Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 15:16:51 UTC

Update Date

2022-03-07 02:51:51 UTC

HMDB ID

HMDB0015066

Secondary Accession Numbers

HMDB15066

Metabolite Identification

Common Name

Methacycline

Description

Methacycline is only found in individuals that have used or taken this drug. It is a broad-spectrum semisynthetic antibiotic related to tetracycline but excreted more slowly and maintaining effective blood levels for a more extended period. [PubChem]Methacycline, a tetracycline antibiotic, is a protein synthesis inhibitors, inhibiting the binding of aminoacyl-tRNA to the mRNA-ribosome complex. Methacycline inhibits cell growth by inhibiting translation. It binds to the 16S part of the 30S ribosomal subunit and prevents the amino-acyl tRNA from binding to the A site of the ribosome. The binding is reversible in nature. Tetracyclines also have been found to inhibit matrix metalloproteinases. This mechanism does not add to their antibiotic effects, but has led to extensive research on chemically modified tetracyclines or CMTs (like incyclinide) for the treatmet of rosacea, acne, and various types of neoplasms.

Structure

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

931
  Mrv0541 02231215062D          

 32 35  0  0  1  0            999 V2000
    4.8066    1.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4927   -1.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4927    1.6441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0885    1.6456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6963   -0.7516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777    1.6714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6992    1.6632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3330    1.7055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1077   -1.5520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0087    0.4776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8066   -0.3364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8066    0.4558    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4927   -0.7325    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1787   -0.3364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0984   -0.7599    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1787    0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4927    0.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0984    0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8868   -0.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8868    0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6046   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6046    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4262   -1.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7983   -1.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777   -1.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6963    0.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3422   -0.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3422    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0898   -0.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0898    0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6  0  0  0
 13  2  1  6  0  0  0
  3 17  1  0  0  0  0
  4 18  2  0  0  0  0
  5 19  2  0  0  0  0
  6 22  2  0  0  0  0
  7 28  2  0  0  0  0
  8 30  1  0  0  0  0
 15  9  1  6  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  1  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 20  1  1  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 27  2  0  0  0  0
 21 28  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END

HMDB0015066
     RDKit          3D
Methacycline
 54 57  0  0  0  0  0  0  0  0999 V2000
    2.1968    2.4017   -0.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4604    1.2970   -0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553    0.6493   -0.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8377    1.3882   -0.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0997    0.8026   -1.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2079   -0.5155   -0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1464   -1.3050   -0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3899   -2.6001    0.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9312   -0.6998   -0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8026   -1.4450    0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8446   -2.6808    0.6661 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4918   -0.7654    0.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135   -1.5058    0.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -2.9045    0.5698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9572   -0.9935    0.7948 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2937   -1.3286    2.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8519   -1.8687   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4672   -2.7771   -0.7303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3124   -1.5451    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1182   -2.3217   -0.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1806   -3.7451   -0.8450 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7990   -1.7227   -1.7334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4243   -0.0913   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5445    0.3956    0.0348 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2403    0.6954   -0.4494 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4567    2.0815   -0.6823 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250    2.2546   -1.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0709    2.7902    0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1189    0.4458    0.5493 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0898    1.2258    0.1834 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0120    2.5104    0.8246 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4094    0.6881    0.5870 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9830    2.8157   -1.5923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2766    2.9690   -0.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7504    2.4396   -1.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9176    1.4071   -1.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1788   -0.9818   -0.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8388   -3.3020    0.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0811   -3.5056    1.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2421   -2.3051    2.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6526   -1.8334    1.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7335   -4.2695   -0.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6948   -4.3297   -1.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8508    0.2651   -1.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0342    3.2406   -2.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3680    2.3854   -1.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2551    1.4299   -2.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207    2.5406    1.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1664    2.6696    0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8796    3.8856    0.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5116    0.9028    1.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0970    1.4295   -0.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0224    2.2952    1.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6676    1.0411    1.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  1
 15 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 19 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 25 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32  2  1  0
  9  3  1  0
 32 12  1  0
 29 15  1  0
  1 33  1  0
  1 34  1  0
  4 35  1  0
  5 36  1  0
  6 37  1  0
  8 38  1  0
 14 39  1  0
 16 40  1  0
 19 41  1  0
 21 42  1  0
 21 43  1  0
 25 44  1  6
 27 45  1  0
 27 46  1  0
 27 47  1  0
 28 48  1  0
 28 49  1  0
 28 50  1  0
 29 51  1  1
 30 52  1  6
 31 53  1  0
 32 54  1  1
M  END

931
  Mrv0541 02231215062D          

 32 35  0  0  1  0            999 V2000
    4.8066    1.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4927   -1.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4927    1.6441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0885    1.6456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6963   -0.7516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777    1.6714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6992    1.6632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3330    1.7055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1077   -1.5520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0087    0.4776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8066   -0.3364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8066    0.4558    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4927   -0.7325    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1787   -0.3364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0984   -0.7599    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1787    0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4927    0.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0984    0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8868   -0.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8868    0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6046   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6046    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4262   -1.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7983   -1.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777   -1.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6963    0.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3422   -0.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3422    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0898   -0.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0898    0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6  0  0  0
 13  2  1  6  0  0  0
  3 17  1  0  0  0  0
  4 18  2  0  0  0  0
  5 19  2  0  0  0  0
  6 22  2  0  0  0  0
  7 28  2  0  0  0  0
  8 30  1  0  0  0  0
 15  9  1  6  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  1  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 20  1  1  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 27  2  0  0  0  0
 21 28  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0015066

> <DATABASE_NAME>
hmdb

> <SMILES>
CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,13-15,17,25,27,29,32H,1H2,2-3H3,(H2,23,31)/t10-,13?,14-,15+,17+,22+/m1/s1

> <INCHI_KEY>
IWFHNYCDKMICPE-LKTMJOCVSA-N

> <FORMULA>
C22H22N2O8

> <MOLECULAR_WEIGHT>
442.4187

> <EXACT_MASS>
442.13761569

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
42.06610392576466

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4S,4aR,5S,5aR,12aS)-4-(dimethylamino)-5,10,12,12a-tetrahydroxy-6-methylidene-1,3,11-trioxo-1,2,3,4,4a,5,5a,6,11,12a-decahydrotetracene-2-carboxamide

> <ALOGPS_LOGP>
0.39

> <JCHEM_LOGP>
-1.4763370029843788

> <ALOGPS_LOGS>
-2.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
7.750110500081376

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.207877697719158

> <JCHEM_PKA_STRONGEST_BASIC>
6.159159053007751

> <JCHEM_POLAR_SURFACE_AREA>
178.45999999999998

> <JCHEM_REFRACTIVITY>
111.57109999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.32e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methacycline

