Artesunate.cdx
csChFnd80/02221609162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1)
477

>  <Formula> (1)
C19H28O8

>  <MolWeight> (1)
384.42082

>  <Item Name> (1)
Artesunate

>  <Catalog Number> (1)
S2265

>  <Synonyms> (1)
N/A

>  <Target> (1)
Others

>  <Form> (1)
Free Base

>  <URL> (1)
http://www.selleckchem.com/products/Artesunate.html

>  <CAS Number> (1)
88495-63-0

$$$$
Sclareolide.cdx
csChFnd80/02221609162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.5495    2.7875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.1868    3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2)
604

>  <Formula> (2)
C16H26O2

>  <MolWeight> (2)
250.37644

>  <Item Name> (2)
Sclareolide (Norambreinolide)

>  <Catalog Number> (2)
S2355

>  <Synonyms> (2)
Norambreinolide

>  <Target> (2)
Others

>  <Form> (2)
Free Base

>  <URL> (2)
http://www.selleckchem.com/products/Sclareolide(Norambreinolide).html

>  <CAS Number> (2)
564-20-5

$$$$
Shikimic acid.cdx
csChFnd80/02221609162D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3)
605

>  <Formula> (3)
C7H10O5

>  <MolWeight> (3)
174.1513

>  <Item Name> (3)
Shikimic acid (Shikimate)

>  <Catalog Number> (3)
S2356

>  <Synonyms> (3)
Shikimate, Bracken fern toxic component, L-Shikimic acid 

>  <Target> (3)
Others

>  <Form> (3)
Free Base

>  <URL> (3)
http://www.selleckchem.com/products/Shikimic-acid(Shikimate).html

>  <CAS Number> (3)
138-59-0 

$$$$
Silibinin.cdx
csChFnd80/02221609162D

 35 39  0  0  0  0  0  0  0  0999 V2000
    6.0538    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9035    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1159    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4)
606

>  <Formula> (4)
C25H22O10

>  <MolWeight> (4)
482.43618

>  <Item Name> (4)
Silibinin (Silybin)

>  <Catalog Number> (4)
S2357

>  <Synonyms> (4)
Silybin

>  <Target> (4)
Others

>  <Form> (4)
Free Base

>  <URL> (4)
http://www.selleckchem.com/products/Silibinin(Silybin).html

>  <CAS Number> (4)
22888-70-6

$$$$
Silymarin.cdx
csChFnd80/02221609162D

 35 39  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
  6 28  1  0  0  0  0
  1 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7  8  1  0  0  0  0
  8 31  1  0  0  0  0
 31 32  1  0  0  0  0
 20 33  2  0  0  0  0
 24 34  1  0  0  0  0
 26 35  1  0  0  0  0
M  END
>  <Mol_ID> (5)
607

>  <Formula> (5)
C25H22O10

>  <MolWeight> (5)
482.43618

>  <Item Name> (5)
Silymarin (Silybin B)

>  <Catalog Number> (5)
S2358

>  <Synonyms> (5)
Silybin B, Silibinin B

>  <Target> (5)
NULL

>  <Form> (5)
Free Base

>  <URL> (5)
http://www.selleckchem.com/products/Silymarin(Silybin-B).html

>  <CAS Number> (5)
65666-07-1

$$$$
Sinomenine.cdx
csChFnd80/02221609162D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.4207    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    3.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    4.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 12 19  2  0  0  0  0
 18 20  1  0  0  0  0
  9 21  1  6  0  0  0
  7 22  1  6  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
  8 25  1  6  0  0  0
M  END
>  <Mol_ID> (6)
608

>  <Formula> (6)
C19H23NO4

>  <MolWeight> (6)
329.39022

>  <Item Name> (6)
Sinomenine (Cucoline)

>  <Catalog Number> (6)
S2359

>  <Synonyms> (6)
Cucoline, Kukoline, Coculine, Sabianine A 

>  <Target> (6)
Others

>  <Form> (6)
Free Base

>  <URL> (6)
http://www.selleckchem.com/products/Sinomenine(Cucoline).html

>  <CAS Number> (6)
115-53-7

$$$$
Synephrine.cdx
csChFnd80/02221609162D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (7)
610

>  <Formula> (7)
C9H13NO2

>  <MolWeight> (7)
167.20502

>  <Item Name> (7)
Synephrine (Oxedrine)

>  <Catalog Number> (7)
S2362

>  <Synonyms> (7)
Oxedrine, p-Synephrine, Sympatol, Parasympatol, Sympaethamine 

>  <Target> (7)
Androgen Receptor

>  <Form> (7)
Free Base

>  <URL> (7)
http://www.selleckchem.com/products/Synephrine(Oxedrine).html

>  <CAS Number> (7)
94-07-5

$$$$
Tangeretin.cdx
csChFnd80/02221609162D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.5605    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6185    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6185    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4640    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 21  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (8)
611

>  <Formula> (8)
C20H20O7

>  <MolWeight> (8)
372.3686

>  <Item Name> (8)
Tangeretin (Tangeritin)

>  <Catalog Number> (8)
S2363

>  <Synonyms> (8)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (8)
Others

>  <Form> (8)
Free Base

>  <URL> (8)
http://www.selleckchem.com/products/Tangeretin(Tangeritin).html

>  <CAS Number> (8)
481-53-8

$$$$
Tanshinone IIA.cdx
csChFnd80/02221609162D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    5.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    7.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (9)
613

>  <Formula> (9)
C19H18O3

>  <MolWeight> (9)
294.34442

>  <Item Name> (9)
Tanshinone IIA (Tanshinone B)

>  <Catalog Number> (9)
S2365

>  <Synonyms> (9)
Tanshinone B, Tanshinone II

>  <Target> (9)
Others

>  <Form> (9)
Free Base

>  <URL> (9)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

>  <CAS Number> (9)
568-72-9

$$$$
Tetrahydropapaverine hydrochloride.cdx
csChFnd80/02221609162D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3992    1.1618    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (10)
614

>  <Formula> (10)
C20H26ClNO4

>  <MolWeight> (10)
379.87774

>  <Item Name> (10)
Tetrahydropapaverine hydrochloride

>  <Catalog Number> (10)
S2367

>  <Synonyms> (10)
N/A

>  <Target> (10)
Others

>  <Form> (10)
Hydrochloride

>  <URL> (10)
http://www.selleckchem.com/products/Tetrahydropapaverine-hydrochloride.html

>  <CAS Number> (10)
6429-04-5 

$$$$
Troxerutin.cdx
csChFnd80/02221609162D

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    4.8371    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9615    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8413   11.1976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.3200    9.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993   10.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 13  9  1  0  0  0  0
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 26 13  1  6  0  0  0
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 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
  6 33  1  0  0  0  0
  2 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 38  1  6  0  0  0
 38 39  1  0  0  0  0
 40 39  1  6  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 40  1  0  0  0  0
 30 46  1  6  0  0  0
 44 47  1  1  0  0  0
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 41 50  1  1  0  0  0
 31 51  1  1  0  0  0
 29 52  1  1  0  0  0
M  END
>  <Mol_ID> (11)
616

>  <Formula> (11)
C33H42O19

>  <MolWeight> (11)
742.67518

>  <Item Name> (11)
Troxerutin

>  <Catalog Number> (11)
S2369

>  <Synonyms> (11)
Trihydroxyethylrutin, Troxerutin

>  <Target> (11)
Others

>  <Form> (11)
Free Base

>  <URL> (11)
http://www.selleckchem.com/products/Troxerutin.html

>  <CAS Number> (11)
7085-55-4

$$$$
Ursolic acid.cdx
csChFnd80/02221609162D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.0124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9077    6.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
 19 25  1  1  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 22 28  1  1  0  0  0
 18 29  1  1  0  0  0
  9 30  1  1  0  0  0
  5 31  1  1  0  0  0
  2 32  1  1  0  0  0
  4 33  1  6  0  0  0
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 11 35  1  6  0  0  0
 21 36  1  6  0  0  0
M  END
>  <Mol_ID> (12)
617

>  <Formula> (12)
C30H48O3

>  <MolWeight> (12)
456.70032

>  <Item Name> (12)
Ursolic acid (Malol)

>  <Catalog Number> (12)
S2370

>  <Synonyms> (12)
Malol, Prunol, Urson

>  <Target> (12)
Others

>  <Form> (12)
Free Base

>  <URL> (12)
http://www.selleckchem.com/products/Ursolic-acid(Malol).html

>  <CAS Number> (12)
77-52-1

$$$$
Vanillylacetone.cdx
csChFnd80/02221609162D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (13)
618

>  <Formula> (13)
C11H14O3

>  <MolWeight> (13)
194.22706

>  <Item Name> (13)
Vanillylacetone

>  <Catalog Number> (13)
S2371

>  <Synonyms> (13)
N/A

>  <Target> (13)
Others

>  <Form> (13)
Free Base

>  <URL> (13)
http://www.selleckchem.com/products/Vanillylacetone.html

>  <CAS Number> (13)
122-48-5

$$$$
Xanthone.cdx
csChFnd80/02221609162D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (14)
619

>  <Formula> (14)
C13H8O2

>  <MolWeight> (14)
196.20142

>  <Item Name> (14)
Xanthone (Genicide)

>  <Catalog Number> (14)
S2372

>  <Synonyms> (14)
Genicide, Benzophenone oxide, Diphenylene ketone oxide 

>  <Target> (14)
Others

>  <Form> (14)
Free Base

>  <URL> (14)
http://www.selleckchem.com/products/Xanthone(Genicide).html

>  <CAS Number> (14)
90-47-1 

$$$$
Yohimbine hydrochloride.cdx
csChFnd80/02221609162D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.4388    4.7859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    5.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    6.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    6.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    5.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    7.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    7.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    5.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9408    5.3177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.4817    3.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0491    4.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2420    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8773    1.6169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6731    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8874    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1632    1.4463    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 13  3  1  0  0  0  0
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M  END
>  <Mol_ID> (15)
620

