892256
Ciraparantag,5TMS,isomer #30	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9055.1	Standard polar	33892256
Ciraparantag,5TMS,isomer #31	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4928.3	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #31	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4423.6	Standard non polar	33892256
Ciraparantag,5TMS,isomer #31	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9093.8	Standard polar	33892256
Ciraparantag,5TMS,isomer #32	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	4917.4	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #32	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	4420.5	Standard non polar	33892256
Ciraparantag,5TMS,isomer #32	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	9095.0	Standard polar	33892256
Ciraparantag,5TMS,isomer #33	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C	5091.0	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #33	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C	4227.7	Standard non polar	33892256
Ciraparantag,5TMS,isomer #33	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C	8914.5	Standard polar	33892256
Ciraparantag,5TMS,isomer #34	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	5158.5	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #34	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4244.3	Standard non polar	33892256
Ciraparantag,5TMS,isomer #34	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	8972.5	Standard polar	33892256
Ciraparantag,5TMS,isomer #35	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C	5085.9	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #35	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C	4191.5	Standard non polar	33892256
Ciraparantag,5TMS,isomer #35	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C	8932.1	Standard polar	33892256
Ciraparantag,5TMS,isomer #36	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	5048.6	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #36	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	4225.5	Standard non polar	33892256
Ciraparantag,5TMS,isomer #36	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	8872.6	Standard polar	33892256
Ciraparantag,5TMS,isomer #37	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	5065.4	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #37	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	4307.7	Standard non polar	33892256
Ciraparantag,5TMS,isomer #37	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	8846.1	Standard polar	33892256
Ciraparantag,5TMS,isomer #38	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1	5058.0	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #38	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1	4377.2	Standard non polar	33892256
Ciraparantag,5TMS,isomer #38	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1	9199.4	Standard polar	33892256
Ciraparantag,5TMS,isomer #39	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	5106.1	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #39	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4398.5	Standard non polar	33892256
Ciraparantag,5TMS,isomer #39	C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	9243.2	Standard polar	33892256
Ciraparantag,5TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	5003.4	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	4249.1	Standard non polar	33892256
Ciraparantag,5TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	8744.4	Standard polar	33892256
Ciraparantag,5TMS,isomer #40	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4971.7	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #40	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4332.4	Standard non polar	33892256
Ciraparantag,5TMS,isomer #40	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9205.3	Standard polar	33892256
Ciraparantag,5TMS,isomer #41	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	4938.5	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #41	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	4361.4	Standard non polar	33892256
Ciraparantag,5TMS,isomer #41	C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	9155.9	Standard polar	33892256
Ciraparantag,5TMS,isomer #42	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4886.0	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #42	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4315.7	Standard non polar	33892256
Ciraparantag,5TMS,isomer #42	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9162.3	Standard polar	33892256
Ciraparantag,5TMS,isomer #43	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C	4936.0	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #43	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C	4361.5	Standard non polar	33892256
Ciraparantag,5TMS,isomer #43	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C	9156.0	Standard polar	33892256
Ciraparantag,5TMS,isomer #44	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	5002.0	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #44	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4380.1	Standard non polar	33892256
Ciraparantag,5TMS,isomer #44	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9198.8	Standard polar	33892256
Ciraparantag,5TMS,isomer #45	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	4971.0	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #45	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	4331.9	Standard non polar	33892256
Ciraparantag,5TMS,isomer #45	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1	9205.5	Standard polar	33892256
Ciraparantag,5TMS,isomer #46	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	5048.1	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #46	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	4352.5	Standard non polar	33892256
Ciraparantag,5TMS,isomer #46	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	9249.7	Standard polar	33892256
Ciraparantag,5TMS,isomer #47	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	5106.7	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #47	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	4397.7	Standard non polar	33892256
Ciraparantag,5TMS,isomer #47	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	9243.3	Standard polar	33892256
Ciraparantag,5TMS,isomer #48	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4993.9	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #48	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4439.8	Standard non polar	33892256
Ciraparantag,5TMS,isomer #48	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	9366.5	Standard polar	33892256
Ciraparantag,5TMS,isomer #49	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4950.5	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #49	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4463.4	Standard non polar	33892256
Ciraparantag,5TMS,isomer #49	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	9320.6	Standard polar	33892256
Ciraparantag,5TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	5003.7	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	4248.8	Standard non polar	33892256
Ciraparantag,5TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	8744.3	Standard polar	33892256
Ciraparantag,5TMS,isomer #50	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C	4801.9	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #50	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C	4389.1	Standard non polar	33892256
Ciraparantag,5TMS,isomer #50	C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C	9283.8	Standard polar	33892256
Ciraparantag,5TMS,isomer #51	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4852.4	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #51	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4409.3	Standard non polar	33892256
Ciraparantag,5TMS,isomer #51	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	9317.7	Standard polar	33892256
Ciraparantag,5TMS,isomer #52	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C	4913.9	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #52	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C	4534.3	Standard non polar	33892256
Ciraparantag,5TMS,isomer #52	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C	9254.7	Standard polar	33892256
Ciraparantag,5TMS,isomer #53	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4769.5	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #53	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4457.9	Standard non polar	33892256
Ciraparantag,5TMS,isomer #53	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9214.6	Standard polar	33892256
Ciraparantag,5TMS,isomer #54	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	4936.5	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #54	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	4420.1	Standard non polar	33892256
Ciraparantag,5TMS,isomer #54	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	8911.5	Standard polar	33892256
Ciraparantag,5TMS,isomer #55	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4878.9	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #55	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4347.2	Standard non polar	33892256
Ciraparantag,5TMS,isomer #55	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	8920.8	Standard polar	33892256