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0015066
     RDKit          3D
Methacycline
 54 57  0  0  0  0  0  0  0  0999 V2000
    2.1968    2.4017   -0.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4604    1.2970   -0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553    0.6493   -0.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8377    1.3882   -0.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0997    0.8026   -1.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2079   -0.5155   -0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1464   -1.3050   -0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3899   -2.6001    0.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9312   -0.6998   -0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8026   -1.4450    0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8446   -2.6808    0.6661 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4918   -0.7654    0.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135   -1.5058    0.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -2.9045    0.5698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9572   -0.9935    0.7948 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2937   -1.3286    2.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8519   -1.8687   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4672   -2.7771   -0.7303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3124   -1.5451    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1182   -2.3217   -0.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1806   -3.7451   -0.8450 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7990   -1.7227   -1.7334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4243   -0.0913   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5445    0.3956    0.0348 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2403    0.6954   -0.4494 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4567    2.0815   -0.6823 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250    2.2546   -1.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0709    2.7902    0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1189    0.4458    0.5493 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0898    1.2258    0.1834 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0120    2.5104    0.8246 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4094    0.6881    0.5870 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9830    2.8157   -1.5923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2766    2.9690   -0.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7504    2.4396   -1.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9176    1.4071   -1.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1788   -0.9818   -0.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8388   -3.3020    0.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0811   -3.5056    1.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2421   -2.3051    2.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6526   -1.8334    1.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7335   -4.2695   -0.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6948   -4.3297   -1.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8508    0.2651   -1.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0342    3.2406   -2.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3680    2.3854   -1.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2551    1.4299   -2.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207    2.5406    1.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1664    2.6696    0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8796    3.8856    0.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5116    0.9028    1.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0970    1.4295   -0.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0224    2.2952    1.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6676    1.0411    1.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  1
 15 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 19 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 25 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32  2  1  0
  9  3  1  0
 32 12  1  0
 29 15  1  0
  1 33  1  0
  1 34  1  0
  4 35  1  0
  5 36  1  0
  6 37  1  0
  8 38  1  0
 14 39  1  0
 16 40  1  0
 19 41  1  0
 21 42  1  0
 21 43  1  0
 25 44  1  6
 27 45  1  0
 27 46  1  0
 27 47  1  0
 28 48  1  0
 28 49  1  0
 28 50  1  0
 29 51  1  1
 30 52  1  6
 31 53  1  0
 32 54  1  1
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 931                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0       8.972   2.330   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      10.253  -2.846   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      10.253   3.069   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       7.632   3.072   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       5.033  -1.403   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      12.838   3.120   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       5.039   3.105   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      15.555   3.184   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0       7.668  -2.897   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0       3.750   0.892   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       8.972  -0.628   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.972   0.851   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.253  -1.367   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      11.534  -0.628   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.650  -1.418   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.534   0.851   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.253   1.590   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.650   1.641   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.311  -0.659   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.855  -1.418   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.311   0.882   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.855   1.641   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      14.195  -0.659   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      14.195   0.882   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.396  -3.651   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.957  -3.622   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.838  -2.897   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.033   1.626   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      15.572  -1.482   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      15.572   1.705   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      16.968  -0.691   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      16.968   0.914   0.000  0.00  0.00           C+0
CONECT    1   12                                                            
CONECT    2   13                                                            
CONECT    3   17                                                            
CONECT    4   18                                                            
CONECT    5   19                                                            
CONECT    6   22                                                            
CONECT    7   28                                                            
CONECT    8   30                                                            
CONECT    9   15   25   26                                                  
CONECT   10   28                                                            
CONECT   11   12   13   15                                                  
CONECT   12    1   11   17   18                                             
CONECT   13    2   11   14                                                  
CONECT   14   13   16   20                                                  
CONECT   15    9   11   19                                                  
CONECT   16   14   17   22                                                  
CONECT   17    3   12   16                                                  
CONECT   18    4   12   21                                                  
CONECT   19    5   15   21                                                  
CONECT   20   14   23   27                                                  
CONECT   21   18   19   28                                                  
CONECT   22    6   16   24                                                  
CONECT   23   20   24   29                                                  
CONECT   24   22   23   30                                                  
CONECT   25    9                                                            
CONECT   26    9                                                            
CONECT   27   20                                                            
CONECT   28    7   10   21                                                  
CONECT   29   23   31                                                       
CONECT   30    8   24   32                                                  
CONECT   31   29   32                                                       
CONECT   32   30   31                                                       
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END

COMPND    HMDB0015066
HETATM    1  C1  UNL     1       2.197   2.402  -0.935  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.460   1.297  -0.284  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.755   0.649  -0.432  1.00  0.00           C  
HETATM    4  C4  UNL     1       4.838   1.388  -0.883  1.00  0.00           C  
HETATM    5  C5  UNL     1       6.100   0.803  -1.034  1.00  0.00           C  
HETATM    6  C6  UNL     1       6.208  -0.516  -0.718  1.00  0.00           C  
HETATM    7  C7  UNL     1       5.146  -1.305  -0.257  1.00  0.00           C  
HETATM    8  O1  UNL     1       5.390  -2.600   0.020  1.00  0.00           O  
HETATM    9  C8  UNL     1       3.931  -0.700  -0.122  1.00  0.00           C  
HETATM   10  C9  UNL     1       2.803  -1.445   0.358  1.00  0.00           C  
HETATM   11  O2  UNL     1       2.845  -2.681   0.666  1.00  0.00           O  
HETATM   12  C10 UNL     1       1.492  -0.765   0.519  1.00  0.00           C  
HETATM   13  C11 UNL     1       0.414  -1.506   0.623  1.00  0.00           C  
HETATM   14  O3  UNL     1       0.575  -2.904   0.570  1.00  0.00           O  
HETATM   15  C12 UNL     1      -0.957  -0.993   0.795  1.00  0.00           C  
HETATM   16  O4  UNL     1      -1.294  -1.329   2.140  1.00  0.00           O  
HETATM   17  C13 UNL     1      -1.852  -1.869  -0.023  1.00  0.00           C  
HETATM   18  O5  UNL     1      -1.467  -2.777  -0.730  1.00  0.00           O  
HETATM   19  C14 UNL     1      -3.312  -1.545   0.086  1.00  0.00           C  
HETATM   20  C15 UNL     1      -4.118  -2.322  -0.857  1.00  0.00           C  
HETATM   21  N1  UNL     1      -4.181  -3.745  -0.845  1.00  0.00           N  
HETATM   22  O6  UNL     1      -4.799  -1.723  -1.733  1.00  0.00           O  
HETATM   23  C16 UNL     1      -3.424  -0.091  -0.107  1.00  0.00           C  
HETATM   24  O7  UNL     1      -4.545   0.396   0.035  1.00  0.00           O  
HETATM   25  C17 UNL     1      -2.240   0.695  -0.449  1.00  0.00           C  
HETATM   26  N2  UNL     1      -2.457   2.081  -0.682  1.00  0.00           N  
HETATM   27  C18 UNL     1      -3.325   2.255  -1.832  1.00  0.00           C  
HETATM   28  C19 UNL     1      -3.071   2.790   0.406  1.00  0.00           C  
HETATM   29  C20 UNL     1      -1.119   0.446   0.549  1.00  0.00           C  
HETATM   30  C21 UNL     1       0.090   1.226   0.183  1.00  0.00           C  
HETATM   31  O8  UNL     1       0.012   2.510   0.825  1.00  0.00           O  
HETATM   32  C22 UNL     1       1.409   0.688   0.587  1.00  0.00           C  
HETATM   33  H1  UNL     1       2.983   2.816  -1.592  1.00  0.00           H  
HETATM   34  H2  UNL     1       1.277   2.969  -0.895  1.00  0.00           H  
HETATM   35  H3  UNL     1       4.750   2.440  -1.118  1.00  0.00           H  
HETATM   36  H4  UNL     1       6.918   1.407  -1.388  1.00  0.00           H  
HETATM   37  H5  UNL     1       7.179  -0.982  -0.832  1.00  0.00           H  
HETATM   38  H6  UNL     1       4.839  -3.302   0.333  1.00  0.00           H  
HETATM   39  H7  UNL     1      -0.081  -3.506   1.010  1.00  0.00           H  
HETATM   40  H8  UNL     1      -1.242  -2.305   2.228  1.00  0.00           H  
HETATM   41  H9  UNL     1      -3.653  -1.833   1.124  1.00  0.00           H  
HETATM   42  H10 UNL     1      -4.734  -4.270  -0.110  1.00  0.00           H  
HETATM   43  H11 UNL     1      -3.695  -4.330  -1.544  1.00  0.00           H  
HETATM   44  H12 UNL     1      -1.851   0.265  -1.422  1.00  0.00           H  
HETATM   45  H13 UNL     1      -3.034   3.241  -2.297  1.00  0.00           H  
HETATM   46  H14 UNL     1      -4.368   2.385  -1.482  1.00  0.00           H  
HETATM   47  H15 UNL     1      -3.255   1.430  -2.552  1.00  0.00           H  
HETATM   48  H16 UNL     1      -2.721   2.541   1.398  1.00  0.00           H  
HETATM   49  H17 UNL     1      -4.166   2.670   0.385  1.00  0.00           H  
HETATM   50  H18 UNL     1      -2.880   3.886   0.222  1.00  0.00           H  
HETATM   51  H19 UNL     1      -1.512   0.903   1.513  1.00  0.00           H  
HETATM   52  H20 UNL     1       0.097   1.429  -0.916  1.00  0.00           H  
HETATM   53  H21 UNL     1      -0.022   2.295   1.801  1.00  0.00           H  
HETATM   54  H22 UNL     1       1.668   1.041   1.637  1.00  0.00           H  
CONECT    1    2    2   33   34
CONECT    2    3   32
CONECT    3    4    4    9
CONECT    4    5   35
CONECT    5    6    6   36
CONECT    6    7   37
CONECT    7    8    9    9
CONECT    8   38
CONECT    9   10
CONECT   10   11   11   12
CONECT   12   13   13   32
CONECT   13   14   15
CONECT   14   39
CONECT   15   16   17   29
CONECT   16   40
CONECT   17   18   18   19
CONECT   19   20   23   41
CONECT   20   21   22   22
CONECT   21   42   43
CONECT   23   24   24   25
CONECT   25   26   29   44
CONECT   26   27   28
CONECT   27   45   46   47
CONECT   28   48   49   50
CONECT   29   30   51
CONECT   30   31   32   52
CONECT   31   53
CONECT   32   54
END