>  <Formula> (15)
C21H27ClN2O3

>  <MolWeight> (15)
390.90368

>  <Item Name> (15)
Yohimbine hydrochloride (Antagonil)

>  <Catalog Number> (15)
S2373

>  <Synonyms> (15)
Antagonil, Yohimbe, Aphrodine hydrochloride, Yohimbine monohydrochloride 

>  <Target> (15)
NULL

>  <Form> (15)
Hydrochloride

>  <URL> (15)
http://www.selleckchem.com/products/Yohimbine-hydrochloride(Antagonil).html

>  <CAS Number> (15)
65-19-0 

$$$$
5-HTP.cdx
csChFnd80/02221609162D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
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M  END
>  <Mol_ID> (16)
621

>  <Formula> (16)
C11H12N2O3

>  <MolWeight> (16)
220.22458

>  <Item Name> (16)
5-hydroxytryptophan (5-HTP)

>  <Catalog Number> (16)
S2374

>  <Synonyms> (16)
N/A 

>  <Target> (16)
Others

>  <Form> (16)
Free Base

>  <URL> (16)
http://www.selleckchem.com/products/5-hydroxytryptophan(5-HTP).html

>  <CAS Number> (16)
56-69-9

$$$$
Aloin.cdx
csChFnd80/02221609162D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.6903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 12  1  0  0  0  0
  6 21  1  1  0  0  0
  4 22  1  1  0  0  0
  3 23  1  1  0  0  0
  7 24  1  1  0  0  0
  5 25  1  6  0  0  0
  1 26  1  6  0  0  0
 26 27  1  0  0  0  0
 16 28  1  0  0  0  0
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 19 30  1  0  0  0  0
 30 31  1  0  0  0  0
 10 32  2  0  0  0  0
M  END
>  <Mol_ID> (17)
622

>  <Formula> (17)
C21H22O9

>  <MolWeight> (17)
418.39398

>  <Item Name> (17)
Aloin (Barbaloin)

>  <Catalog Number> (17)
S2375 

>  <Synonyms> (17)
Barbaloin

>  <Target> (17)
Others

>  <Form> (17)
Free Base

>  <URL> (17)
http://www.selleckchem.com/products/Aloin(Barbaloin).html

>  <CAS Number> (17)
1415-73-2 

$$$$
Biochanin A.cdx
csChFnd80/02221609162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 18 13  1  0  0  0  0
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 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (18)
624

>  <Formula> (18)
C16H12O5

>  <MolWeight> (18)
284.26348

>  <Item Name> (18)
Biochanin A (4-Methylgenistein)

>  <Catalog Number> (18)
S2377

>  <Synonyms> (18)
4-Methylgenistein

>  <Target> (18)
Others

>  <Form> (18)
Free Base

>  <URL> (18)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

>  <CAS Number> (18)
491-80-5

$$$$
Dioscin.cdx
csChFnd80/02221609162D

 69 77  0  0  0  0  0  0  0  0999 V2000
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   18.3014   11.4424    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   22.7210   13.7882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   20.3094   13.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (19)
626

>  <Formula> (19)
C45H72O16

>  <MolWeight> (19)
869.04358

>  <Item Name> (19)
Dioscin (Collettiside III)

>  <Catalog Number> (19)
S2379

>  <Synonyms> (19)
Collettiside III, CCRIS 4123 

>  <Target> (19)
Others

>  <Form> (19)
Free Base

>  <URL> (19)
http://www.selleckchem.com/products/Dioscin(Collettiside-III).html

>  <CAS Number> (19)
19057-60-4 

$$$$
Diosmetin.cdx
csChFnd80/02221609162D

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M  END
>  <Mol_ID> (20)
627

>  <Formula> (20)
C16H12O6

>  <MolWeight> (20)
300.26288

>  <Item Name> (20)
Diosmetin (Luteolin 4-methyl ether)

>  <Catalog Number> (20)
S2380

>  <Synonyms> (20)
Luteolin 4-methyl ether

>  <Target> (20)
Others

>  <Form> (20)
Free Base

>  <URL> (20)
http://www.selleckchem.com/products/Diosmetin(Luteolin-4-methyl-ether).html

>  <CAS Number> (20)
520-34-3

$$$$
D-Mannitol.cdx
csChFnd80/02221609162D

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M  END
>  <Mol_ID> (21)
628

>  <Formula> (21)
C6H14O6

>  <MolWeight> (21)
182.17176

>  <Item Name> (21)
D-Mannitol (Osmitrol)

>  <Catalog Number> (21)
S2381 

>  <Synonyms> (21)
Mannitol, Osmitrol, Osmofundin

>  <Target> (21)
Others

>  <Form> (21)
Free Base

>  <URL> (21)
http://www.selleckchem.com/products/D-Mannitol(Osmitrol).html

>  <CAS Number> (21)
69-65-8 

$$$$
Gastrodin.cdx
csChFnd80/02221609162D

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M  END
>  <Mol_ID> (22)
630

>  <Formula> (22)
C13H18O7

>  <MolWeight> (22)
286.27782

>  <Item Name> (22)
Gastrodin (Gastrodine)

>  <Catalog Number> (22)
S2383

>  <Synonyms> (22)
Gastrodine

>  <Target> (22)
Others

>  <Form> (22)
Free Base

>  <URL> (22)
http://www.selleckchem.com/products/Gastrodin(Gastrodine).html

>  <CAS Number> (22)
62499-27-8 

$$$$
Hematoxylin.cdx
csChFnd80/02221609162D

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M  END
>  <Mol_ID> (23)
631

>  <Formula> (23)
C16H14O6

>  <MolWeight> (23)
302.27876

>  <Item Name> (23)
Hematoxylin (Hydroxybrazilin)

>  <Catalog Number> (23)
S2384

>  <Synonyms> (23)
Hydroxybrazilin, Natural Black 1

>  <Target> (23)
Others

>  <Form> (23)
Free Base

>  <URL> (23)
http://www.selleckchem.com/products/Hematoxylin(Hydroxybrazilin).html

>  <CAS Number> (23)
517-28-2

$$$$
Hordenine.cdx
csChFnd80/02221609162D

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    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (24)
632

>  <Formula> (24)
C10H15NO

>  <MolWeight> (24)
165.2322

>  <Item Name> (24)
Hordenine

>  <Catalog Number> (24)
S2385

>  <Synonyms> (24)
N,N-dimethyl-4-hydroxyphenylethylamine 

>  <Target> (24)
Others

>  <Form> (24)
Free Base

>  <URL> (24)
http://www.selleckchem.com/products/Hordenine.html

>  <CAS Number> (24)
539-15-1 

$$$$
Indirubin.cdx
csChFnd80/02221609162D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2683    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6476    4.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (25)
633

>  <Formula> (25)
C16H10N2O2

>  <MolWeight> (25)
262.2628

>  <Item Name> (25)
Indirubin

>  <Catalog Number> (25)
S2386

>  <Synonyms> (25)
N/A

>  <Target> (25)
GSK-3

>  <Form> (25)
Free Base

>  <URL> (25)
http://www.selleckchem.com/products/Indirubin.html

>  <CAS Number> (25)
479-41-4 

$$$$
L-carnitine.cdx
csChFnd80/02221609162D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.4024    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  3  9  1  6  0  0  0
  1 10  1  0  0  0  0
  1 11  2  0  0  0  0
M  END
>  <Mol_ID> (26)
635

>  <Formula> (26)
C7H15NO3

>  <MolWeight> (26)
161.1989

>  <Item Name> (26)
L-carnitine (Levocarnitine)

>  <Catalog Number> (26)
S2388

>  <Synonyms> (26)
Levocarnitine, Carnitor, vitamin BT, Karnitin

>  <Target> (26)
Others

>  <Form> (26)
Free Base

>  <URL> (26)
http://www.selleckchem.com/products/L-carnitine(Levocarnitine).html

>  <CAS Number> (26)
541-15-1

$$$$
Naringin Dihydrochalcone.cdx
csChFnd80/02221609162D

 42 45  0  0  0  0  0  0  0  0999 V2000
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    8.4307    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8562    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6434    6.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6434   10.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0647    6.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0647    9.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2733    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4818    9.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6904    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0647   10.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9032    9.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1159    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3795    6.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5922   11.5523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8296    4.1791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4005    4.1391    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  4  9  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
  1 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
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 25 28  1  1  0  0  0
 27 29  1  0  0  0  0
 26 30  1  6  0  0  0
 30 31  1  0  0  0  0
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 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 31 37  1  1  0  0  0
 35 38  1  1  0  0  0
 33 39  1  1  0  0  0
 32 40  1  1  0  0  0
 34 41  1  6  0  0  0
 24 42  1  6  0  0  0
M  END
>  <Mol_ID> (27)
636

>  <Formula> (27)
C27H34O14

>  <MolWeight> (27)
582.55046

>  <Item Name> (27)
Naringin Dihydrochalcone (Naringin DC)

>  <Catalog Number> (27)
S2389 

>  <Synonyms> (27)
Naringin DC

>  <Target> (27)
Others

>  <Form> (27)
Free Base

>  <URL> (27)
http://www.selleckchem.com/products/Naringin-Dihydrochalcone(Naringin-DC).html

>  <CAS Number> (27)
18916-17-1

$$$$
Polydatin.cdx
csChFnd80/02221609162D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
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 15 16  2  0  0  0  0
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 20 23  1  0  0  0  0
  6 24  1  1  0  0  0
  2 25  1  1  0  0  0
  1 26  1  6  0  0  0
  3 27  1  6  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (28)
637

>  <Formula> (28)
C20H22O8

>  <MolWeight> (28)
390.38388

>  <Item Name> (28)
Polydatin(Piceid)

>  <Catalog Number> (28)
S2390

>  <Synonyms> (28)
Piceid, 3,4,5-Tsg, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside 

>  <Target> (28)
Others

>  <Form> (28)
Free Base

>  <URL> (28)
http://www.selleckchem.com/products/Polydatin(Piceid).html

>  <CAS Number> (28)
65914-17-2

$$$$
Quercetin.cdx
csChFnd80/02221609162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
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 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (29)
638