Ciraparantag,5TMS,isomer #56	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4919.7	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #56	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4324.3	Standard non polar	33892256
Ciraparantag,5TMS,isomer #56	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	8972.1	Standard polar	33892256
Ciraparantag,5TMS,isomer #57	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	5043.8	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #57	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4395.8	Standard non polar	33892256
Ciraparantag,5TMS,isomer #57	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	9016.9	Standard polar	33892256
Ciraparantag,5TMS,isomer #58	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	4894.0	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #58	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	4226.0	Standard non polar	33892256
Ciraparantag,5TMS,isomer #58	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	8987.2	Standard polar	33892256
Ciraparantag,5TMS,isomer #59	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	4992.5	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #59	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	4286.8	Standard non polar	33892256
Ciraparantag,5TMS,isomer #59	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	9031.1	Standard polar	33892256
Ciraparantag,5TMS,isomer #6	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	5067.3	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #6	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	4299.0	Standard non polar	33892256
Ciraparantag,5TMS,isomer #6	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	8787.8	Standard polar	33892256
Ciraparantag,5TMS,isomer #60	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	5032.2	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #60	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	4252.3	Standard non polar	33892256
Ciraparantag,5TMS,isomer #60	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	9082.8	Standard polar	33892256
Ciraparantag,5TMS,isomer #61	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C	4953.7	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #61	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C	4463.0	Standard non polar	33892256
Ciraparantag,5TMS,isomer #61	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C	9320.4	Standard polar	33892256
Ciraparantag,5TMS,isomer #62	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C	4994.9	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #62	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C	4439.0	Standard non polar	33892256
Ciraparantag,5TMS,isomer #62	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C	9366.2	Standard polar	33892256
Ciraparantag,5TMS,isomer #63	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4803.5	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #63	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4388.4	Standard non polar	33892256
Ciraparantag,5TMS,isomer #63	C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9283.6	Standard polar	33892256
Ciraparantag,5TMS,isomer #64	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4853.0	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #64	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4408.3	Standard non polar	33892256
Ciraparantag,5TMS,isomer #64	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9317.5	Standard polar	33892256
Ciraparantag,5TMS,isomer #65	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	5171.5	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #65	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	4158.2	Standard non polar	33892256
Ciraparantag,5TMS,isomer #65	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	8840.0	Standard polar	33892256
Ciraparantag,5TMS,isomer #66	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	5143.8	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #66	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	4103.2	Standard non polar	33892256
Ciraparantag,5TMS,isomer #66	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	8867.1	Standard polar	33892256
Ciraparantag,5TMS,isomer #67	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	5113.9	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #67	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	4295.7	Standard non polar	33892256
Ciraparantag,5TMS,isomer #67	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C	9143.4	Standard polar	33892256
Ciraparantag,5TMS,isomer #68	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	5035.6	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #68	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	4208.9	Standard non polar	33892256
Ciraparantag,5TMS,isomer #68	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C	9156.9	Standard polar	33892256
Ciraparantag,5TMS,isomer #69	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	5038.7	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #69	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	4208.8	Standard non polar	33892256
Ciraparantag,5TMS,isomer #69	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	9156.9	Standard polar	33892256
Ciraparantag,5TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C	5202.8	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C	4135.1	Standard non polar	33892256
Ciraparantag,5TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C	8633.5	Standard polar	33892256
Ciraparantag,5TMS,isomer #70	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4977.9	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #70	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4188.1	Standard non polar	33892256
Ciraparantag,5TMS,isomer #70	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9106.2	Standard polar	33892256
Ciraparantag,5TMS,isomer #71	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4994.7	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #71	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4276.6	Standard non polar	33892256
Ciraparantag,5TMS,isomer #71	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9092.9	Standard polar	33892256
Ciraparantag,5TMS,isomer #72	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	4995.4	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #72	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	4276.3	Standard non polar	33892256
Ciraparantag,5TMS,isomer #72	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1	9092.9	Standard polar	33892256
Ciraparantag,5TMS,isomer #73	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	5057.8	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #73	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	4332.2	Standard non polar	33892256
Ciraparantag,5TMS,isomer #73	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1	9083.9	Standard polar	33892256
Ciraparantag,5TMS,isomer #74	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4864.8	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #74	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4401.0	Standard non polar	33892256
Ciraparantag,5TMS,isomer #74	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	9154.8	Standard polar	33892256
Ciraparantag,5TMS,isomer #75	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4863.3	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #75	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4400.1	Standard non polar	33892256
Ciraparantag,5TMS,isomer #75	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	9154.7	Standard polar	33892256
Ciraparantag,5TMS,isomer #76	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4814.1	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #76	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4320.2	Standard non polar	33892256
Ciraparantag,5TMS,isomer #76	C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	9163.1	Standard polar	33892256
Ciraparantag,5TMS,isomer #77	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C	5025.0	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #77	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C	4365.7	Standard non polar	33892256
Ciraparantag,5TMS,isomer #77	C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C	9431.6	Standard polar	33892256
Ciraparantag,5TMS,isomer #78	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4886.7	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #78	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	4334.3	Standard non polar	33892256
Ciraparantag,5TMS,isomer #78	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C	9384.3	Standard polar	33892256
Ciraparantag,5TMS,isomer #8	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	5090.7	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #8	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	4227.6	Standard non polar	33892256
Ciraparantag,5TMS,isomer #8	C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C	8914.6	Standard polar	33892256
Ciraparantag,5TMS,isomer #9	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C	5049.4	Semi standard non polar	33892256
Ciraparantag,5TMS,isomer #9	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C	4225.6	Standard non polar	33892256
Ciraparantag,5TMS,isomer #9	C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C	8872.9	Standard polar	33892256
Ciraparantag,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	5093.4	Semi standard non polar	33892256
Ciraparantag,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	4611.4	Standard non polar	33892256