HMDB0015066
     RDKit          3D
Methacycline
 54 57  0  0  0  0  0  0  0  0999 V2000
    2.1968    2.4017   -0.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4604    1.2970   -0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553    0.6493   -0.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8377    1.3882   -0.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0997    0.8026   -1.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2079   -0.5155   -0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1464   -1.3050   -0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3899   -2.6001    0.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9312   -0.6998   -0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8026   -1.4450    0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8446   -2.6808    0.6661 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4918   -0.7654    0.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135   -1.5058    0.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -2.9045    0.5698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9572   -0.9935    0.7948 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2937   -1.3286    2.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8519   -1.8687   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4672   -2.7771   -0.7303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3124   -1.5451    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1182   -2.3217   -0.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1806   -3.7451   -0.8450 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7990   -1.7227   -1.7334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4243   -0.0913   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5445    0.3956    0.0348 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2403    0.6954   -0.4494 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4567    2.0815   -0.6823 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250    2.2546   -1.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0709    2.7902    0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1189    0.4458    0.5493 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0898    1.2258    0.1834 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0120    2.5104    0.8246 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4094    0.6881    0.5870 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9830    2.8157   -1.5923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2766    2.9690   -0.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7504    2.4396   -1.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9176    1.4071   -1.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1788   -0.9818   -0.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8388   -3.3020    0.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0811   -3.5056    1.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2421   -2.3051    2.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6526   -1.8334    1.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7335   -4.2695   -0.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6948   -4.3297   -1.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8508    0.2651   -1.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0342    3.2406   -2.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3680    2.3854   -1.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2551    1.4299   -2.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207    2.5406    1.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1664    2.6696    0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8796    3.8856    0.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5116    0.9028    1.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0970    1.4295   -0.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0224    2.2952    1.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6676    1.0411    1.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  1
 15 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 19 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 25 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32  2  1  0
  9  3  1  0
 32 12  1  0
 29 15  1  0
  1 33  1  0
  1 34  1  0
  4 35  1  0
  5 36  1  0
  6 37  1  0
  8 38  1  0
 14 39  1  0
 16 40  1  0
 19 41  1  0
 21 42  1  0
 21 43  1  0
 25 44  1  6
 27 45  1  0
 27 46  1  0
 27 47  1  0
 28 48  1  0
 28 49  1  0
 28 50  1  0
 29 51  1  1
 30 52  1  6
 31 53  1  0
 32 54  1  1
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Metacycline	HMDB
Methacyclin	HMDB

Chemical Formula

C₂₂H₂₂N₂O₈

Average Molecular Weight

442.4187

Monoisotopic Molecular Weight

442.13761569

IUPAC Name

(4S,4aR,5S,5aR,12aS)-4-(dimethylamino)-5,10,12,12a-tetrahydroxy-6-methylidene-1,3,11-trioxo-1,2,3,4,4a,5,5a,6,11,12a-decahydrotetracene-2-carboxamide

Traditional Name

methacycline

CAS Registry Number

914-00-1

SMILES

CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)C1=O

InChI Identifier

InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,13-15,17,25,27,29,32H,1H2,2-3H3,(H2,23,31)/t10-,13?,14-,15+,17+,22+/m1/s1

InChI Key

IWFHNYCDKMICPE-LKTMJOCVSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Tetracyclines

Sub Class

Not Available

Direct Parent

Tetracyclines

Alternative Parents

Substituents

Tetracycline
Anthracene carboxylic acid or derivatives
2-naphthalenecarboxamide
Tetralin
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
1,3-diketone
1,3-dicarbonyl compound
Benzenoid
Cyclic alcohol
Tertiary alcohol
Vinylogous acid
Tertiary aliphatic amine
Amino acid or derivatives
Cyclic ketone
Tertiary amine
Carboxamide group
Secondary alcohol
Primary carboxylic acid amide
Ketone
Polyol
Carboxylic acid derivative
Enol
Organic oxide
Organic oxygen compound
Organonitrogen compound
Alcohol
Organooxygen compound
Amine
Carbonyl group
Organic nitrogen compound
Hydrocarbon derivative
Organopnictogen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 21059682)

Excreta

Biofluid or Excreta

Urine (PMID: 21059682)

Cellular substructure

Cytoplasm (HMDB: HMDB0015066)
Extracellular (HMDB: HMDB0015066)

Source

Exogenous

Exogenous (HMDB: HMDB0015066)