>  <Formula> (29)
C15H10O7

>  <MolWeight> (29)
302.2357

>  <Item Name> (29)
Quercetin (Sophoretin)

>  <Catalog Number> (29)
S2391

>  <Synonyms> (29)
Meletin, Quercetine

>  <Target> (29)
PI3K, PKC, Src, Sirtuin

>  <Form> (29)
Free Base

>  <URL> (29)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

>  <CAS Number> (29)
117-39-5

$$$$
Sesamin.cdx
csChFnd80/02221609162D

 28 33  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9999    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1691    5.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5944    7.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4618    8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1828    7.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7270    5.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6638    6.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9638    7.6801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
 14 18  1  6  0  0  0
 13 19  1  6  0  0  0
 15 20  1  6  0  0  0
 20 21  2  0  0  0  0
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 25 20  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (30)
639

>  <Formula> (30)
C20H18O6

>  <MolWeight> (30)
354.35332

>  <Item Name> (30)
Sesamin (Fagarol)

>  <Catalog Number> (30)
S2392

>  <Synonyms> (30)
Fagarol, Sezamin

>  <Target> (30)
Others

>  <Form> (30)
Free Base

>  <URL> (30)
http://www.selleckchem.com/products/Sesamin(Fagarol).html

>  <CAS Number> (30)
607-80-7

$$$$
Sorbitol.cdx
csChFnd80/02221609162D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  6  0  0  0
  4 10  1  1  0  0  0
  5 11  1  1  0  0  0
  6 12  1  1  0  0  0
M  END
>  <Mol_ID> (31)
640

>  <Formula> (31)
C6H14O6

>  <MolWeight> (31)
182.17176

>  <Item Name> (31)
Sorbitol (Glucitol)

>  <Catalog Number> (31)
S2393

>  <Synonyms> (31)
Glucitol 

>  <Target> (31)
Others

>  <Form> (31)
Free Base

>  <URL> (31)
http://www.selleckchem.com/products/Sorbitol(Glucitol).html

>  <CAS Number> (31)
50-70-4 

$$$$
Naringenin.cdx
csChFnd80/02221609162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  6  0  0  0
 14 15  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (32)
641

>  <Formula> (32)
C15H12O5

>  <MolWeight> (32)
272.25278

>  <Item Name> (32)
Naringenin

>  <Catalog Number> (32)
S2394

>  <Synonyms> (32)
N/A

>  <Target> (32)
P450

>  <Form> (32)
Free Base

>  <URL> (32)
http://www.selleckchem.com/products/Naringenin.html

>  <CAS Number> (32)
480-41-1

$$$$
Salidroside.cdx
csChFnd80/02221609162D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  3  8  1  1  0  0  0
  5  9  1  1  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  2 19  1  6  0  0  0
  4 20  1  6  0  0  0
  7 21  1  0  0  0  0
M  END
>  <Mol_ID> (33)
643

>  <Formula> (33)
C14H20O7

>  <MolWeight> (33)
300.3044

>  <Item Name> (33)
Salidroside (Rhodioloside)

>  <Catalog Number> (33)
S2396

>  <Synonyms> (33)
Rhodioloside

>  <Target> (33)
Others

>  <Form> (33)
Free Base

>  <URL> (33)
http://www.selleckchem.com/products/Salidroside-Rhodioloside.html

>  <CAS Number> (33)
10338-51-9

$$$$
Palmatine hydrochloride.cdx
csChFnd80/02221609162D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
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 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
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 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (34)
644

>  <Formula> (34)
C21H22ClNO4

>  <MolWeight> (34)
387.85668

>  <Item Name> (34)
Palmatine chloride

>  <Catalog Number> (34)
S2397

>  <Synonyms> (34)
Palmatine hydrochloride

>  <Target> (34)
Others

>  <Form> (34)
Chloride

>  <URL> (34)
http://www.selleckchem.com/products/Palmatine-chloride.html

>  <CAS Number> (34)
10605-02-4

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/02221609162D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 12  1  0  0  0  0
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 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
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 23 24  2  0  0  0  0
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 22 32  1  0  0  0  0
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M  END
>  <Mol_ID> (35)
717

>  <Formula> (35)
C22H18O11

>  <MolWeight> (35)
458.37172

>  <Item Name> (35)
(-)-Epigallocatechin gallate

>  <Catalog Number> (35)
S2250

>  <Synonyms> (35)
EGCG

>  <Target> (35)
Others

>  <Form> (35)
Free Base

>  <URL> (35)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

>  <CAS Number> (35)
989-51-5

$$$$
(+)-Usniacin.cdx
csChFnd80/02221609162D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3450    3.8280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2 10  2  0  0  0  0
  6 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 18 14  1  0  0  0  0
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M  END
>  <Mol_ID> (36)
719

>  <Formula> (36)
C18H16O7

>  <MolWeight> (36)
344.31544

>  <Item Name> (36)
(+)-Usniacin (D-Usnic acid)

>  <Catalog Number> (36)
S2252

>  <Synonyms> (36)
D-Usnic acid

>  <Target> (36)
Others

>  <Form> (36)
Free Base

>  <URL> (36)
http://www.selleckchem.com/products/(+)-Usniacin(D-Usnic-acid).html

>  <CAS Number> (36)
7562-61-0

$$$$
3-Indolebutyric acid.cdx
csChFnd80/02221609162D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.7000    2.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    1.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    3.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    3.9001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5331    1.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5698    0.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  7 10  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (37)
720

>  <Formula> (37)
C12H13NO2

>  <MolWeight> (37)
203.23712

>  <Item Name> (37)
3-Indolebutyric acid (IBA)

>  <Catalog Number> (37)
S2253

>  <Synonyms> (37)
IBA

>  <Target> (37)
Others

>  <Form> (37)
Free Base

>  <URL> (37)
http://www.selleckchem.com/products/3-Indolebutyric-acid(IBA).html

>  <CAS Number> (37)
133-32-4

$$$$
4-Methylumbelliferone.cdx
csChFnd80/02221609162D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
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  9 12  2  0  0  0  0
  7 13  1  0  0  0  0
M  END
>  <Mol_ID> (38)
721

>  <Formula> (38)
C10H8O3

>  <MolWeight> (38)
176.16872

>  <Item Name> (38)
4-Methylumbelliferone (4-MU)

>  <Catalog Number> (38)
S2256

>  <Synonyms> (38)
4-MU

>  <Target> (38)
Others

>  <Form> (38)
Free Base

>  <URL> (38)
http://www.selleckchem.com/products/4-Methylumbelliferone(4-MU).html

>  <CAS Number> (38)
90-33-5

$$$$
AESCULIN.cdx
csChFnd80/02221609162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.6289    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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  2 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  1  0  0  0
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 20 22  1  0  0  0  0
 17 23  1  6  0  0  0
 19 24  1  6  0  0  0
M  END
>  <Mol_ID> (39)
722

>  <Formula> (39)
C15H16O9

>  <MolWeight> (39)
340.28214

>  <Item Name> (39)
Aesculin (Esculin)

>  <Catalog Number> (39)
S2258

>  <Synonyms> (39)
Esculin

>  <Target> (39)
Others

>  <Form> (39)
Free Base

>  <URL> (39)
http://www.selleckchem.com/products/Aesculin(Esculin).html

>  <CAS Number> (39)
531-75-9

$$$$
Amygdalin.cdx
csChFnd80/02221609162D

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.2082   10.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4207    8.3927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4207   11.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   11.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    6.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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29883-15-6

$$$$
Andrographolide.cdx
csChFnd80/02221609162D

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C20H30O5

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>  <Target> (41)
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Free Base

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>  <CAS Number> (41)
5508-58-7

$$$$
Apigenin.cdx
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P450

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>  <URL> (42)
http://www.selleckchem.com/products/Apigenin.html

>  <CAS Number> (42)
520-36-5

$$$$
Arbutin.cdx
csChFnd80/02221609162D

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Uva, Ursi, p-Arbutin, Hydroquinone ¦Â-D-glucopyranoside 

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Free Base

>  <URL> (43)
http://www.selleckchem.com/products/Arbutin(Uva,-p-Arbutin).html

>  <CAS Number> (43)
497-76-7

$$$$
Ipriflavone.cdx
csChFnd80/02221609162D

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C18H16O3

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>  <Target> (44)
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>  <URL> (44)
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>  <CAS Number> (44)
35212-22-7

$$$$
Asiatic acid.cdx
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>  <Mol_ID> (45)
728

>  <Formula> (45)
C30H48O5

>  <MolWeight> (45)
488.69912

>  <Item Name> (45)
Asiatic acid

>  <Catalog Number> (45)
S2266

>  <Synonyms> (45)
N/A

>  <Target> (45)
p38 MAPK

>  <Form> (45)
Free Base

>  <URL> (45)
http://www.selleckchem.com/products/Asiatic-acid.html

>  <CAS Number> (45)
464-92-6

$$$$
Baicalein.cdx
csChFnd80/02221609162D

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>  <Mol_ID> (46)
729

>  <Formula> (46)
C15H10O5

>  <MolWeight> (46)
270.2369

>  <Item Name> (46)
Baicalein

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S2268

>  <Synonyms> (46)
N/A

>  <Target> (46)
P450

>  <Form> (46)
Free Base

>  <URL> (46)
http://www.selleckchem.com/products/Baicalein.html

>  <CAS Number> (46)
491-67-8

$$$$
Baicalin.cdx
csChFnd80/02221609162D

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>  <Mol_ID> (47)
732

>  <Formula> (47)
C21H18O11

>  <MolWeight> (47)
446.36102

>  <Item Name> (47)
Baicalin

>  <Catalog Number> (47)
S2269

>  <Synonyms> (47)
N/A

>  <Target> (47)
Others

>  <Form> (47)
Free Base

>  <URL> (47)
http://www.selleckchem.com/products/Baicalin.html

>  <CAS Number> (47)
21967-41-9

$$$$
Bengenin.cdx
csChFnd80/02221609162D

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>  <Mol_ID> (48)
735

>  <Formula> (48)
C14H16O9

>  <MolWeight> (48)
328.27144

>  <Item Name> (48)
Bergenin (Cuscutin)