Ciraparantag,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	9851.6	Standard polar	33892256
Ciraparantag,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	5152.1	Semi standard non polar	33892256
Ciraparantag,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	4556.4	Standard non polar	33892256
Ciraparantag,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	9990.5	Standard polar	33892256
Ciraparantag,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N	5006.7	Semi standard non polar	33892256
Ciraparantag,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N	4540.9	Standard non polar	33892256
Ciraparantag,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N	9999.4	Standard polar	33892256
Ciraparantag,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	5287.6	Semi standard non polar	33892256
Ciraparantag,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	4731.2	Standard non polar	33892256
Ciraparantag,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	9637.8	Standard polar	33892256
Ciraparantag,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C	5233.2	Semi standard non polar	33892256
Ciraparantag,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C	4679.9	Standard non polar	33892256
Ciraparantag,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C	9808.6	Standard polar	33892256
Ciraparantag,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1	5233.4	Semi standard non polar	33892256
Ciraparantag,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1	4680.2	Standard non polar	33892256
Ciraparantag,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1	9808.6	Standard polar	33892256
Ciraparantag,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	5078.2	Semi standard non polar	33892256
Ciraparantag,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4713.5	Standard non polar	33892256
Ciraparantag,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	9861.7	Standard polar	33892256
Ciraparantag,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1	5238.7	Semi standard non polar	33892256
Ciraparantag,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1	4819.3	Standard non polar	33892256
Ciraparantag,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1	9507.1	Standard polar	33892256
Ciraparantag,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1	5287.6	Semi standard non polar	33892256
Ciraparantag,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1	4731.7	Standard non polar	33892256
Ciraparantag,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1	9637.6	Standard polar	33892256
Ciraparantag,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C	5271.7	Semi standard non polar	33892256
Ciraparantag,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C	4806.8	Standard non polar	33892256
Ciraparantag,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C	9777.6	Standard polar	33892256
Ciraparantag,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C	5182.9	Semi standard non polar	33892256
Ciraparantag,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C	4760.3	Standard non polar	33892256
Ciraparantag,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C	9729.5	Standard polar	33892256
Ciraparantag,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1	5156.5	Semi standard non polar	33892256
Ciraparantag,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1	4763.3	Standard non polar	33892256
Ciraparantag,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1	9689.6	Standard polar	33892256
Ciraparantag,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C(C)(C)C	5373.8	Semi standard non polar	33892256
Ciraparantag,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C(C)(C)C	4597.7	Standard non polar	33892256
Ciraparantag,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C(C)(C)C	9659.0	Standard polar	33892256
Ciraparantag,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)CC1	5370.3	Semi standard non polar	33892256
Ciraparantag,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)CC1	4649.1	Standard non polar	33892256
Ciraparantag,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)CC1	9768.4	Standard polar	33892256
Ciraparantag,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C	5275.2	Semi standard non polar	33892256
Ciraparantag,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C	4735.7	Standard non polar	33892256
Ciraparantag,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C	9858.7	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C(C)(C)C	5554.5	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C(C)(C)C	4691.7	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C(C)(C)C	9148.3	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1)N[Si](C)(C)C(C)(C)C	5554.4	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1)N[Si](C)(C)C(C)(C)C	4692.1	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1)N[Si](C)(C)C(C)(C)C	9147.9	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	5453.5	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	4876.6	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	9438.9	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C	5393.0	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C	4838.9	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C	9412.3	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	5414.9	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	4820.2	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	9447.1	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	5510.6	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	4882.4	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	9478.2	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5377.6	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4951.2	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	9616.3	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	5370.6	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4953.1	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	9580.1	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C	5266.0	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C	4896.7	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C	9551.3	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)CC1	5631.7	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)CC1	4594.2	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)CC1	9283.3	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5526.8	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4766.2	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	9367.3	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1	5453.3	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1	4870.0	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1	9194.0	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5498.7	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4672.0	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	9368.5	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)N[Si](C)(C)C(C)(C)C	5499.3	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)N[Si](C)(C)C(C)(C)C	4672.6	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)N[Si](C)(C)C(C)(C)C	9368.4	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	5549.6	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	4778.7	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	9554.0	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	5485.4	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	4737.3	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	9524.9	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5398.6	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4851.1	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	9651.5	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	5397.4	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	4850.6	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N	9651.5	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C	5344.2	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C	4803.4	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C	9622.5	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)CC1	5517.1	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)CC1	4761.9	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)CC1	9315.7	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	5452.7	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	4877.1	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1	9439.1	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5510.5	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4883.3	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	9478.4	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C	5415.3	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C	4820.9	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C	9447.2	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1	5393.0	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1	4838.2	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1	9412.4	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	5445.6	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	4977.7	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	9366.0	Standard polar	33892256
Ciraparantag,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	5342.3	Semi standard non polar	33892256
Ciraparantag,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	4920.5	Standard non polar	33892256
Ciraparantag,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1	9335.2	Standard polar	33892256