Process

Naturally occurring process

Biological process

Biochemical pathway

Drug action pathway

Methacycline Action Pathway (PathBank: SMP0000727)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.73 g/L	Not Available
LogP	-0.3	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.73 g/L	ALOGPS
logP	0.39	ALOGPS
logP	-1.5	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	2.21	ChemAxon
pKa (Strongest Basic)	6.16	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	178.46 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	111.57 m³·mol⁻¹	ChemAxon
Polarizability	42.07 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	201.807	31661259
DarkChem	[M-H]-	194.392	31661259
DeepCCS	[M+H]+	205.09	30932474
DeepCCS	[M-H]-	203.195	30932474
DeepCCS	[M-2H]-	236.436	30932474
DeepCCS	[M+Na]+	210.863	30932474
AllCCS	[M+H]+	200.8	32859911
AllCCS	[M+H-H2O]+	198.4	32859911
AllCCS	[M+NH4]+	202.9	32859911
AllCCS	[M+Na]+	203.5	32859911
AllCCS	[M-H]-	203.8	32859911
AllCCS	[M+Na-2H]-	204.2	32859911
AllCCS	[M+HCOO]-	204.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Methacycline	CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)C1=O	4772.1	Standard polar	33892256
Methacycline	CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)C1=O	3210.5	Standard non polar	33892256
Methacycline	CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)C1=O	3992.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Methacycline,1TMS,isomer #1	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3477.9	Semi standard non polar	33892256
Methacycline,1TMS,isomer #2	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3470.1	Semi standard non polar	33892256
Methacycline,1TMS,isomer #3	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3392.1	Semi standard non polar	33892256
Methacycline,1TMS,isomer #4	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3480.7	Semi standard non polar	33892256
Methacycline,1TMS,isomer #5	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3413.3	Semi standard non polar	33892256
Methacycline,1TMS,isomer #6	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3537.9	Semi standard non polar	33892256
Methacycline,1TMS,isomer #7	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3463.9	Semi standard non polar	33892256
Methacycline,1TMS,isomer #8	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3453.3	Semi standard non polar	33892256
Methacycline,2TMS,isomer #1	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3404.5	Semi standard non polar	33892256
Methacycline,2TMS,isomer #10	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3389.6	Semi standard non polar	33892256
Methacycline,2TMS,isomer #11	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3468.7	Semi standard non polar	33892256
Methacycline,2TMS,isomer #12	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3425.6	Semi standard non polar	33892256
Methacycline,2TMS,isomer #13	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3407.2	Semi standard non polar	33892256
Methacycline,2TMS,isomer #14	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3380.5	Semi standard non polar	33892256
Methacycline,2TMS,isomer #15	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3353.8	Semi standard non polar	33892256
Methacycline,2TMS,isomer #16	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3380.2	Semi standard non polar	33892256
Methacycline,2TMS,isomer #17	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3360.7	Semi standard non polar	33892256
Methacycline,2TMS,isomer #18	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3319.1	Semi standard non polar	33892256
Methacycline,2TMS,isomer #19	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3410.1	Semi standard non polar	33892256
Methacycline,2TMS,isomer #2	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3370.8	Semi standard non polar	33892256
Methacycline,2TMS,isomer #20	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3478.4	Semi standard non polar	33892256
Methacycline,2TMS,isomer #21	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3437.1	Semi standard non polar	33892256
Methacycline,2TMS,isomer #22	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3405.0	Semi standard non polar	33892256
Methacycline,2TMS,isomer #23	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3425.8	Semi standard non polar	33892256
Methacycline,2TMS,isomer #24	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3354.2	Semi standard non polar	33892256
Methacycline,2TMS,isomer #25	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3421.9	Semi standard non polar	33892256
Methacycline,2TMS,isomer #26	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3389.0	Semi standard non polar	33892256
Methacycline,2TMS,isomer #27	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3410.0	Semi standard non polar	33892256
Methacycline,2TMS,isomer #3	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3450.4	Semi standard non polar	33892256
Methacycline,2TMS,isomer #4	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3366.2	Semi standard non polar	33892256
Methacycline,2TMS,isomer #5	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3435.8	Semi standard non polar	33892256
Methacycline,2TMS,isomer #6	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3409.8	Semi standard non polar	33892256
Methacycline,2TMS,isomer #7	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3369.6	Semi standard non polar	33892256
Methacycline,2TMS,isomer #8	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3398.2	Semi standard non polar	33892256
Methacycline,2TMS,isomer #9	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3425.8	Semi standard non polar	33892256
Methacycline,3TMS,isomer #1	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3410.6	Semi standard non polar	33892256
Methacycline,3TMS,isomer #10	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3351.0	Semi standard non polar	33892256
Methacycline,3TMS,isomer #11	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3332.1	Semi standard non polar	33892256
Methacycline,3TMS,isomer #12	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3403.6	Semi standard non polar	33892256
Methacycline,3TMS,isomer #13	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3429.6	Semi standard non polar	33892256
Methacycline,3TMS,isomer #14	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3414.6	Semi standard non polar	33892256
Methacycline,3TMS,isomer #15	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3396.7	Semi standard non polar	33892256
Methacycline,3TMS,isomer #16	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3403.5	Semi standard non polar	33892256
Methacycline,3TMS,isomer #17	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3337.6	Semi standard non polar	33892256
Methacycline,3TMS,isomer #18	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3371.0	Semi standard non polar	33892256
Methacycline,3TMS,isomer #19	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3360.6	Semi standard non polar	33892256
Methacycline,3TMS,isomer #2	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3448.8	Semi standard non polar	33892256
Methacycline,3TMS,isomer #20	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3375.7	Semi standard non polar	33892256
Methacycline,3TMS,isomer #21	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3432.1	Semi standard non polar	33892256
Methacycline,3TMS,isomer #22	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3408.5	Semi standard non polar	33892256
Methacycline,3TMS,isomer #23	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3407.7	Semi standard non polar	33892256
Methacycline,3TMS,isomer #24	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3394.2	Semi standard non polar	33892256
Methacycline,3TMS,isomer #25	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3377.2	Semi standard non polar	33892256
Methacycline,3TMS,isomer #26	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3427.0	Semi standard non polar	33892256
Methacycline,3TMS,isomer #27	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3464.7	Semi standard non polar	33892256
Methacycline,3TMS,isomer #28	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3440.2	Semi standard non polar	33892256
Methacycline,3TMS,isomer #29	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3436.4	Semi standard non polar	33892256
Methacycline,3TMS,isomer #3	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3379.3	Semi standard non polar	33892256
Methacycline,3TMS,isomer #30	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3453.9	Semi standard non polar	33892256
Methacycline,3TMS,isomer #31	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3385.2	Semi standard non polar	33892256
Methacycline,3TMS,isomer #32	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3432.6	Semi standard non polar	33892256
Methacycline,3TMS,isomer #33	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3422.8	Semi standard non polar	33892256
Methacycline,3TMS,isomer #34	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3427.6	Semi standard non polar	33892256
Methacycline,3TMS,isomer #35	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3395.5	Semi standard non polar	33892256
Methacycline,3TMS,isomer #36	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3408.9	Semi standard non polar	33892256
Methacycline,3TMS,isomer #37	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3387.0	Semi standard non polar	33892256
Methacycline,3TMS,isomer #38	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3365.4	Semi standard non polar	33892256
Methacycline,3TMS,isomer #39	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3417.7	Semi standard non polar	33892256
Methacycline,3TMS,isomer #4	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3413.7	Semi standard non polar	33892256
Methacycline,3TMS,isomer #40	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3309.4	Semi standard non polar	33892256
Methacycline,3TMS,isomer #41	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3337.3	Semi standard non polar	33892256
Methacycline,3TMS,isomer #42	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3310.9	Semi standard non polar	33892256
Methacycline,3TMS,isomer #43	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3353.0	Semi standard non polar	33892256
Methacycline,3TMS,isomer #44	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3437.5	Semi standard non polar	33892256
Methacycline,3TMS,isomer #45	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3363.0	Semi standard non polar	33892256
Methacycline,3TMS,isomer #46	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3418.3	Semi standard non polar	33892256
Methacycline,3TMS,isomer #47	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3389.7	Semi standard non polar	33892256
Methacycline,3TMS,isomer #48	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3413.9	Semi standard non polar	33892256
Methacycline,3TMS,isomer #49	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3362.8	Semi standard non polar	33892256
Methacycline,3TMS,isomer #5	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3396.9	Semi standard non polar	33892256
Methacycline,3TMS,isomer #50	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3379.7	Semi standard non polar	33892256
Methacycline,3TMS,isomer #51	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3462.9	Semi standard non polar	33892256
Methacycline,3TMS,isomer #52	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3416.4	Semi standard non polar	33892256
Methacycline,3TMS,isomer #6	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3394.5	Semi standard non polar	33892256
Methacycline,3TMS,isomer #7	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3405.4	Semi standard non polar	33892256
Methacycline,3TMS,isomer #8	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3359.1	Semi standard non polar	33892256
Methacycline,3TMS,isomer #9	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3365.2	Semi standard non polar	33892256
Methacycline,4TMS,isomer #1	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3463.7	Semi standard non polar	33892256
Methacycline,4TMS,isomer #10	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3438.4	Semi standard non polar	33892256
Methacycline,4TMS,isomer #11	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3391.1	Semi standard non polar	33892256
Methacycline,4TMS,isomer #12	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3422.8	Semi standard non polar	33892256
Methacycline,4TMS,isomer #13	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3411.0	Semi standard non polar	33892256
Methacycline,4TMS,isomer #14	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3415.6	Semi standard non polar	33892256
Methacycline,4TMS,isomer #15	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3416.5	Semi standard non polar	33892256
Methacycline,4TMS,isomer #16	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3408.2	Semi standard non polar	33892256
Methacycline,4TMS,isomer #17	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3403.6	Semi standard non polar	33892256
Methacycline,4TMS,isomer #18	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3380.8	Semi standard non polar	33892256
Methacycline,4TMS,isomer #19	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3419.1	Semi standard non polar	33892256
Methacycline,4TMS,isomer #2	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3410.5	Semi standard non polar	33892256
Methacycline,4TMS,isomer #20	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3345.3	Semi standard non polar	33892256
Methacycline,4TMS,isomer #21	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3366.2	Semi standard non polar	33892256
Methacycline,4TMS,isomer #22	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3334.7	Semi standard non polar	33892256
Methacycline,4TMS,isomer #23	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3371.6	Semi standard non polar	33892256
Methacycline,4TMS,isomer #24	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3437.1	Semi standard non polar	33892256
Methacycline,4TMS,isomer #25	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3378.7	Semi standard non polar	33892256
Methacycline,4TMS,isomer #26	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3410.5	Semi standard non polar	33892256
Methacycline,4TMS,isomer #27	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3390.2	Semi standard non polar	33892256
Methacycline,4TMS,isomer #28	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3400.5	Semi standard non polar	33892256
Methacycline,4TMS,isomer #29	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3356.7	Semi standard non polar	33892256
Methacycline,4TMS,isomer #3	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3412.5	Semi standard non polar	33892256
Methacycline,4TMS,isomer #30	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3381.5	Semi standard non polar	33892256
Methacycline,4TMS,isomer #31	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3428.4	Semi standard non polar	33892256
Methacycline,4TMS,isomer #32	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3404.3	Semi standard non polar	33892256
Methacycline,4TMS,isomer #33	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3447.1	Semi standard non polar	33892256
Methacycline,4TMS,isomer #34	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3454.8	Semi standard non polar	33892256
Methacycline,4TMS,isomer #35	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3435.8	Semi standard non polar	33892256
Methacycline,4TMS,isomer #36	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3434.6	Semi standard non polar	33892256
Methacycline,4TMS,isomer #37	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3462.8	Semi standard non polar	33892256
Methacycline,4TMS,isomer #38	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3394.6	Semi standard non polar	33892256
Methacycline,4TMS,isomer #39	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3405.4	Semi standard non polar	33892256
Methacycline,4TMS,isomer #4	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3400.7	Semi standard non polar	33892256
Methacycline,4TMS,isomer #40	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3392.8	Semi standard non polar	33892256
Methacycline,4TMS,isomer #41	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3430.9	Semi standard non polar	33892256
Methacycline,4TMS,isomer #42	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3466.2	Semi standard non polar	33892256
Methacycline,4TMS,isomer #43	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3417.0	Semi standard non polar	33892256
Methacycline,4TMS,isomer #44	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3463.6	Semi standard non polar	33892256
Methacycline,4TMS,isomer #45	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3444.0	Semi standard non polar	33892256
Methacycline,4TMS,isomer #46	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3455.0	Semi standard non polar	33892256
Methacycline,4TMS,isomer #47	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3405.3	Semi standard non polar	33892256
Methacycline,4TMS,isomer #48	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3416.7	Semi standard non polar	33892256