>  <Catalog Number> (48)
S2270

>  <Synonyms> (48)
Cuscutin

>  <Target> (48)
Others

>  <Form> (48)
Free Base

>  <URL> (48)
http://www.selleckchem.com/products/Bergenin-(Cuscutin).html

>  <CAS Number> (48)
477-90-7

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/02221609162D

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 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (49)
736

>  <Formula> (49)
C20H18ClNO4

>  <MolWeight> (49)
371.81422

>  <Item Name> (49)
Berberine Hydrochloride

>  <Catalog Number> (49)
S2271

>  <Synonyms> (49)
N/A

>  <Target> (49)
Others

>  <Form> (49)
Hydrochloride

>  <URL> (49)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

>  <CAS Number> (49)
633-65-8

$$$$
Bilobalide.cdx
csChFnd80/02221609162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (50)
738

>  <Formula> (50)
C15H18O8

>  <MolWeight> (50)
326.29862

>  <Item Name> (50)
Bilobalide

>  <Catalog Number> (50)
S2276

>  <Synonyms> (50)
N/A

>  <Target> (50)
Others

>  <Form> (50)
Free Base

>  <URL> (50)
http://www.selleckchem.com/products/Bilobalide.html

>  <CAS Number> (50)
33570-04-6

$$$$
Caffeic acid.cdx
csChFnd80/02221609162D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (51)
739

>  <Formula> (51)
C9H8O4

>  <MolWeight> (51)
180.15742

>  <Item Name> (51)
Caffeic acid

>  <Catalog Number> (51)
S2277

>  <Synonyms> (51)
N/A

>  <Target> (51)
Others

>  <Form> (51)
Free Base

>  <URL> (51)
http://www.selleckchem.com/products/Caffeic-acid.html

>  <CAS Number> (51)
331-39-5

$$$$
Chlorogenic acid.cdx
csChFnd80/02221609162D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (52)
740

>  <Formula> (52)
C16H18O9

>  <MolWeight> (52)
354.30872

>  <Item Name> (52)
Chlorogenic acid

>  <Catalog Number> (52)
S2280

>  <Synonyms> (52)
N/A

>  <Target> (52)
Others

>  <Form> (52)
Free Base

>  <URL> (52)
http://www.selleckchem.com/products/Chlorogenic-acid.html

>  <CAS Number> (52)
327-97-9

$$$$
Chrysin.cdx
csChFnd80/02221609162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (53)
741

>  <Formula> (53)
C15H10O4

>  <MolWeight> (53)
254.2375

>  <Item Name> (53)
Chrysin

>  <Catalog Number> (53)
S2281

>  <Synonyms> (53)
N/A

>  <Target> (53)
Others

>  <Form> (53)
Free Base

>  <URL> (53)
http://www.selleckchem.com/products/Chrysin.html

>  <CAS Number> (53)
480-40-0

$$$$
Cinchonidine.cdx
csChFnd80/02221609162D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  1  0  0  0  0
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 19 24  1  1  0  0  0
M  END
>  <Mol_ID> (54)
742

>  <Formula> (54)
C19H22N2O

>  <MolWeight> (54)
294.39078

>  <Item Name> (54)
Cinchonidine

>  <Catalog Number> (54)
S2282

>  <Synonyms> (54)
N/A

>  <Target> (54)
Others

>  <Form> (54)
Free Base

>  <URL> (54)
http://www.selleckchem.com/products/Cinchonidine.html

>  <CAS Number> (54)
485-71-2

$$$$
Cryptotanshinone.cdx
csChFnd80/02221609162D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (55)
743

>  <Formula> (55)
C19H20O3

>  <MolWeight> (55)
296.3603

>  <Item Name> (55)
Cryptotanshinone

>  <Catalog Number> (55)
S2285 

>  <Synonyms> (55)
N/A

>  <Target> (55)
STAT

>  <Form> (55)
Free Base

>  <URL> (55)
http://www.selleckchem.com/products/Cryptotanshinone.html

>  <CAS Number> (55)
35825-57-1

$$$$
Cyclosporin A.cdx
csChFnd80/02221609162D

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M  END
>  <Mol_ID> (56)
745

>  <Formula> (56)
C62H111N11O12

>  <MolWeight> (56)
1202.61124

>  <Item Name> (56)
Cyclosporin A (Cyclosporine A)

>  <Catalog Number> (56)
S2286

>  <Synonyms> (56)
Cyclosporine A 

>  <Target> (56)
Others

>  <Form> (56)
Free Base

>  <URL> (56)
http://www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

>  <CAS Number> (56)
59865-13-3

$$$$
Cytisine.cdx
csChFnd80/02221609162D

 14 16  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  1  0  0  0
M  END
>  <Mol_ID> (57)
746

>  <Formula> (57)
C11H14N2O

>  <MolWeight> (57)
190.24166

>  <Item Name> (57)
Cytisine (Baphitoxine, Sophorine)

>  <Catalog Number> (57)
S2287

>  <Synonyms> (57)
Baphitoxine, Sophorine 

>  <Target> (57)
Others

>  <Form> (57)
Free Base

>  <URL> (57)
http://www.selleckchem.com/products/Cytisine(Baphitoxine,-Sophorine).html

>  <CAS Number> (57)
485-35-8 

$$$$
Diosmin.cdx
csChFnd80/02221609162D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (58)
749

>  <Formula> (58)
C28H32O15

>  <MolWeight> (58)
608.54468

>  <Item Name> (58)
Diosmin

>  <Catalog Number> (58)
S2292

>  <Synonyms> (58)
N/A

>  <Target> (58)
Others

>  <Form> (58)
Free Base

>  <URL> (58)
http://www.selleckchem.com/products/Diosmin.html

>  <CAS Number> (58)
520-27-4

$$$$
DL-Carnitine hydrochloride.cdx
csChFnd80/02221609162D

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M  END
>  <Mol_ID> (59)
750

>  <Formula> (59)
C7H16ClNO3

>  <MolWeight> (59)
197.65984

>  <Item Name> (59)
DL-Carnitine hydrochloride

>  <Catalog Number> (59)
S2293

>  <Synonyms> (59)
N/A

>  <Target> (59)
Others

>  <Form> (59)
Hydrochloride

>  <URL> (59)
http://www.selleckchem.com/products/DL-Carnitine-hydrochloride.html

>  <CAS Number> (59)
461-05-2

$$$$
Emodin.cdx
csChFnd80/02221609162D

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M  END
>  <Mol_ID> (60)
752

>  <Formula> (60)
C15H10O5

>  <MolWeight> (60)
270.2369

>  <Item Name> (60)
Emodin

>  <Catalog Number> (60)
S2295

>  <Synonyms> (60)
N/A

>  <Target> (60)
Others

>  <Form> (60)
Free Base

>  <URL> (60)
http://www.selleckchem.com/products/Emodin.html

>  <CAS Number> (60)
518-82-1

$$$$
Enoxolone.cdx
csChFnd80/02221609162D

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M  END
>  <Mol_ID> (61)
753

>  <Formula> (61)
C30H46O4

>  <MolWeight> (61)
470.68384

>  <Item Name> (61)
Enoxolone (Glycyrrhetin)

>  <Catalog Number> (61)
S2296

>  <Synonyms> (61)
Glycyrrhetin, Uralenic acid 

>  <Target> (61)
Others

>  <Form> (61)
Free Base

>  <URL> (61)
http://www.selleckchem.com/products/Enoxolone(Glycyrrhetin).html

>  <CAS Number> (61)
471-53-4

$$$$
10-Hydroxycamptothecin.cdx
csChFnd80/02221609162D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (62)
755

>  <Formula> (62)
C20H16N2O5

>  <MolWeight> (62)
364.35144

>  <Item Name> (62)
10-Hydroxycamptothecin

>  <Catalog Number> (62)
S2423 

>  <Synonyms> (62)
N/A 

>  <Target> (62)
Topoisomerase

>  <Form> (62)
Free Base

>  <URL> (62)
http://www.selleckchem.com/products/10-hydroxycamptothecin.html

>  <CAS Number> (62)
19685-09-7

$$$$
Fisetin.cdx
csChFnd80/02221609162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (63)
756

>  <Formula> (63)
C15H10O6

>  <MolWeight> (63)
286.2363

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Fisetin (Fustel)

>  <Catalog Number> (63)
S2298

>  <Synonyms> (63)
Fustel, Viset

>  <Target> (63)
Others

>  <Form> (63)
Free Base

>  <URL> (63)
http://www.selleckchem.com/products/Fisetin(Fustel).html

>  <CAS Number> (63)
528-48-3

$$$$
Formononetin.cdx
csChFnd80/02221609162D

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M  END
>  <Mol_ID> (64)
757

>  <Formula> (64)
C16H12O4

>  <MolWeight> (64)
268.26408

>  <Item Name> (64)
Formononetin (Formononetol)

>  <Catalog Number> (64)
S2299

>  <Synonyms> (64)
Biochanin B, Formononetol 

>  <Target> (64)
Others

>  <Form> (64)
Free Base

>  <URL> (64)
http://www.selleckchem.com/products/Formononetin(Formononetol).html

>  <CAS Number> (64)
485-72-3

$$$$
Fumalic acid.cdx
csChFnd80/02221609162D

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M  END
>  <Mol_ID> (65)
758

>  <Formula> (65)
C10H10O4

>  <MolWeight> (65)
194.184

>  <Item Name> (65)
Fumalic acid (Ferulic acid)

>  <Catalog Number> (65)
S2300

>  <Synonyms> (65)
Ferulic acid

>  <Target> (65)
Others

>  <Form> (65)
Free Base

>  <URL> (65)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

>  <CAS Number> (65)
1135-24-6

$$$$
Gramine.cdx
csChFnd80/02221609162D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (66)
760