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ciraparantag 10V, Positive-QTOF	splash10-03dj-0000970000-682d845bd5bc62d9d1bd	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ciraparantag 20V, Positive-QTOF	splash10-0udr-0001900000-a25de8ed911e7782ab9e	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ciraparantag 40V, Positive-QTOF	splash10-00bi-8786900000-798320500802eb63e4f4	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ciraparantag 10V, Negative-QTOF	splash10-03dl-3000390000-c93abbb779fd166582de	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ciraparantag 20V, Negative-QTOF	splash10-0006-9000600000-dba6ecf4ae9377edca84	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ciraparantag 40V, Negative-QTOF	splash10-0006-9000510000-f9e7143a2eb6e8978c42	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

64880331

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Ciraparantag

METLIN ID

Not Available

PubChem Compound

71570176

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

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Ciraparantag (HMDB0250273)

MOL for HMDB0250273 (Ciraparantag)

3D MOL for HMDB0250273 (Ciraparantag)

3D SDF for HMDB0250273 (Ciraparantag)

3D-SDF for HMDB0250273 (Ciraparantag)

PDB for HMDB0250273 (Ciraparantag)

3D PDB for HMDB0250273 (Ciraparantag)

SMILES for HMDB0250273 (Ciraparantag)

INCHI for HMDB0250273 (Ciraparantag)

Structure for HMDB0250273 (Ciraparantag)

3D Structure for HMDB0250273 (Ciraparantag)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

MS/MS Spectra