Methacycline,4TMS,isomer #49	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3494.3	Semi standard non polar	33892256
Methacycline,4TMS,isomer #5	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3398.5	Semi standard non polar	33892256
Methacycline,4TMS,isomer #50	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3450.1	Semi standard non polar	33892256
Methacycline,4TMS,isomer #51	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3442.3	Semi standard non polar	33892256
Methacycline,4TMS,isomer #52	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3372.3	Semi standard non polar	33892256
Methacycline,4TMS,isomer #53	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3400.3	Semi standard non polar	33892256
Methacycline,4TMS,isomer #54	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3363.7	Semi standard non polar	33892256
Methacycline,4TMS,isomer #55	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3391.1	Semi standard non polar	33892256
Methacycline,4TMS,isomer #56	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3350.4	Semi standard non polar	33892256
Methacycline,4TMS,isomer #57	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3382.2	Semi standard non polar	33892256
Methacycline,4TMS,isomer #58	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3409.6	Semi standard non polar	33892256
Methacycline,4TMS,isomer #59	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3382.5	Semi standard non polar	33892256
Methacycline,4TMS,isomer #6	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3435.0	Semi standard non polar	33892256
Methacycline,4TMS,isomer #60	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3374.4	Semi standard non polar	33892256
Methacycline,4TMS,isomer #61	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3400.0	Semi standard non polar	33892256
Methacycline,4TMS,isomer #62	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3452.7	Semi standard non polar	33892256
Methacycline,4TMS,isomer #63	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3423.0	Semi standard non polar	33892256
Methacycline,4TMS,isomer #64	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3455.0	Semi standard non polar	33892256
Methacycline,4TMS,isomer #7	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3443.1	Semi standard non polar	33892256
Methacycline,4TMS,isomer #8	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3440.0	Semi standard non polar	33892256
Methacycline,4TMS,isomer #9	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3431.6	Semi standard non polar	33892256
Methacycline,5TMS,isomer #1	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3466.7	Semi standard non polar	33892256
Methacycline,5TMS,isomer #1	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3548.1	Standard non polar	33892256
Methacycline,5TMS,isomer #1	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4444.4	Standard polar	33892256
Methacycline,5TMS,isomer #10	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3468.0	Semi standard non polar	33892256
Methacycline,5TMS,isomer #10	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3484.3	Standard non polar	33892256
Methacycline,5TMS,isomer #10	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4521.4	Standard polar	33892256
Methacycline,5TMS,isomer #11	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3448.4	Semi standard non polar	33892256
Methacycline,5TMS,isomer #11	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3666.5	Standard non polar	33892256
Methacycline,5TMS,isomer #11	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3941.4	Standard polar	33892256
Methacycline,5TMS,isomer #12	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3473.0	Semi standard non polar	33892256
Methacycline,5TMS,isomer #12	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3671.3	Standard non polar	33892256
Methacycline,5TMS,isomer #12	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4034.1	Standard polar	33892256
Methacycline,5TMS,isomer #13	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3461.4	Semi standard non polar	33892256
Methacycline,5TMS,isomer #13	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3639.5	Standard non polar	33892256
Methacycline,5TMS,isomer #13	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3946.2	Standard polar	33892256
Methacycline,5TMS,isomer #14	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3464.2	Semi standard non polar	33892256
Methacycline,5TMS,isomer #14	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3826.4	Standard non polar	33892256
Methacycline,5TMS,isomer #14	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3887.4	Standard polar	33892256
Methacycline,5TMS,isomer #15	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3421.5	Semi standard non polar	33892256
Methacycline,5TMS,isomer #15	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3583.9	Standard non polar	33892256
Methacycline,5TMS,isomer #15	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4180.2	Standard polar	33892256
Methacycline,5TMS,isomer #16	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3427.4	Semi standard non polar	33892256
Methacycline,5TMS,isomer #16	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3457.8	Standard non polar	33892256
Methacycline,5TMS,isomer #16	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4074.0	Standard polar	33892256
Methacycline,5TMS,isomer #17	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3490.2	Semi standard non polar	33892256
Methacycline,5TMS,isomer #17	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3787.1	Standard non polar	33892256
Methacycline,5TMS,isomer #17	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4204.6	Standard polar	33892256
Methacycline,5TMS,isomer #18	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3452.1	Semi standard non polar	33892256
Methacycline,5TMS,isomer #18	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3429.6	Standard non polar	33892256
Methacycline,5TMS,isomer #18	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4080.6	Standard polar	33892256
Methacycline,5TMS,isomer #19	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3461.0	Semi standard non polar	33892256
Methacycline,5TMS,isomer #19	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3496.2	Standard non polar	33892256
Methacycline,5TMS,isomer #19	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4576.3	Standard polar	33892256
Methacycline,5TMS,isomer #2	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3472.1	Semi standard non polar	33892256
Methacycline,5TMS,isomer #2	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3508.2	Standard non polar	33892256
Methacycline,5TMS,isomer #2	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4467.7	Standard polar	33892256
Methacycline,5TMS,isomer #20	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3417.6	Semi standard non polar	33892256
Methacycline,5TMS,isomer #20	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3663.4	Standard non polar	33892256
Methacycline,5TMS,isomer #20	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3963.5	Standard polar	33892256
Methacycline,5TMS,isomer #21	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3429.9	Semi standard non polar	33892256
Methacycline,5TMS,isomer #21	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3692.6	Standard non polar	33892256
Methacycline,5TMS,isomer #21	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4039.4	Standard polar	33892256
Methacycline,5TMS,isomer #22	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3407.8	Semi standard non polar	33892256
Methacycline,5TMS,isomer #22	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3637.0	Standard non polar	33892256
Methacycline,5TMS,isomer #22	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3954.2	Standard polar	33892256
Methacycline,5TMS,isomer #23	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3428.2	Semi standard non polar	33892256
Methacycline,5TMS,isomer #23	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3846.3	Standard non polar	33892256
Methacycline,5TMS,isomer #23	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3888.1	Standard polar	33892256
Methacycline,5TMS,isomer #24	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3382.0	Semi standard non polar	33892256
Methacycline,5TMS,isomer #24	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3593.2	Standard non polar	33892256
Methacycline,5TMS,isomer #24	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4161.8	Standard polar	33892256
Methacycline,5TMS,isomer #25	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3405.3	Semi standard non polar	33892256
Methacycline,5TMS,isomer #25	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3491.3	Standard non polar	33892256
Methacycline,5TMS,isomer #25	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4049.0	Standard polar	33892256
Methacycline,5TMS,isomer #26	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3440.7	Semi standard non polar	33892256
Methacycline,5TMS,isomer #26	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3812.3	Standard non polar	33892256
Methacycline,5TMS,isomer #26	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4207.6	Standard polar	33892256
Methacycline,5TMS,isomer #27	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3403.2	Semi standard non polar	33892256
Methacycline,5TMS,isomer #27	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3459.8	Standard non polar	33892256
Methacycline,5TMS,isomer #27	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4040.7	Standard polar	33892256
Methacycline,5TMS,isomer #28	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3397.4	Semi standard non polar	33892256
Methacycline,5TMS,isomer #28	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3609.1	Standard non polar	33892256
Methacycline,5TMS,isomer #28	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4167.8	Standard polar	33892256
Methacycline,5TMS,isomer #29	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3422.9	Semi standard non polar	33892256
Methacycline,5TMS,isomer #29	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3514.0	Standard non polar	33892256
Methacycline,5TMS,isomer #29	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4052.7	Standard polar	33892256
Methacycline,5TMS,isomer #3	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3454.3	Semi standard non polar	33892256
Methacycline,5TMS,isomer #3	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3515.2	Standard non polar	33892256
Methacycline,5TMS,isomer #3	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4436.0	Standard polar	33892256
Methacycline,5TMS,isomer #30	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3457.7	Semi standard non polar	33892256
Methacycline,5TMS,isomer #30	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3830.1	Standard non polar	33892256
Methacycline,5TMS,isomer #30	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4146.7	Standard polar	33892256
Methacycline,5TMS,isomer #31	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3437.5	Semi standard non polar	33892256
Methacycline,5TMS,isomer #31	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3494.8	Standard non polar	33892256
Methacycline,5TMS,isomer #31	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4050.9	Standard polar	33892256
Methacycline,5TMS,isomer #32	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3456.9	Semi standard non polar	33892256
Methacycline,5TMS,isomer #32	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3477.5	Standard non polar	33892256
Methacycline,5TMS,isomer #32	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4293.8	Standard polar	33892256
Methacycline,5TMS,isomer #33	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3481.6	Semi standard non polar	33892256
Methacycline,5TMS,isomer #33	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3522.4	Standard non polar	33892256
Methacycline,5TMS,isomer #33	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4534.2	Standard polar	33892256
Methacycline,5TMS,isomer #34	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3453.4	Semi standard non polar	33892256
Methacycline,5TMS,isomer #34	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3697.5	Standard non polar	33892256
Methacycline,5TMS,isomer #34	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3957.5	Standard polar	33892256
Methacycline,5TMS,isomer #35	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3478.4	Semi standard non polar	33892256
Methacycline,5TMS,isomer #35	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3705.9	Standard non polar	33892256
Methacycline,5TMS,isomer #35	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4038.0	Standard polar	33892256
Methacycline,5TMS,isomer #36	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3448.8	Semi standard non polar	33892256
Methacycline,5TMS,isomer #36	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3670.4	Standard non polar	33892256
Methacycline,5TMS,isomer #36	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3954.4	Standard polar	33892256
Methacycline,5TMS,isomer #37	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3468.2	Semi standard non polar	33892256
Methacycline,5TMS,isomer #37	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3857.5	Standard non polar	33892256
Methacycline,5TMS,isomer #37	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3888.9	Standard polar	33892256
Methacycline,5TMS,isomer #38	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3432.4	Semi standard non polar	33892256
Methacycline,5TMS,isomer #38	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3622.2	Standard non polar	33892256
Methacycline,5TMS,isomer #38	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4153.4	Standard polar	33892256
Methacycline,5TMS,isomer #39	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3445.8	Semi standard non polar	33892256
Methacycline,5TMS,isomer #39	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3480.2	Standard non polar	33892256
Methacycline,5TMS,isomer #39	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4043.5	Standard polar	33892256
Methacycline,5TMS,isomer #4	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3463.3	Semi standard non polar	33892256
Methacycline,5TMS,isomer #4	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3700.3	Standard non polar	33892256
Methacycline,5TMS,isomer #4	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3799.7	Standard polar	33892256
Methacycline,5TMS,isomer #40	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3490.7	Semi standard non polar	33892256
Methacycline,5TMS,isomer #40	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3824.6	Standard non polar	33892256
Methacycline,5TMS,isomer #40	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4203.3	Standard polar	33892256
Methacycline,5TMS,isomer #41	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3447.1	Semi standard non polar	33892256
Methacycline,5TMS,isomer #41	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3451.3	Standard non polar	33892256
Methacycline,5TMS,isomer #41	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4042.1	Standard polar	33892256
Methacycline,5TMS,isomer #42	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3439.0	Semi standard non polar	33892256
Methacycline,5TMS,isomer #42	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3633.0	Standard non polar	33892256
Methacycline,5TMS,isomer #42	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4149.5	Standard polar	33892256
Methacycline,5TMS,isomer #43	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3447.2	Semi standard non polar	33892256
Methacycline,5TMS,isomer #43	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3495.3	Standard non polar	33892256
Methacycline,5TMS,isomer #43	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4035.9	Standard polar	33892256
Methacycline,5TMS,isomer #44	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3515.7	Semi standard non polar	33892256
Methacycline,5TMS,isomer #44	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3837.7	Standard non polar	33892256
Methacycline,5TMS,isomer #44	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4128.1	Standard polar	33892256
Methacycline,5TMS,isomer #45	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3472.6	Semi standard non polar	33892256
Methacycline,5TMS,isomer #45	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3480.0	Standard non polar	33892256
Methacycline,5TMS,isomer #45	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4034.7	Standard polar	33892256
Methacycline,5TMS,isomer #46	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3491.4	Semi standard non polar	33892256
Methacycline,5TMS,isomer #46	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3473.4	Standard non polar	33892256
Methacycline,5TMS,isomer #46	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4268.8	Standard polar	33892256
Methacycline,5TMS,isomer #47	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3391.5	Semi standard non polar	33892256
Methacycline,5TMS,isomer #47	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3646.1	Standard non polar	33892256