>  <Formula> (66)
C11H14N2

>  <MolWeight> (66)
174.24226

>  <Item Name> (66)
Gramine

>  <Catalog Number> (66)
S2304

>  <Synonyms> (66)
N/A

>  <Target> (66)
Others

>  <Form> (66)
Free Base

>  <URL> (66)
http://www.selleckchem.com/products/Gramine.html

>  <CAS Number> (66)
87-52-5

$$$$

csChFnd80/02221609162D

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M  END
>  <Mol_ID> (67)
761

>  <Formula> (67)
C47H80O17

>  <MolWeight> (67)
917.1279

>  <Item Name> (67)
Gynostemma Extract

>  <Catalog Number> (67)
S2306

>  <Synonyms> (67)
N/A

>  <Target> (67)
Others

>  <Form> (67)
Free Base

>  <URL> (67)
http://www.selleckchem.com/products/Gynostemma-Extract.html

>  <CAS Number> (67)
80321-63-7 

$$$$
Rotundine.cdx
csChFnd80/02221609162D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (68)
762

>  <Formula> (68)
C21H25NO4

>  <MolWeight> (68)
355.4275

>  <Item Name> (68)
Rotundine

>  <Catalog Number> (68)
S2437

>  <Synonyms> (68)
N/A 

>  <Target> (68)
Dopamine Receptor

>  <Form> (68)
Free Base

>  <URL> (68)
http://www.selleckchem.com/products/rotundine.html

>  <CAS Number> (68)
483-14-7

$$$$
Hesperetin.cdx
csChFnd80/02221609162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (69)
764

>  <Formula> (69)
C16H14O6

>  <MolWeight> (69)
302.27876

>  <Item Name> (69)
Hesperetin

>  <Catalog Number> (69)
S2308

>  <Synonyms> (69)
N/A

>  <Target> (69)
Histamine Receptor

>  <Form> (69)
Free Base

>  <URL> (69)
http://www.selleckchem.com/products/Hesperetin.html

>  <CAS Number> (69)
520-33-2

$$$$
Hesperidin.cdx
csChFnd80/02221609162D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (70)
765

>  <Formula> (70)
C28H34O15

>  <MolWeight> (70)
610.56056

>  <Item Name> (70)
Hesperidin

>  <Catalog Number> (70)
S2309

>  <Synonyms> (70)
N/A

>  <Target> (70)
NULL

>  <Form> (70)
Free Base

>  <URL> (70)
http://www.selleckchem.com/products/Hesperidin.html

>  <CAS Number> (70)
520-26-3

$$$$
Honokiol.cdx
csChFnd80/02221609162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (71)
766

>  <Formula> (71)
C18H18O2

>  <MolWeight> (71)
266.33432

>  <Item Name> (71)
Honokiol

>  <Catalog Number> (71)
S2310

>  <Synonyms> (71)
N/A

>  <Target> (71)
Akt, MEK

>  <Form> (71)
Free Base

>  <URL> (71)
http://www.selleckchem.com/products/Honokiol.html

>  <CAS Number> (71)
35354-74-6

$$$$
Hyodeoxycholic acid.cdx
csChFnd80/02221609162D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (72)
767

>  <Formula> (72)
C24H40O4

>  <MolWeight> (72)
392.572

>  <Item Name> (72)
Hyodeoxycholic acid (HDCA)

>  <Catalog Number> (72)
S2311

>  <Synonyms> (72)
3¦Á,6¦Á-Dihydroxy-5¦Â-cholan-24-oic acid, HDCA 

>  <Target> (72)
Others

>  <Form> (72)
Free Base

>  <URL> (72)
http://www.selleckchem.com/products/Hyodeoxycholic-acid(HDCA).html

>  <CAS Number> (72)
83-49-8

$$$$
Icariin.cdx
csChFnd80/02221609162D

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M  END
>  <Mol_ID> (73)
768

>  <Formula> (73)
C33H40O15

>  <MolWeight> (73)
676.6617

>  <Item Name> (73)
Icariin

>  <Catalog Number> (73)
S2312

>  <Synonyms> (73)
N/A

>  <Target> (73)
PDE

>  <Form> (73)
Free Base

>  <URL> (73)
http://www.selleckchem.com/products/Icariin.html

>  <CAS Number> (73)
489-32-7

$$$$
Indole-3-carbinol.cdx
csChFnd80/02221609162D

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M  END
>  <Mol_ID> (74)
769

>  <Formula> (74)
C9H9NO

>  <MolWeight> (74)
147.17386

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Indole-3-carbinol

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S2313

>  <Synonyms> (74)
N/A

>  <Target> (74)
Others

>  <Form> (74)
Free Base

>  <URL> (74)
http://www.selleckchem.com/products/Indole-3-carbinol.html

>  <CAS Number> (74)
700-06-1

$$$$
Kaempferol.cdx
csChFnd80/02221609162D

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>  <Mol_ID> (75)
770

>  <Formula> (75)
C15H10O6

>  <MolWeight> (75)
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>  <Item Name> (75)
Kaempferol

>  <Catalog Number> (75)
S2314

>  <Synonyms> (75)
N/A

>  <Target> (75)
Others

>  <Form> (75)
Free Base

>  <URL> (75)
http://www.selleckchem.com/products/Kaempferol.html

>  <CAS Number> (75)
520-18-3

$$$$
Kinetin.cdx
csChFnd80/02221609162D

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  3 10  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (76)
771

>  <Formula> (76)
C10H9N5O

>  <MolWeight> (76)
215.21136

>  <Item Name> (76)
Kinetin (6-Furfuryladenine)

>  <Catalog Number> (76)
S2316

>  <Synonyms> (76)
6-Furfuryladenine, N6-Furfuryladenine, 6-Furfurylaminopurine,Cytokinin 

>  <Target> (76)
Others

>  <Form> (76)
Free Base

>  <URL> (76)
http://www.selleckchem.com/products/Kinetin(6-Furfuryladenine).html

>  <CAS Number> (76)
525-79-1

$$$$
L(+)-Rhamnose Monohydrate.cdx
csChFnd80/02221609162D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.3951    2.4207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4951    1.2082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.3976    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4472    0.5977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  1  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (77)
772

>  <Formula> (77)
C6H14O6

>  <MolWeight> (77)
182.17176

>  <Item Name> (77)
L (+)-Rhamnose Monohydrate

>  <Catalog Number> (77)
S2317

>  <Synonyms> (77)
N/A

>  <Target> (77)
Others

>  <Form> (77)
Monohydrate

>  <URL> (77)
http://www.selleckchem.com/products/L(+)-Rhamnose-Monohydrate.html

>  <CAS Number> (77)
10030-85-0 

$$$$
Luteolin.cdx
csChFnd80/02221609162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
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 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (78)
774

>  <Formula> (78)
C15H10O6

>  <MolWeight> (78)
286.2363

>  <Item Name> (78)
Luteolin

>  <Catalog Number> (78)
S2320

>  <Synonyms> (78)
3',4',5,7-Tetrahydroxyflavone, Luteoline, Luteolol

>  <Target> (78)
PDE

>  <Form> (78)
Free Base

>  <URL> (78)
http://www.selleckchem.com/products/Luteolin(Luteolol).html

>  <CAS Number> (78)
491-70-3 

$$$$
Magnolol.cdx
csChFnd80/02221609162D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  3 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (79)
775

>  <Formula> (79)
C18H18O2

>  <MolWeight> (79)
266.33432

>  <Item Name> (79)
Magnolol

>  <Catalog Number> (79)
S2321

>  <Synonyms> (79)
2,2'-Bichavicol

>  <Target> (79)
Others

>  <Form> (79)
Free Base

>  <URL> (79)
http://www.selleckchem.com/products/Magnolol(2,2-Bichavicol).html

>  <CAS Number> (79)
528-43-8

$$$$
matrine.cdx
csChFnd80/02221609162D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 13  6  1  0  0  0  0
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  6 19  1  6  0  0  0
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 11 21  1  1  0  0  0
  5 22  1  6  0  0  0
M  END
>  <Mol_ID> (80)
776

>  <Formula> (80)
C15H24N2O

>  <MolWeight> (80)
248.36386

>  <Item Name> (80)
Matrine ((+)-Matrine)

>  <Catalog Number> (80)
S2322

>  <Synonyms> (80)
(+)-Matrine

>  <Target> (80)
Opioid Receptor

>  <Form> (80)
Free Base

>  <URL> (80)
http://www.selleckchem.com/products/Matrine((+)-Matrine).html

>  <CAS Number> (80)
519-02-8 

$$$$
Methyl-Hesperidin.cdx
csChFnd80/02221609162D

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.3771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 30 42  1  0  0  0  0
 42 43  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
>  <Mol_ID> (81)
777

>  <Formula> (81)
C29H38O16

>  <MolWeight> (81)
642.60242

>  <Item Name> (81)
Methyl-Hesperidin

>  <Catalog Number> (81)
S2323

>  <Synonyms> (81)
N/A

>  <Target> (81)
Others

>  <Form> (81)
Free Base

>  <URL> (81)
http://www.selleckchem.com/products/Methyl-Hesperidin.html

>  <CAS Number> (81)
11013-97-1

$$$$
Morin.cdx
csChFnd80/02221609162D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    6.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1659    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (82)
779

>  <Formula> (82)
C15H12O8

>  <MolWeight> (82)
320.25098

>  <Item Name> (82)
Morin hydrate (Aurantica)

>  <Catalog Number> (82)
S2325

>  <Synonyms> (82)
N/A

>  <Target> (82)
Others

>  <Form> (82)
Hydrate

>  <URL> (82)
http://www.selleckchem.com/products/Morin-hydrate(Aurantica).html

>  <CAS Number> (82)
6202-27-3

$$$$
Myricetin.cdx
csChFnd80/02221609162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (83)
780

>  <Formula> (83)
C15H10O8

>  <MolWeight> (83)
318.2351

>  <Item Name> (83)
Myricetin (Cannabiscetin)

>  <Catalog Number> (83)
S2326

>  <Synonyms> (83)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (83)
NULL

>  <Form> (83)
Free Base

>  <URL> (83)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

>  <CAS Number> (83)
529-44-2

$$$$
Myricitrin.cdx
csChFnd80/02221609162D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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  7 13  2  0  0  0  0
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 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
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 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
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 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (84)
781

>  <Formula> (84)
C21H20O12

>  <MolWeight> (84)
464.3763

>  <Item Name> (84)
Myricitrin (Myricitrine)

>  <Catalog Number> (84)
S2327

>  <Synonyms> (84)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (84)
Others

>  <Form> (84)
Free Base

>  <URL> (84)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

>  <CAS Number> (84)
17912-87-7

$$$$
Nalidixic acid.cdx
csChFnd80/02221609162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (85)
782

>  <Formula> (85)
C12H12N2O3

>  <MolWeight> (85)
232.23528

>  <Item Name> (85)
Nalidixic acid (NegGram)

>  <Catalog Number> (85)
S2328

>  <Synonyms> (85)
NegGram, Nevigramon, Nalidixin, Uronidix 

>  <Target> (85)
Others

>  <Form> (85)
Free Base

>  <URL> (85)
http://www.selleckchem.com/products/Nalidixic-acid(NegGram).html

>  <CAS Number> (85)
389-08-2

$$$$
Naringin.cdx
csChFnd80/02221609162D

 41 45  0  0  0  0  0  0  0  0999 V2000
    6.1009    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1009    7.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134    7.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5258    7.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5258    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134   10.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382    7.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9507    7.9680    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9507    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382   10.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1589    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382   11.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2927    4.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3927    1.2082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0927    2.4207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3927    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6976    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    4.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  1  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
 15 19  1  0  0  0  0
  2 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 26 30  1  6  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
 23 35  1  1  0  0  0
 32 36  1  1  0  0  0
 31 37  1  6  0  0  0
 34 38  1  6  0  0  0
 33 39  1  6  0  0  0
 24 40  1  6  0  0  0
 35 41  1  0  0  0  0
M  END
>  <Mol_ID> (86)
783

>  <Formula> (86)
C27H32O14

>  <MolWeight> (86)
580.53458

>  <Item Name> (86)
Naringin (Naringoside)

>  <Catalog Number> (86)
S2329

>  <Synonyms> (86)
Naringoside, Naringenine-7-rhamnosidoglucoside 

>  <Target> (86)
Others

>  <Form> (86)
Free Base

>  <URL> (86)
http://www.selleckchem.com/products/Naringin(Naringoside).html

>  <CAS Number> (86)
10236-47-2 

$$$$
Neohesperidin dihydrochalcone.cdx
csChFnd80/02221609162D

 43 46  0  0  0  0  0  0  0  0999 V2000
    8.4828    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6953    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1823    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1823    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    7.6951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1201    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 19  2  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 23 27  1  6  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 20 32  1  1  0  0  0
 22 33  1  1  0  0  0
 28 34  1  1  0  0  0
 30 35  1  1  0  0  0
 21 36  1  6  0  0  0
 29 37  1  6  0  0  0
 32 38  1  0  0  0  0
  6 39  1  0  0  0  0
  9 40  2  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <Mol_ID> (87)
784

>  <Formula> (87)
C28H36O15

>  <MolWeight> (87)
612.57644

>  <Item Name> (87)
Neohesperidin dihydrochalcone (Nhdc)

>  <Catalog Number> (87)
S2331

>  <Synonyms> (87)
Nhdc, Neohesperidin dc, Neohesperidin dhc 

>  <Target> (87)
Others

>  <Form> (87)
Free Base

>  <URL> (87)
http://www.selleckchem.com/products/Neohesperidin-dihydrochalcone(Nhdc).html

>  <CAS Number> (87)
20702-77-6 

$$$$
Nobiletin.cdx
csChFnd80/02221609162D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 14 15  1  0  0  0  0
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 25 20  1  0  0  0  0
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M  END
>  <Mol_ID> (88)
785

>  <Formula> (88)
C21H22O8

>  <MolWeight> (88)
402.39458

>  <Item Name> (88)
Nobiletin (Hexamethoxyflavone)

>  <Catalog Number> (88)
S2333

>  <Synonyms> (88)
N/A 

>  <Target> (88)
Others

>  <Form> (88)
Free Base

>  <URL> (88)
http://www.selleckchem.com/products/Nobiletin(Hexamethoxyflavone).html

>  <CAS Number> (88)
478-01-3

$$$$
Oleanolic Acid.cdx
csChFnd80/02221609162D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    4.8455    4.0124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.1207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9953    9.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1159    5.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.0197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 19 27  1  1  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  2 30  1  1  0  0  0
  5 31  1  1  0  0  0
  9 32  1  1  0  0  0
 18 33  1  1  0  0  0
  4 34  1  6  0  0  0
 10 35  1  6  0  0  0
 11 36  1  6  0  0  0
M  END
>  <Mol_ID> (89)
786

>  <Formula> (89)
C30H48O3

>  <MolWeight> (89)
456.70032

>  <Item Name> (89)
Oleanolic Acid (Caryophyllin)

>  <Catalog Number> (89)
S2334

>  <Synonyms> (89)
Caryophyllin, Astrantiagenin C, Giganteumgenin C, Virgaureagenin B 

>  <Target> (89)
Others

>  <Form> (89)
Free Base

>  <URL> (89)
http://www.selleckchem.com/products/Oleanolic-Acid(Caryophyllin).html

>  <CAS Number> (89)
508-02-1

$$$$
OROTIC ACID.cdx
csChFnd80/02221609162D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (90)
788

>  <Formula> (90)
C5H4N2O4

>  <MolWeight> (90)
156.09626

>  <Item Name> (90)
Orotic acid (6-Carboxyuracil)

>  <Catalog Number> (90)
S2336

>  <Synonyms> (90)
6-Carboxyuracil, Orodin, Oropur, Orotonin, Orotonsan 

>  <Target> (90)
Others

>  <Form> (90)
Free Base

>  <URL> (90)
http://www.selleckchem.com/products/Orotic-acid(6-Carboxyuracil).html

>  <CAS Number> (90)
65-86-1

$$$$
Osthole.cdx
csChFnd80/02221609162D

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    3.6373    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  1 11  1  0  0  0  0
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M  END
>  <Mol_ID> (91)
789

>  <Formula> (91)
C15H16O3

>  <MolWeight> (91)
244.28574

>  <Item Name> (91)
Osthole (Osthol)

>  <Catalog Number> (91)
S2337

>  <Synonyms> (91)
Osthol, Ostole, Ostol

>  <Target> (91)
Others

>  <Form> (91)
Free Base

>  <URL> (91)
http://www.selleckchem.com/products/Osthole(Osthol).html

>  <CAS Number> (91)
484-12-8

$$$$
Oxymatrine.cdx
csChFnd80/02221609162D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 13  6  1  0  0  0  0
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  6 22  1  6  0  0  0
  4 23  1  0  0  0  0
M  END
>  <Mol_ID> (92)
790

>  <Formula> (92)
C15H24N2O2

>  <MolWeight> (92)
264.36326

>  <Item Name> (92)
Oxymatrine (Matrine N-oxide)

>  <Catalog Number> (92)
S2338

>  <Synonyms> (92)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (92)
Others

>  <Form> (92)
Free Base

>  <URL> (92)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

>  <CAS Number> (92)
16837-52-8 

$$$$
Paeonol.cdx
csChFnd80/02221609162D

 12 12  0  0  0  0  0  0  0  0999 V2000
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    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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M  END
>  <Mol_ID> (93)
791

>  <Formula> (93)
C9H10O3

>  <MolWeight> (93)
166.1739

>  <Item Name> (93)
Paeonol (Peonol)

>  <Catalog Number> (93)
S2339

>  <Synonyms> (93)
Peonol

>  <Target> (93)
Others

>  <Form> (93)
Free Base

>  <URL> (93)
http://www.selleckchem.com/products/Paeonol(Peonol).html

>  <CAS Number> (93)
552-41-0 

$$$$
Parthenolide.cdx
csChFnd80/02221609162D

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    1.2124    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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  8 13  1  1  0  0  0
  5 14  1  0  0  0  0
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M  END
>  <Mol_ID> (94)
792

>  <Formula> (94)
C15H20O3

>  <MolWeight> (94)
248.3175

>  <Item Name> (94)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (94)
S2341

>  <Synonyms> (94)
N/A 

>  <Target> (94)
Others

>  <Form> (94)
Free Base

>  <URL> (94)
http://www.selleckchem.com/products/Parthenolide((-)-Parthenolide).html

>  <CAS Number> (94)
20554-84-1

$$$$
Phloretin.cdx
csChFnd80/02221609162D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 19  2  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (95)
793

>  <Formula> (95)
C15H14O5

>  <MolWeight> (95)
274.26866

>  <Item Name> (95)
Phloretin (Dihydronaringenin)

>  <Catalog Number> (95)
S2342

>  <Synonyms> (95)
Dihydronaringenin, Phloretol

>  <Target> (95)
Others

>  <Form> (95)
Free Base

>  <URL> (95)
http://www.selleckchem.com/products/Phloretin(Dihydronaringenin).html

>  <CAS Number> (95)
60-82-2

$$$$
Phlorizin.cdx
csChFnd80/02221609162D

 31 33  0  0  0  0  0  0  0  0999 V2000
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    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13  5  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
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 23 19  1  0  0  0  0
 16 24  1  1  0  0  0
 14 25  1  1  0  0  0
 17 26  1  6  0  0  0
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  7 29  2  0  0  0  0
  3 30  1  0  0  0  0
 25 31  1  0  0  0  0
M  END
>  <Mol_ID> (96)
794

>  <Formula> (96)
C21H24O10

>  <MolWeight> (96)
436.40926

>  <Item Name> (96)
Phlorizin (Phloridzin)

>  <Catalog Number> (96)
S2343

>  <Synonyms> (96)
Phlorhizin, Phlorizoside 

>  <Target> (96)
Others

>  <Form> (96)
Free Base

>  <URL> (96)
http://www.selleckchem.com/products/Phlorizin(Phloridzin).html

>  <CAS Number> (96)
60-81-1

$$$$
Piperine.cdx
csChFnd80/02221609162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0310    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    2.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
  7 21  2  0  0  0  0
M  END
>  <Mol_ID> (97)
795

>  <Formula> (97)
C17H19NO3

>  <MolWeight> (97)
285.33766

>  <Item Name> (97)
Piperine (1-Piperoylpiperidine)

>  <Catalog Number> (97)
S2344

>  <Synonyms> (97)
Piperin 

>  <Target> (97)
Others

>  <Form> (97)
Free Base

>  <URL> (97)
http://www.selleckchem.com/products/Piperine(1-Piperoylpiperidine).html

>  <CAS Number> (97)
94-62-2 

$$$$
Puerarin.cdx
csChFnd80/02221609162D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.6700    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3892    3.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7890    3.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4697    4.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7504    6.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3506    5.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2702    4.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5896    3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3088    2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7086    2.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1946    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5535    5.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5058    2.3894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.4305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9518    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7393    0.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  2  0  0  0  0
  4 13  1  0  0  0  0
  3 14  1  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 11  1  0  0  0  0
 20 14  1  6  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 24 27  1  1  0  0  0
 22 28  1  1  0  0  0
 25 29  1  6  0  0  0
 23 30  1  6  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (98)
796

>  <Formula> (98)
C21H20O10

>  <MolWeight> (98)
432.3775

>  <Item Name> (98)
Puerarin (Kakonein)

>  <Catalog Number> (98)
S2346

>  <Synonyms> (98)
NPI-31G 

>  <Target> (98)
Others

>  <Form> (98)
Free Base

>  <URL> (98)
http://www.selleckchem.com/products/Puerarin(Kakonein).html

>  <CAS Number> (98)
3681-99-0

$$$$
Quercetin dihydrate.cdx
csChFnd80/02221609162D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7497    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (99)
797

>  <Formula> (99)
C15H14O9

>  <MolWeight> (99)
338.26626

>  <Item Name> (99)
Quercetin dihydrate (Sophoretin)

>  <Catalog Number> (99)
S2347

>  <Synonyms> (99)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (99)
Others

>  <Form> (99)
Dihydrate

>  <URL> (99)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

>  <CAS Number> (99)
6151-25-3

$$$$
Rutaecarpine.cdx
csChFnd80/02221609162D

 22 26  0  0  0  0  0  0  0  0999 V2000
    5.6805    4.7484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6805    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    2.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    4.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    5.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4681    5.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    4.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4681    2.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 10  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  5  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 12  1  0  0  0  0
  6 22  2  0  0  0  0
M  END
>  <Mol_ID> (100)
798

>  <Formula> (100)
C18H13N3O

>  <MolWeight> (100)
287.31532

>  <Item Name> (100)
Rutaecarpine (Rutecarpine)

>  <Catalog Number> (100)
S2349

>  <Synonyms> (100)
Rutecarpine, Rutacarpine, Rutaecarpin, Rhetine 

>  <Target> (100)
Others

>  <Form> (100)
Free Base

>  <URL> (100)
http://www.selleckchem.com/products/Rutaecarpine(Rutecarpine).html

>  <CAS Number> (100)
84-26-4

$$$$
Rutin DAB10.cdx
csChFnd80/02221609162D

 43 47  0  0  0  0  0  0  0  0999 V2000
    7.2620    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    9.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 25  1  1  0  0  0
 15 37  1  1  0  0  0
 22 38  1  1  0  0  0
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 24 41  1  6  0  0  0
 14 42  1  6  0  0  0
 16 43  1  6  0  0  0
M  END
>  <Mol_ID> (101)
799

>  <Formula> (101)
C27H30O16

>  <MolWeight> (101)
610.5175

>  <Item Name> (101)
Rutin (Rutoside)

>  <Catalog Number> (101)
S2350

>  <Synonyms> (101)
Quercetin 3-rutinoside, Rutin trihydrate, Phytomelin, Birutan, Sophorin, Venoruton, Eldrin 

>  <Target> (101)
NULL

>  <Form> (101)
Free Base

>  <URL> (101)
http://www.selleckchem.com/products/Rutin(Rutoside).html

>  <CAS Number> (101)
153-18-4

$$$$
Salicin.cdx
csChFnd80/02221609162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6331    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
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  2 19  1  6  0  0  0
  3 20  1  1  0  0  0
M  END
>  <Mol_ID> (102)
800

>  <Formula> (102)
C13H18O7

>  <MolWeight> (102)
286.27782

>  <Item Name> (102)
Salicin (Salicoside, Salicine)

>  <Catalog Number> (102)
S2351

>  <Synonyms> (102)
Salicoside, Salicine

>  <Target> (102)
Others

>  <Form> (102)
Free Base

>  <URL> (102)
http://www.selleckchem.com/products/Salicin(Salicoside,-Salicine).html

>  <CAS Number> (102)
138-52-3

$$$$
Sclareol.cdx
csChFnd80/02221609162D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.3951    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6076    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8200    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8200    6.9951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6076    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0324    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2449    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2449    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0324    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3324    8.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 19  2  0  0  0  0
  4 20  1  1  0  0  0
  2 21  1  1  0  0  0
  2 22  1  6  0  0  0
M  END
>  <Mol_ID> (103)
801

>  <Formula> (103)
C20H36O2

>  <MolWeight> (103)
308.49864

>  <Item Name> (103)
Sclareol

>  <Catalog Number> (103)
S2354

>  <Synonyms> (103)
N/A

>  <Target> (103)
Others

>  <Form> (103)
Free Base

>  <URL> (103)
http://www.selleckchem.com/products/Sclareol.html

>  <CAS Number> (103)
515-03-7

$$$$
Sodium Danshensu.cdx
csChFnd80/02221609162D

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (104)
804

>  <Formula> (104)
C9H9NaO5

>  <MolWeight> (104)
220.15453

>  <Item Name> (104)
Sodium Danshensu

>  <Catalog Number> (104)
S2401

>  <Synonyms> (104)
N/A

>  <Target> (104)
P450

>  <Form> (104)
Sodium Salt

>  <URL> (104)
http://www.selleckchem.com/products/Sodium-Danshensu.html

>  <CAS Number> (104)
67920-52-9

$$$$
Isoliquiritigenin.cdx
csChFnd80/02221609162D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
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 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (105)
807

>  <Formula> (105)
C15H12O4

>  <MolWeight> (105)
256.25338

>  <Item Name> (105)
Isoliquiritigenin

>  <Catalog Number> (105)
S2404

>  <Synonyms> (105)
N/A

>  <Target> (105)
Others

>  <Form> (105)
Free Base

>  <URL> (105)
http://www.selleckchem.com/products/Isoliquiritigenin.html

>  <CAS Number> (105)
961-29-5

$$$$
Chrysophanic acid.cdx
csChFnd80/02221609162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (106)
809

>  <Formula> (106)
C15H10O4

>  <MolWeight> (106)
254.2375

>  <Item Name> (106)
Chrysophanic acid (Chrysophanol)

>  <Catalog Number> (106)
S2406

>  <Synonyms> (106)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (106)
EGFR, mTOR

>  <Form> (106)
Free Base

>  <URL> (106)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

>  <CAS Number> (106)
481-74-3

$$$$
Curcumol.cdx
csChFnd80/02221609162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (107)
810

>  <Formula> (107)
C15H24O2

>  <MolWeight> (107)
236.34986

>  <Item Name> (107)
Curcumol

>  <Catalog Number> (107)
S2407

>  <Synonyms> (107)
N/A

>  <Target> (107)
Others

>  <Form> (107)
Free Base

>  <URL> (107)
http://www.selleckchem.com/products/Curcumol.html

>  <CAS Number> (107)
4871-97-0

$$$$
Astragaloside A.cdx
csChFnd80/02221609162D

 58 65  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    8.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.9951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0496    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6869    9.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.4432    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2661    9.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4432   10.9278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.1117   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3242    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3242    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5324    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   12.2546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6612    9.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2058   12.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0514   13.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6619   11.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4432   15.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3767   16.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0786   16.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 11  8  1  1  0  0  0
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 17 31  1  6  0  0  0
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M  END
>  <Mol_ID> (108)
815

>  <Formula> (108)
C41H68O14

>  <MolWeight> (108)
784.97022

>  <Item Name> (108)
Astragaloside A

>  <Catalog Number> (108)
S2415

>  <Synonyms> (108)
Cyclosiversioside F

>  <Form> (108)
Free Base

>  <URL> (108)
http://www.selleckchem.com/products/astragaloside-a.html

>  <CAS Number> (108)
83207-58-3

$$$$
Neohesperidin.cdx
csChFnd80/02221609162D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.6143    3.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 37 32  1  0  0  0  0
 35 38  1  1  0  0  0
 26 39  1  6  0  0  0
 34 40  1  6  0  0  0
 36 41  1  6  0  0  0
 37 42  1  6  0  0  0
 30 43  1  0  0  0  0
M  END
>  <Mol_ID> (109)
905

>  <Formula> (109)
C28H34O15

>  <MolWeight> (109)
610.56056

>  <Item Name> (109)
Neohesperidin

>  <Catalog Number> (109)
S2332

>  <Synonyms> (109)
N/A

>  <Target> (109)
Others

>  <Form> (109)
Free Base

>  <URL> (109)
http://www.selleckchem.com/products/Neohesperidin.html

>  <CAS Number> (109)
13241-33-3 

$$$$
Azomycin.cdx
csChFnd80/02221609162D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.6810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3810    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4207    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7761    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5670    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9364    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6996    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
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  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
M  END
>  <Mol_ID> (110)
1217

>  <Formula> (110)
C3H3N3O2

>  <MolWeight> (110)
113.07482

>  <Item Name> (110)
Azomycin (2-Nitroimidazole)

>  <Catalog Number> (110)
S2267 

>  <Synonyms> (110)
2-Nitroimidazole 

>  <Target> (110)
Others

>  <Form> (110)
Free Base

>  <URL> (110)
http://www.selleckchem.com/products/Azomycin(2-Nitroimidazole).html

>  <CAS Number> (110)
527-73-1 

$$$$
Cyclocytidine hydrochloride.cdx
csChFnd80/02221609162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.8287    5.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    4.5919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    3.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2535    4.5919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2535    5.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    6.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8387    3.6020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4743    2.3545    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8571    2.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4864    3.2396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4131    1.8415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7202    1.3398    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4660    6.6919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2431    1.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1092    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7759    0.7856    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  1  2  0  0  0  0
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  9  3  1  0  0  0  0
  7 10  1  0  0  0  0
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 12  8  1  0  0  0  0
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  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  2  0  0  0  0
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 11 14  1  1  0  0  0
 14 15  1  0  0  0  0
 12 16  1  6  0  0  0
M  END
>  <Mol_ID> (111)
1309

>  <Formula> (111)
C9H12ClN3O4

>  <MolWeight> (111)
261.66228

>  <Item Name> (111)
Cyclocytidine HCl

>  <Catalog Number> (111)
S1973

>  <Synonyms> (111)
N/A 

>  <Target> (111)
Others

>  <Form> (111)
HCl

>  <URL> (111)
http://www.selleckchem.com/products/cyclocytidine-hcl.html

>  <CAS Number> (111)
10212-25-6

$$$$
Inosine.cdx
csChFnd80/02221609162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.7495    3.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6169    2.4602    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0495    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4495    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8822    2.4602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2295    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2696    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2901    2.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3954    2.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5280    2.8810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    4.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6954    4.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2628    2.8810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7954    5.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    6.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6954    6.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9954    5.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1905    5.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  1  6  0  0  0
  4  7  1  6  0  0  0
  2  8  1  1  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (112)
1330

>  <Formula> (112)
C10H12N4O5

>  <MolWeight> (112)
268.22608

>  <Item Name> (112)
Inosine

>  <Catalog Number> (112)
S2442

>  <Synonyms> (112)
N/A

>  <Target> (112)
Others

>  <Form> (112)
Free Base

>  <URL> (112)
http://www.selleckchem.com/products/inosine.html

>  <CAS Number> (112)
58-63-9

$$$$
Vanillin.cdx
csChFnd80/02221609162D

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  9 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (113)
1334

>  <Formula> (113)
C8H8O3

>  <MolWeight> (113)
152.14732

>  <Item Name> (113)
Vanillin 

>  <Catalog Number> (113)
S3071

>  <Synonyms> (113)
N/A

>  <Target> (113)
Others

>  <Form> (113)
Free Base

>  <URL> (113)
http://www.selleckchem.com/products/vanillin.html

>  <CAS Number> (113)
121-33-5

$$$$
Apocynin (acetovanillone).cdx
csChFnd80/02221609162D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (114)
1340

>  <Formula> (114)
C9H10O3

>  <MolWeight> (114)
166.1739

>  <Item Name> (114)
Apocynin (Acetovanillone)

>  <Catalog Number> (114)
S2425

>  <Synonyms> (114)
N/A

>  <Target> (114)
Others

>  <Form> (114)
Free Base

>  <URL> (114)
http://www.selleckchem.com/products/apocynin-acetovanillone.html

>  <CAS Number> (114)
498-02-2

$$$$
Guanosine.cdx
csChFnd80/02221609162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.6199    4.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    2.8755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0358    4.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9119    5.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8898    2.4260    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3397    2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4692    2.9113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7477    5.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6199    6.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7482    3.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4761    1.1295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0358    6.6540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
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  9 14  1  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  6  0  0  0
 15 18  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  6  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (115)
1354

>  <Formula> (115)
C10H13N5O5

>  <MolWeight> (115)
283.24072

>  <Item Name> (115)
Guanosine

>  <Catalog Number> (115)
S2439

>  <Synonyms> (115)
N/A

>  <Target> (115)
Others

>  <Form> (115)
Free base

>  <URL> (115)
http://www.selleckchem.com/products/guanosine.html

>  <CAS Number> (115)
118-00-3

$$$$
Triptolide.cdx
csChFnd80/02221609162D

 27 33  0  0  0  0  0  0  0  0999 V2000
    6.1099    4.3264    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3399    3.6242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1099    5.7263    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8800    3.6242    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3399    2.2287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5697    4.3264    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6089    3.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3399    6.4242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8800    2.2287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6502    4.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1099    1.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (116)
1365

>  <Formula> (116)
C20H24O6

>  <MolWeight> (116)
360.40096

>  <Item Name> (116)
Triptolide

>  <Catalog Number> (116)
S3604

>  <Synonyms> (116)
N/A

>  <Target> (116)
Others

>  <Form> (116)
Free Base

>  <URL> (116)
http://www.selleckchem.com/products/triptolide.html

>  <CAS Number> (116)
38748-32-2

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/02221609162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (117)
2081

>  <Formula> (117)
C15H12O7

>  <MolWeight> (117)
304.25158

>  <Item Name> (117)
Taxifolin (Dihydroquercetin)

>  <Catalog Number> (117)
S2366

>  <Synonyms> (117)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (117)
Others

>  <Form> (117)
Free Base

>  <URL> (117)
http://www.selleckchem.com/products/Taxifolin(Dihydroquercetin).html

>  <CAS Number> (117)
480-18-2

$$$$
Abscisic acid.cdx
csChFnd80/02221609162D

 19 19  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  7  2  0  0  0  0
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  5 12  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (118)
2360

>  <Formula> (118)
C15H20O4

>  <MolWeight> (118)
264.3169

>  <Item Name> (118)
Abscisic Acid (Dormin)

>  <Catalog Number> (118)
S7594

>  <Synonyms> (118)
Abscisin II

>  <Target> (118)
Others

>  <Form> (118)
Free Base

>  <URL> (118)
http://www.selleckchem.com/products/abscisic-acid-dormin.html

>  <CAS Number> (118)
21293-29-8

$$$$
Piperlongumine.cdx
csChFnd80/02221609162D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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 21 22  1  0  0  0  0
  8 23  2  0  0  0  0
M  END
>  <Mol_ID> (119)
2427

>  <Formula> (119)
C17H19NO5

>  <MolWeight> (119)
317.33646

>  <Item Name> (119)
Piperlongumine

>  <Catalog Number> (119)
S7551

>  <Synonyms> (119)
PPLGM

>  <Target> (119)
Others

>  <Form> (119)
Free Base

>  <URL> (119)
http://www.selleckchem.com/products/piperlongumine.html

>  <CAS Number> (119)
20069-09-4

$$$$
Licochalcone A.cdx
csChFnd80/02221609162D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  5  7  1  0  0  0  0
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 10 12  2  0  0  0  0
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 14 15  1  0  0  0  0
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 16 10  1  0  0  0  0
 12 17  1  0  0  0  0
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 17 20  1  0  0  0  0
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 19 24  1  0  0  0  0
 25 19  1  0  0  0  0
M  END
>  <Mol_ID> (120)
2538

>  <Formula> (120)
C21H22O4

>  <MolWeight> (120)
338.39698

>  <Item Name> (120)
Licochalcone A

>  <Catalog Number> (120)
S7828

>  <Synonyms> (120)
N/A

>  <Target> (120)
Estrogen/progestogen Receptor

>  <Form> (120)
Free Base

>  <URL> (120)
http://www.selleckchem.com/products/licochalcone-a.html

>  <CAS Number> (120)
58749-22-7

$$$$
Xanthohumol.cdx
csChFnd80/02221609162D

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
  5 15  1  0  0  0  0
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M  CFW   8 B_NG_STER 2
M  END
>  <Mol_ID> (121)
2547

>  <Formula> (121)
C21H22O5

>  <MolWeight> (121)
354.39638

>  <Item Name> (121)
Xanthohumol

>  <Catalog Number> (121)
S7889

>  <Synonyms> (121)
N/A

>  <Target> (121)
COX

>  <Form> (121)
Free Base

>  <URL> (121)
http://www.selleckchem.com/products/xanthohumol.html

>  <CAS Number> (121)
6754-58-1

$$$$
Oleuropein.cdx
csChFnd80/02221609162D

 39 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (122)
2593

>  <Formula> (122)
C25H32O13

>  <MolWeight> (122)
540.51378

>  <Item Name> (122)
Oleuropein

>  <Catalog Number> (122)
S7867

>  <Synonyms> (122)
N/A

>  <Target> (122)
Others

>  <Form> (122)
Free Base

>  <URL> (122)
http://www.selleckchem.com/products/oleuropein.html

>  <CAS Number> (122)
32619-42-4

$$$$
S4503.cdx
csChFnd80/02221609162D

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M  END
>  <Mol_ID> (123)
2608

>  <Formula> (123)
C18H32CaN2O10

>  <MolWeight> (123)
476.53208

>  <Item Name> (123)
Calcium D-Panthotenate

>  <Catalog Number> (123)
S4503

>  <Synonyms> (123)
D-Pantothenic Acid Calcium

>  <Target> (123)
Others

>  <Form> (123)
Free Base

>  <URL> (123)
http://www.selleckchem.com/products/calcium-d-panthotenate.html

>  <CAS Number> (123)
137-08-6

$$$$
Gossypol-a ceticacid.cdx
csChFnd80/02221609162D

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>  <Mol_ID> (124)
2612

>  <Formula> (124)
C32H34O10

>  <MolWeight> (124)
578.60636

>  <Item Name> (124)
Gossypol Acetate

>  <Catalog Number> (124)
S2303

>  <Synonyms> (124)
Pogosin, AT101

>  <Target> (124)
Dehydrogenase

>  <Form> (124)
Free Base

>  <URL> (124)
http://www.selleckchem.com/products/Gossypol.html

>  <CAS Number> (124)
12542-36-8

$$$$