Methacycline,5TMS,isomer #47	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4184.6	Standard polar	33892256
Methacycline,5TMS,isomer #48	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3419.7	Semi standard non polar	33892256
Methacycline,5TMS,isomer #48	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3537.6	Standard non polar	33892256
Methacycline,5TMS,isomer #48	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4062.2	Standard polar	33892256
Methacycline,5TMS,isomer #49	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3456.5	Semi standard non polar	33892256
Methacycline,5TMS,isomer #49	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3865.8	Standard non polar	33892256
Methacycline,5TMS,isomer #49	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4150.0	Standard polar	33892256
Methacycline,5TMS,isomer #5	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3464.4	Semi standard non polar	33892256
Methacycline,5TMS,isomer #5	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3469.9	Standard non polar	33892256
Methacycline,5TMS,isomer #5	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4488.6	Standard polar	33892256
Methacycline,5TMS,isomer #50	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3416.5	Semi standard non polar	33892256
Methacycline,5TMS,isomer #50	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3519.1	Standard non polar	33892256
Methacycline,5TMS,isomer #50	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4055.1	Standard polar	33892256
Methacycline,5TMS,isomer #51	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3466.7	Semi standard non polar	33892256
Methacycline,5TMS,isomer #51	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3511.9	Standard non polar	33892256
Methacycline,5TMS,isomer #51	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4261.5	Standard polar	33892256
Methacycline,5TMS,isomer #52	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3465.1	Semi standard non polar	33892256
Methacycline,5TMS,isomer #52	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3525.6	Standard non polar	33892256
Methacycline,5TMS,isomer #52	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4263.2	Standard polar	33892256
Methacycline,5TMS,isomer #6	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3435.1	Semi standard non polar	33892256
Methacycline,5TMS,isomer #6	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3644.9	Standard non polar	33892256
Methacycline,5TMS,isomer #6	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3943.2	Standard polar	33892256
Methacycline,5TMS,isomer #7	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3449.4	Semi standard non polar	33892256
Methacycline,5TMS,isomer #7	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3651.4	Standard non polar	33892256
Methacycline,5TMS,isomer #7	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4103.0	Standard polar	33892256
Methacycline,5TMS,isomer #8	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3425.3	Semi standard non polar	33892256
Methacycline,5TMS,isomer #8	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3601.6	Standard non polar	33892256
Methacycline,5TMS,isomer #8	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3940.1	Standard polar	33892256
Methacycline,5TMS,isomer #9	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3454.2	Semi standard non polar	33892256
Methacycline,5TMS,isomer #9	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3809.2	Standard non polar	33892256
Methacycline,5TMS,isomer #9	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3963.0	Standard polar	33892256
Methacycline,6TMS,isomer #1	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3506.9	Semi standard non polar	33892256
Methacycline,6TMS,isomer #1	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3500.9	Standard non polar	33892256
Methacycline,6TMS,isomer #1	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4407.7	Standard polar	33892256
Methacycline,6TMS,isomer #10	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3479.6	Semi standard non polar	33892256
Methacycline,6TMS,isomer #10	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3611.4	Standard non polar	33892256
Methacycline,6TMS,isomer #10	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3945.0	Standard polar	33892256
Methacycline,6TMS,isomer #11	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3477.2	Semi standard non polar	33892256
Methacycline,6TMS,isomer #11	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3467.4	Standard non polar	33892256
Methacycline,6TMS,isomer #11	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3824.3	Standard polar	33892256
Methacycline,6TMS,isomer #12	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3531.4	Semi standard non polar	33892256
Methacycline,6TMS,isomer #12	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3833.0	Standard non polar	33892256
Methacycline,6TMS,isomer #12	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3909.0	Standard polar	33892256
Methacycline,6TMS,isomer #13	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3495.4	Semi standard non polar	33892256
Methacycline,6TMS,isomer #13	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3454.4	Standard non polar	33892256
Methacycline,6TMS,isomer #13	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3825.6	Standard polar	33892256
Methacycline,6TMS,isomer #14	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3505.1	Semi standard non polar	33892256
Methacycline,6TMS,isomer #14	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3449.0	Standard non polar	33892256
Methacycline,6TMS,isomer #14	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4063.2	Standard polar	33892256
Methacycline,6TMS,isomer #15	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3456.0	Semi standard non polar	33892256
Methacycline,6TMS,isomer #15	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3623.3	Standard non polar	33892256
Methacycline,6TMS,isomer #15	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3964.7	Standard polar	33892256
Methacycline,6TMS,isomer #16	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3455.4	Semi standard non polar	33892256
Methacycline,6TMS,isomer #16	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3512.9	Standard non polar	33892256
Methacycline,6TMS,isomer #16	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3838.3	Standard polar	33892256
Methacycline,6TMS,isomer #17	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3492.5	Semi standard non polar	33892256
Methacycline,6TMS,isomer #17	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3855.3	Standard non polar	33892256
Methacycline,6TMS,isomer #17	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3911.2	Standard polar	33892256
Methacycline,6TMS,isomer #18	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3451.7	Semi standard non polar	33892256
Methacycline,6TMS,isomer #18	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3494.2	Standard non polar	33892256
Methacycline,6TMS,isomer #18	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3829.6	Standard polar	33892256
Methacycline,6TMS,isomer #19	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3483.7	Semi standard non polar	33892256
Methacycline,6TMS,isomer #19	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3487.9	Standard non polar	33892256
Methacycline,6TMS,isomer #19	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4036.5	Standard polar	33892256
Methacycline,6TMS,isomer #2	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3502.4	Semi standard non polar	33892256
Methacycline,6TMS,isomer #2	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3671.7	Standard non polar	33892256
Methacycline,6TMS,isomer #2	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3773.0	Standard polar	33892256
Methacycline,6TMS,isomer #20	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3482.6	Semi standard non polar	33892256
Methacycline,6TMS,isomer #20	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3505.1	Standard non polar	33892256
Methacycline,6TMS,isomer #20	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	4045.2	Standard polar	33892256
Methacycline,6TMS,isomer #21	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3487.7	Semi standard non polar	33892256
Methacycline,6TMS,isomer #21	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3646.2	Standard non polar	33892256
Methacycline,6TMS,isomer #21	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3955.0	Standard polar	33892256
Methacycline,6TMS,isomer #22	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3487.0	Semi standard non polar	33892256
Methacycline,6TMS,isomer #22	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3496.9	Standard non polar	33892256
Methacycline,6TMS,isomer #22	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3828.2	Standard polar	33892256
Methacycline,6TMS,isomer #23	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3542.1	Semi standard non polar	33892256
Methacycline,6TMS,isomer #23	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3870.1	Standard non polar	33892256
Methacycline,6TMS,isomer #23	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3905.8	Standard polar	33892256
Methacycline,6TMS,isomer #24	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3484.4	Semi standard non polar	33892256
Methacycline,6TMS,isomer #24	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3483.8	Standard non polar	33892256
Methacycline,6TMS,isomer #24	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3825.2	Standard polar	33892256
Methacycline,6TMS,isomer #25	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3525.0	Semi standard non polar	33892256
Methacycline,6TMS,isomer #25	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3480.9	Standard non polar	33892256
Methacycline,6TMS,isomer #25	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4032.2	Standard polar	33892256
Methacycline,6TMS,isomer #26	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3514.2	Semi standard non polar	33892256
Methacycline,6TMS,isomer #26	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3494.7	Standard non polar	33892256
Methacycline,6TMS,isomer #26	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4030.5	Standard polar	33892256
Methacycline,6TMS,isomer #27	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3486.8	Semi standard non polar	33892256
Methacycline,6TMS,isomer #27	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3538.7	Standard non polar	33892256
Methacycline,6TMS,isomer #27	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4049.9	Standard polar	33892256
Methacycline,6TMS,isomer #3	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3518.3	Semi standard non polar	33892256
Methacycline,6TMS,isomer #3	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3690.0	Standard non polar	33892256
Methacycline,6TMS,isomer #3	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3834.8	Standard polar	33892256
Methacycline,6TMS,isomer #4	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3495.6	Semi standard non polar	33892256
Methacycline,6TMS,isomer #4	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3646.1	Standard non polar	33892256
Methacycline,6TMS,isomer #4	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3766.4	Standard polar	33892256
Methacycline,6TMS,isomer #5	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3514.9	Semi standard non polar	33892256
Methacycline,6TMS,isomer #5	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3855.5	Standard non polar	33892256
Methacycline,6TMS,isomer #5	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O[Si](C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3704.6	Standard polar	33892256
Methacycline,6TMS,isomer #6	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3479.6	Semi standard non polar	33892256
Methacycline,6TMS,isomer #6	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3598.5	Standard non polar	33892256
Methacycline,6TMS,isomer #6	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3942.2	Standard polar	33892256
Methacycline,6TMS,isomer #7	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3473.5	Semi standard non polar	33892256
Methacycline,6TMS,isomer #7	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3454.4	Standard non polar	33892256
Methacycline,6TMS,isomer #7	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3825.4	Standard polar	33892256
Methacycline,6TMS,isomer #8	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3523.0	Semi standard non polar	33892256
Methacycline,6TMS,isomer #8	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3813.0	Standard non polar	33892256
Methacycline,6TMS,isomer #8	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3972.6	Standard polar	33892256
Methacycline,6TMS,isomer #9	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3471.2	Semi standard non polar	33892256
Methacycline,6TMS,isomer #9	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3425.0	Standard non polar	33892256
Methacycline,6TMS,isomer #9	C=C1C2=CC=CC(O[Si](C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C)[C@H]12	3820.4	Standard polar	33892256
Methacycline,1TBDMS,isomer #1	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3677.0	Semi standard non polar	33892256
Methacycline,1TBDMS,isomer #2	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3677.1	Semi standard non polar	33892256
Methacycline,1TBDMS,isomer #3	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3643.0	Semi standard non polar	33892256
Methacycline,1TBDMS,isomer #4	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3681.9	Semi standard non polar	33892256
Methacycline,1TBDMS,isomer #5	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3672.0	Semi standard non polar	33892256
Methacycline,1TBDMS,isomer #6	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3784.6	Semi standard non polar	33892256
Methacycline,1TBDMS,isomer #7	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3720.8	Semi standard non polar	33892256
Methacycline,1TBDMS,isomer #8	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3708.1	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #1	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3820.7	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #10	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3824.1	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #11	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3882.7	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #12	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3859.0	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #13	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3841.2	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #14	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3809.4	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #15	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3820.2	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #16	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3841.2	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #17	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3824.9	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #18	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3776.4	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #19	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3842.6	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #2	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3807.4	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #20	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3897.4	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #21	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3876.0	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #22	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3826.7	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #23	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3859.0	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #24	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3791.6	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #25	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3859.2	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #26	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3829.8	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #27	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3874.0	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #3	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3855.0	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #4	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3815.3	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #5	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3866.5	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #6	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3855.5	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #7	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3798.2	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #8	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3840.2	Semi standard non polar	33892256
Methacycline,2TBDMS,isomer #9	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3827.0	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #1	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4009.4	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #10	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3961.8	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #11	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3913.1	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #12	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3988.6	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #13	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4035.4	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #14	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4010.0	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #15	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3963.3	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #16	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3993.9	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #17	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3919.3	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #18	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3966.8	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #19	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3952.8	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #2	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4013.1	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #20	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4029.2	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #21	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4014.3	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #22	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4000.5	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #23	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4023.1	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #24	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4003.3	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #25	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3983.2	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #26	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3992.1	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #27	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4048.8	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #28	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4017.7	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #29	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3998.6	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #3	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3968.4	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #30	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4017.7	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #31	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3954.5	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #32	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4016.2	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #33	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3999.0	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #34	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4085.7	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #35	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3975.5	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #36	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4021.9	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #37	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3981.4	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #38	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3940.9	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #39	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3986.6	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #4	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4020.2	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #40	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3913.1	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #41	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3926.4	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #42	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3912.4	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #43	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3996.6	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #44	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4026.6	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #45	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3942.5	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #46	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4003.3	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #47	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3972.2	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #48	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4040.9	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #49	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	3916.7	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #5	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4003.1	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #50	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	3976.2	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #51	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4053.4	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #52	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4007.4	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #6	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3979.0	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #7	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3996.1	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #8	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3956.6	Semi standard non polar	33892256
Methacycline,3TBDMS,isomer #9	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	3985.1	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #1	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4200.6	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #10	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4159.0	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #11	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4103.1	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #12	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4136.2	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #13	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4132.1	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #14	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4229.9	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #15	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4149.6	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #16	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4155.3	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #17	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4144.2	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #18	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4068.6	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #19	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4125.7	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #2	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4153.5	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #20	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4050.7	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #21	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4066.3	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #22	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4048.1	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #23	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4154.7	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #24	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4152.2	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #25	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4084.0	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #26	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4129.2	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #27	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4100.7	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #28	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4181.7	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #29	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4041.5	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #3	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4165.4	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #30	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4145.0	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #31	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4189.4	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #32	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4167.3	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #33	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4172.0	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #34	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4194.6	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #35	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4174.3	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #36	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4137.7	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #37	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4167.3	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #38	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4119.7	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #39	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4113.0	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #4	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4161.3	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #40	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4114.9	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #41	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4230.8	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #42	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4187.2	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #43	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4117.0	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #44	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4162.1	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #45	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4143.3	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #46	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4228.7	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #47	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4075.2	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #48	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4171.4	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #49	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4241.1	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #5	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4111.0	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #50	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4206.9	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #51	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4150.6	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #52	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4074.0	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #53	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4105.4	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #54	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4077.7	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #55	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4162.6	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #56	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4028.1	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #57	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4132.3	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #58	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4149.1	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #59	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O[Si](C)(C)C(C)(C)C)[C@]3(O)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4120.8	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #6	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4159.5	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #60	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4069.9	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #61	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4139.5	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #62	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4195.2	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #63	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	4158.7	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #64	C=C1C2=CC=CC(O)=C2C(=O)C2=C(O)[C@]3(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O)[C@H]12	4133.1	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #7	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)C(O[Si](C)(C)C(C)(C)C)=C(N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4188.1	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #8	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4172.6	Semi standard non polar	33892256
Methacycline,4TBDMS,isomer #9	C=C1C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C2=C(O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]12	4131.0	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (Non-derivatized) - 70eV, Positive	splash10-0f6w-6493300000-ed2bff4e67abd56cbb4a	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (3 TMS) - 70eV, Positive	splash10-0007-1732519000-1959eec7fc4de17f2b8d	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TMS_3_35) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TMS_4_15) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TMS_4_33) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TMS_4_51) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TMS_4_52) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TMS_4_57) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TMS_4_61) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TMS_4_64) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TBDMS_3_35) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TBDMS_4_15) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TBDMS_4_33) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TBDMS_4_51) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TBDMS_4_52) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TBDMS_4_55) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TBDMS_4_57) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TBDMS_4_61) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (TBDMS_4_64) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methacycline GC-MS ("Methacycline,3TMS,#35" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methacycline 10V, Positive-QTOF	splash10-004l-0000900000-0f0e7c486dfd89e42cdf	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methacycline 20V, Positive-QTOF	splash10-0a6r-0101900000-29aab97c2620fad875d5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methacycline 40V, Positive-QTOF	splash10-114i-4798800000-53616fd55bcea82c4439	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methacycline 10V, Negative-QTOF	splash10-0006-0113900000-53614fcf9e0af28211d7	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methacycline 20V, Negative-QTOF	splash10-000t-1329400000-0bcb16e9d2c356437a39	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methacycline 40V, Negative-QTOF	splash10-006x-9243000000-895316640742d9e1724a	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methacycline 10V, Positive-QTOF	splash10-004i-0000900000-c47c1a1ac54774bca086	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methacycline 20V, Positive-QTOF	splash10-004i-0000900000-c5615453c00bd6ed3d7f	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methacycline 40V, Positive-QTOF	splash10-014u-6868900000-fd68712675308a6337a5	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methacycline 10V, Negative-QTOF	splash10-0006-0000900000-2db20c2a119e2237a35e	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methacycline 20V, Negative-QTOF	splash10-0596-3059300000-9ca89a2aa399cdf4cc73	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methacycline 40V, Negative-QTOF	splash10-00r7-5391100000-d79ca5aceeca3106376b	2021-10-11	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Methacycline Action Pathway		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB00931	21059682	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB00931	21059682	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

26329510

KEGG Compound ID

C07654

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Metacycline

METLIN ID

Not Available

PubChem Compound

Not Available

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

Agwuh KN, MacGowan A: Pharmacokinetics and pharmacodynamics of the tetracyclines including glycylcyclines. J Antimicrob Chemother. 2006 Aug;58(2):256-65. Epub 2006 Jul 1. [PubMed:16816396 ]
Li J, Chen L, Wang X, Jin H, Ding L, Zhang K, Zhang H: Determination of tetracyclines residues in honey by on-line solid-phase extraction high-performance liquid chromatography. Talanta. 2008 Jun 15;75(5):1245-52. doi: 10.1016/j.talanta.2008.01.027. Epub 2008 Jan 20. [PubMed:18585209 ]

Showing metabocard for Methacycline (HMDB0015066)

MOL for HMDB0015066 (Methacycline)

3D MOL for HMDB0015066 (Methacycline)

3D SDF for HMDB0015066 (Methacycline)

3D-SDF for HMDB0015066 (Methacycline)

PDB for HMDB0015066 (Methacycline)

3D PDB for HMDB0015066 (Methacycline)

SMILES for HMDB0015066 (Methacycline)

INCHI for HMDB0015066 (Methacycline)

Structure for HMDB0015066 (Methacycline)

3D Structure for HMDB0015066 (Methacycline)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra