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212631-79-3

>  <URL> (3)
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$$$$
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391210-10-9

>  <URL> (4)
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301836-41-9

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p38 MAPK 

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Free Base

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152121-47-6

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http://www.selleckchem.com/products/SB-203580.html

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Free Base

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918505-84-7

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>  <Target> (11)
MEK

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Free Base

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167869-21-8

>  <URL> (11)
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c-Kit, Raf, VEGFR

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755037-03-7

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1094614-84-2

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>  <Mol_ID> (23)
348

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N/A

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MEK 

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Free Base

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391210-00-7 

>  <URL> (23)
http://www.selleckchem.com/products/PD318088.html

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/10222016472D

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353

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C31H37N5O3

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S1574

>  <Name> (24)
BIRB 796 (Doramapimod)

>  <Synonyms> (24)
N/A

>  <Target> (24)
p38 MAPK

>  <Form> (24)
Free Base

>  <CAS> (24)
285983-48-4

>  <URL> (24)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Methylthiouracil.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (25)
481

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C5H6N2OS

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142.17894

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S3138

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Methylthiouracil

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N/A

>  <Target> (25)
Others

>  <Form> (25)
Free Base

>  <CAS> (25)
20547

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (26)
486

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C4H12ClN5

>  <MolWeight> (26)
165.62458

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S1950

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Metformin hydrochloride (Glucophage)

>  <Synonyms> (26)
Glucophage, Riomet, Diabex

>  <Target> (26)
Others

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Hydrochloride

>  <CAS> (26)
1115-70-4

>  <URL> (26)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
GSK2118436.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (27)
615

>  <Formula> (27)
C23H20F3N5O2S2

>  <MolWeight> (27)
519.5624096

>  <Cat> (27)
S2807

>  <Name> (27)
Dabrafenib (GSK2118436)

>  <Synonyms> (27)
N/A 

>  <Target> (27)
Raf

>  <Form> (27)
Free Base

>  <CAS> (27)
1195765-45-7

>  <URL> (27)
http://www.selleckchem.com/products/dabrafenib-gsk2118436a.html

$$$$
AZD8330.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (28)
642

>  <Formula> (28)
C16H17FIN3O4

>  <MolWeight> (28)
461.2267532

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S2134

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AZD8330

>  <Synonyms> (28)
N/A 

>  <Target> (28)
MEK

>  <Form> (28)
Free Base

>  <CAS> (28)
869357-68-6

>  <URL> (28)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

$$$$
raf265.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (29)
657

>  <Formula> (29)
C24H16F6N6O

>  <MolWeight> (29)
518.4138592

>  <Cat> (29)
S2161

>  <Name> (29)
RAF265 (CHIR-265)

>  <Synonyms> (29)
N/A 

>  <Target> (29)
Raf, VEGFR

>  <Form> (29)
Free Base

>  <CAS> (29)
927880-90-8

>  <URL> (29)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

$$$$
raf265.cdx
csChFnd80/10222016472D

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M  END
>  <Mol_ID> (30)
677

>  <Formula> (30)
C23H14F6N6O

>  <MolWeight> (30)
504.3872792

>  <Cat> (30)
S2200

>  <Name> (30)
Raf265 derivative

>  <Synonyms> (30)
N/A

>  <Target> (30)
VEGFR, Raf

>  <Form> (30)
Free Base

>  <CAS> (30)
N/A

>  <URL> (30)
http://www.selleckchem.com/products/Raf265-derivative.html

$$$$
NVP-BHG712.cdx
csChFnd80/10222016472D

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M  END
>  <Mol_ID> (31)
679

>  <Formula> (31)
C26H20F3N7O

>  <MolWeight> (31)
503.4785096

>  <Cat> (31)
S2202

>  <Name> (31)
NVP-BHG712

>  <Synonyms> (31)
N/A

>  <Target> (31)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (31)
Free Base

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940310-85-0

>  <URL> (31)
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Raf

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Free Base

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405554-55-4 

>  <URL> (32)
http://www.selleckchem.com/products/SB590885.html

$$$$
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(-)-Epigallocatechin gallate

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EGCG

>  <Target> (33)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (33)
Free Base

>  <CAS> (33)
989-51-5

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

$$$$
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Aesculin (Esculin)

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Esculin

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Others

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Free Base

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531-75-9

>  <URL> (34)
http://www.selleckchem.com/products/Aesculin(Esculin).html

$$$$
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520-36-5

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   10.9077    8.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    8.7249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.8249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953   10.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.9249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.5297    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
  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
  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
  1 23  1  6  0  0  0
  4 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 21 27  1  6  0  0  0
  3 28  1  6  0  0  0
  2 29  1  1  0  0  0
  3 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
 22 34  1  1  0  0  0
 17 35  1  1  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 28 38  1  0  0  0  0
M  END
>  <Mol_ID> (36)
700

>  <Formula> (36)
C30H48O5

>  <MolWeight> (36)
488.69912

>  <Cat> (36)
S2266

>  <Name> (36)
Asiatic acid

>  <Synonyms> (36)
N/A

>  <Target> (36)
p38 MAPK

>  <Form> (36)
Free Base

>  <CAS> (36)
464-92-6

>  <URL> (36)
http://www.selleckchem.com/products/Asiatic-acid.html

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/10222016472D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    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
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7927    0.0000 C   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
    7.2704    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    7.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662    8.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7739    8.3621    0.0000 O   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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    0.0000 O   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
    5.6214    0.0802    0.0000 Cl  0  5  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  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
  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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (37)
708

>  <Formula> (37)
C20H18ClNO4

>  <MolWeight> (37)
371.81422

>  <Cat> (37)
S2271

>  <Name> (37)
Berberine chloride

>  <Synonyms> (37)
N/A

>  <Target> (37)
Antifection

>  <Form> (37)
chloride

>  <CAS> (37)
633-65-8

>  <URL> (37)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

$$$$
Glycyrrhizic acid.cdx
csChFnd80/10222016472D

 61 67  0  0  0  0  0  0  0  0999 V2000
    9.6869    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8993    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3242    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7490    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7490    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9615    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739    9.7879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9615   10.4879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3863   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3863   11.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9615   11.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9615    9.0879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739   11.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1639   13.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3763   12.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1639   14.9778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1993    4.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5993    4.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2662    7.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    7.6903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    5.5903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1840   13.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7490    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    6.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.8879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   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
    1.2082    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   10.4830    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  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
  2 23  1  1  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 18 26  1  1  0  0  0
 17 27  1  1  0  0  0
 21 28  1  1  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 14 31  2  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
 23 34  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 21 40  1  6  0  0  0
 11 41  1  6  0  0  0
 10 42  1  6  0  0  0
  4 43  1  6  0  0  0
 37 44  1  6  0  0  0
 39 45  1  6  0  0  0
 45 46  1  0  0  0  0
 46 47  1  1  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 46  1  0  0  0  0
 36 52  1  1  0  0  0
 38 53  1  1  0  0  0
 50 54  1  1  0  0  0
 48 55  1  1  0  0  0
 49 56  1  6  0  0  0
 51 57  1  6  0  0  0
 55 58  1  0  0  0  0
 55 59  2  0  0  0  0
 52 60  1  0  0  0  0
 52 61  2  0  0  0  0
M  END
>  <Mol_ID> (38)
726

>  <Formula> (38)
C42H62O16

>  <MolWeight> (38)
822.93208

>  <Cat> (38)
S2302

>  <Name> (38)
Glycyrrhizin (Glycyrrhizic Acid)

>  <Synonyms> (38)
N/A

>  <Target> (38)
Others

>  <Form> (38)
Free Base

>  <CAS> (38)
1405-86-3

>  <URL> (38)
http://www.selleckchem.com/products/Glycyrrhizic-acid.html

$$$$
Hesperetin.cdx
csChFnd80/10222016472D

 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
    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
    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
    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
    7.2662    5.5927    0.0000 C   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
    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
   12.1075    5.5927    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (39)
731

>  <Formula> (39)
C16H14O6

>  <MolWeight> (39)
302.27876

>  <Cat> (39)
S2308

>  <Name> (39)
Hesperetin

>  <Synonyms> (39)
N/A

>  <Target> (39)
Histamine Receptor

>  <Form> (39)
Free Base

>  <CAS> (39)
520-33-2

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

$$$$
Honokiol.cdx
csChFnd80/10222016472D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
  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 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (40)
733

>  <Formula> (40)
C18H18O2

>  <MolWeight> (40)
266.33432

>  <Cat> (40)
S2310

>  <Name> (40)
Honokiol

>  <Synonyms> (40)
N/A

>  <Target> (40)
Akt, MEK

>  <Form> (40)
Free Base

>  <CAS> (40)
35354-74-6

>  <URL> (40)
http://www.selleckchem.com/products/Honokiol.html

$$$$
Myricetin.cdx
csChFnd80/10222016472D

 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
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    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
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    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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    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    1.3976    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
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    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  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
  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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 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> (41)
745

>  <Formula> (41)
C15H10O8

>  <MolWeight> (41)
318.2351

>  <Cat> (41)
S2326

>  <Name> (41)
Myricetin (Cannabiscetin)

>  <Synonyms> (41)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (41)
NULL

>  <Form> (41)
Free Base

>  <CAS> (41)
529-44-2

>  <URL> (41)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

$$$$
Myricitrin.cdx
csChFnd80/10222016472D

 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
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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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  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
  3 12  1  0  0  0  0
  7 13  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
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
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 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> (42)
746

>  <Formula> (42)
C21H20O12

>  <MolWeight> (42)
464.3763

>  <Cat> (42)
S2327

>  <Name> (42)
Myricitrin (Myricitrine)

>  <Synonyms> (42)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (42)
PKC

>  <Form> (42)
Free Base

>  <CAS> (42)
17912-87-7

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

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/10222016472D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  2  0  0  0  0
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 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (43)
776

>  <Formula> (43)
C18H29ClN2O

>  <MolWeight> (43)
324.88866

>  <Cat> (43)
S2454

>  <Name> (43)
Bupivacaine hydrochloride (Marcain)

>  <Synonyms> (43)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (43)
Sodium Channel

>  <Form> (43)
Hydrochloride

>  <CAS> (43)
18010-40-7

>  <URL> (43)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

$$$$
TAK733.cdx
csChFnd80/10222016472D

 28 30  0  0  0  0  0  0  0  0999 V2000
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929

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C23H23N3O3

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N/A

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Raf

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Free Base

>  <CAS> (48)
208260-29-1

>  <URL> (48)
http://www.selleckchem.com/products/zm-336372.html

$$$$
PH797804.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (49)
945

>  <Formula> (49)
C22H19BrF2N2O3

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S2726

>  <Name> (49)
PH-797804

>  <Synonyms> (49)
N/A

>  <Target> (49)
p38 MAPK

>  <Form> (49)
Free Base

>  <CAS> (49)
586379-66-0

>  <URL> (49)
http://www.selleckchem.com/products/ph-797804.html

$$$$
ALPHACAINE (lidocaine).cdx
csChFnd80/10222016472D

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>  <Mol_ID> (50)
1030

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C14H22N2O

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234.33728

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S1357

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Lidocaine (Alphacaine)

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Alphacaine, Xylocaine, lignocaine

>  <Target> (50)
Histamine Receptor

>  <Form> (50)
Free Base

>  <CAS> (50)
137-58-6

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

$$$$
Sodium salicylate.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (51)
1036

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C7H6NaO3

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S3137

>  <Name> (51)
Sodium salicylate

>  <Synonyms> (51)
N/A 

>  <Target> (51)
NF-¦ÊB

>  <Form> (51)
sodium salt

>  <CAS> (51)
54-21-7

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

$$$$
WHI-P154.cdx
csChFnd80/10222016472D

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1090

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C16H14BrN3O3

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376.20466

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S2867

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WHI-P154

>  <Synonyms> (52)
N/A

>  <Target> (52)
JAK, EGFR

>  <Form> (52)
Free Base

>  <CAS> (52)
211555-04-3

>  <URL> (52)
http://www.selleckchem.com/products/whi-p154.html

$$$$
BI-D1870.cdx
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>  <Mol_ID> (53)
1130

>  <Formula> (53)
C19H23F2N5O2

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391.4150264

>  <Cat> (53)
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>  <Name> (53)
BI-D1870

>  <Synonyms> (53)
N/A

>  <Target> (53)
S6 Kinase

>  <Form> (53)
Free Base

>  <CAS> (53)
501437-28-1

>  <URL> (53)
http://www.selleckchem.com/products/bi-d1870.html

$$$$
TAK 715.cdx
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1410880-22-6

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http://www.selleckchem.com/products/jnk-in-8.html

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    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    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
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
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  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
 14 15  1  0  0  0  0
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 10 20  2  0  0  0  0
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 24 25  1  0  0  0  0
 22 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 15  1  0  0  0  0
 17 31  1  1  0  0  0
M  END
>  <Mol_ID> (58)
1504

>  <Formula> (58)
C19H20F3IN2O5S

>  <MolWeight> (58)
572.3371796

>  <Cat> (58)
S1089

>  <Name> (58)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (58)
BAY 869766

>  <Target> (58)
MEK

>  <Form> (58)
Free Base

>  <CAS> (58)
923032-37-5

>  <URL> (58)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/10222016472D

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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
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
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M  END
>  <Mol_ID> (59)
1689

>  <Formula> (59)
C14H23ClN2O

>  <MolWeight> (59)
270.79822

>  <Cat> (59)
S4667

>  <Name> (59)
Lidocaine hydrochloride

>  <Synonyms> (59)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (59)
Others

>  <Form> (59)
hydrochloride

>  <CAS> (59)
73-78-9

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

$$$$
S3654 Tauroursodeoxycholic Acid.cdx
csChFnd80/10222016472D

 38 41  0  0  0  0  0  0  0  0999 V2000
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   10.7810    9.8848    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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  3  9  1  1  0  0  0
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  7 15  1  0  0  0  0
  7 10  1  1  0  0  0
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 11 16  1  0  0  0  0
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 13 16  1  0  0  0  0
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 16 38  1  1  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (60)
1875

>  <Formula> (60)
C26H45NO6S

>  <MolWeight> (60)
499.7036

>  <Cat> (60)
S3654

>  <Name> (60)
Tauroursodeoxycholic Acid

>  <Synonyms> (60)
N/A

>  <Target> (60)
Others

>  <Form> (60)
free base

>  <CAS> (60)
14605-22-2

>  <URL> (60)
http://www.selleckchem.com/products/tauroursodeoxycholic-acid.html

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/10222016472D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (61)
1878

>  <Formula> (61)
C16H16O4

>  <MolWeight> (61)
272.29584

>  <Cat> (61)
S3940

>  <Name> (61)
3'-Hydroxypterostilbene

>  <Synonyms> (61)
3'-HPT

>  <Target> (61)
Others

>  <Form> (61)
free base

>  <CAS> (61)
475231-21-1

>  <URL> (61)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3824 Quercitrin.cdx
csChFnd80/10222016472D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (62)
1896

>  <Formula> (62)
C21H20O11

>  <MolWeight> (62)
448.3769

>  <Cat> (62)
S3824

>  <Name> (62)
Quercitrin

>  <Synonyms> (62)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (62)
Others

>  <Form> (62)
free base

>  <CAS> (62)
522-12-3

>  <URL> (62)
http://www.selleckchem.com/products/quercitrin.html

$$$$
S3840 Baohuoside I.cdx
csChFnd80/10222016472D

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M  END
>  <Mol_ID> (63)
1907

>  <Formula> (63)
C27H30O10

>  <MolWeight> (63)
514.5211

>  <Cat> (63)
S3840

>  <Name> (63)
Baohuoside I

>  <Synonyms> (63)
Icariside II

>  <Target> (63)
ROS

>  <CAS> (63)
113558-15-9

>  <URL> (63)
http://www.selleckchem.com/products/baohuoside-i.html

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/10222016472D

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M  END
>  <Mol_ID> (64)
1952

>  <Formula> (64)
C48H82O18

>  <MolWeight> (64)
947.15388

>  <Cat> (64)
S3811

>  <Name> (64)
Ginsenoside Re

>  <Synonyms> (64)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (64)
Others

>  <Form> (64)
free base

>  <CAS> (64)
52286-59-6

>  <URL> (64)
http://www.selleckchem.com/products/ginsenoside-re.html

$$$$
S3892 Isopsoralen.cdx
csChFnd80/10222016472D

 14 16  0  0  0  0  0  0  0  0999 V2000
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (65)
1960

>  <Formula> (65)
C11H6O3

>  <MolWeight> (65)
186.16354

>  <Cat> (65)
S3892

>  <Name> (65)
Isopsoralen

>  <Synonyms> (65)
angelicin

>  <Target> (65)
Immunology & Inflammation related

>  <Form> (65)
free base

>  <CAS> (65)
523-50-2

>  <URL> (65)
http://www.selleckchem.com/products/isopsoralen.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/10222016472D

 58 65  0  0  0  0  0  0  0  0999 V2000
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   12.1480    9.2364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9007    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
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 30 25  1  1  0  0  0
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 26 32  1  0  0  0  0
 26 33  1  6  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
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 31 38  1  0  0  0  0
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 36 43  1  0  0  0  0
 36 44  1  6  0  0  0
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 38 39  1  0  0  0  0
 40 47  1  6  0  0  0
 41 48  1  0  0  0  0
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 43 50  1  1  0  0  0
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 49 54  1  6  0  0  0
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M  END
>  <Mol_ID> (66)
1980

>  <Formula> (66)
C41H68O14

>  <MolWeight> (66)
784.97022

>  <Cat> (66)
S3901

>  <Name> (66)
Astragaloside IV

>  <Synonyms> (66)
AST-IV, AS-IV

>  <Target> (66)
Others

>  <Form> (66)
free base

>  <CAS> (66)
84687-43-4

>  <URL> (66)
http://www.selleckchem.com/products/sastragaloside-iv.html

$$$$
S4990 TBHQ.cdx
csChFnd80/10222016472D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8386    1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261    1.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5424    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510    0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1423    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    3.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    1.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    3.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8208    3.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    3.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
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  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (67)
2181

>  <Formula> (67)
C10H14O2

>  <MolWeight> (67)
166.21696

>  <Cat> (67)
S4990

>  <Name> (67)
TBHQ

>  <Synonyms> (67)
Tert-butylhydroquinone

>  <Target> (67)
Nrf2

>  <Form> (67)
free base

>  <CAS> (67)
1948-33-0

>  <URL> (67)
http://selleckchem.com/products/tbhq.html

$$$$
S4953 Usnic acid.cdx
csChFnd80/10222016472D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    3.6216    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (68)
2213

>  <Formula> (68)
C18H16O7

>  <MolWeight> (68)
344.31544

>  <Cat> (68)
S4953

>  <Name> (68)
Usnic acid

>  <Synonyms> (68)
Usniacin

>  <Target> (68)
Others

>  <Form> (68)
free base

>  <CAS> (68)
125-46-2

>  <URL> (68)
http://selleckchem.com/products/usnic-acid.html

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/10222016472D

 16 17  0  0  0  0  0  0  0  0999 V2000
    8.6046    2.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2729    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (69)
2231

>  <Formula> (69)
C10H13N5O

>  <MolWeight> (69)
219.24312

>  <Cat> (69)
S4884

>  <Name> (69)
Trans-Zeatin

>  <Synonyms> (69)
(E)-Zeatin

>  <Target> (69)
Others

>  <CAS> (69)
1637-39-4

>  <URL> (69)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4959 Skatole.cdx
csChFnd80/10222016472D

 10 11  0  0  0  0  0  0  0  0999 V2000
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    1.2198    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548    0.2584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5817    1.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    3.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0049    2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (70)
2246

>  <Formula> (70)
C9H9N

>  <MolWeight> (70)
131.17446

>  <Cat> (70)
S4959

>  <Name> (70)
Skatole

>  <Synonyms> (70)
3-methylindole, Scatole

>  <Target> (70)
Anti-infection

>  <CAS> (70)
83-34-1

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

$$$$
S3785 Notoginsenoside R1.cdx
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2271

>  <Formula> (71)
C47H80O18

>  <MolWeight> (71)
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>  <Cat> (71)
S3785

>  <Name> (71)
Notoginsenoside R1

>  <Synonyms> (71)
Sanchinoside R1

>  <Target> (71)
Others

>  <Form> (71)
free base

>  <CAS> (71)
80418-24-2

>  <URL> (71)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
GW 5074.cdx
csChFnd80/10222016472D

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C15H8Br2INO2

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GW5074

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N/A

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Raf

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free base

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220904-83-6

>  <URL> (72)
http://selleckchem.com/products/gw5074.html

$$$$

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1188910-76-0

>  <URL> (73)
http://www.selleckchem.com/products/cep-32496.html

$$$$
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Free Base

>  <CAS> (77)
1168091-68-6

>  <URL> (77)
http://www.selleckchem.com/products/gdc-0623.html

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/10222016472D

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>  <Cat> (78)
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>  <Name> (78)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (78)
N/A

>  <Target> (78)
Antifection

>  <Form> (78)
sodium salt

>  <CAS> (78)
35807-85-3

>  <URL> (78)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
SB239063.cdx
csChFnd80/10222016472D

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C20H21FN4O2

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SB239063

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N/A

>  <Target> (79)
p38 MAPK

>  <Form> (79)
Free Base

>  <CAS> (79)
193551-21-2

>  <URL> (79)
http://www.selleckchem.com/products/sb239063.html

$$$$
ONC201.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (80)
2550

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C24H26N4O

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TIC10

>  <Synonyms> (80)
N/A

>  <Target> (80)
Akt

>  <Form> (80)
Free Base

>  <CAS> (80)
1616632-77-9

>  <URL> (80)
http://www.selleck.cn/products/tic-10.html

$$$$
S3813 Bakuchiol.cdx
csChFnd80/10222016472D

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Bakuchiol

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(S)-(+)-Bakuchiol

>  <Target> (81)
Immunology & Inflammation related

>  <Form> (81)
free base

>  <CAS> (81)
10309-37-2

>  <URL> (81)
http://www.selleckchem.com/products/bakuchiol.html

$$$$
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M  END
>  <Mol_ID> (82)
2618

>  <Formula> (82)
C17H15BrF2N4O3

>  <MolWeight> (82)
441.2268064

>  <Cat> (82)
S7007

>  <Name> (82)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (82)
N/A

>  <Target> (82)
MEK

>  <Form> (82)
Free Base

>  <CAS> (82)
606143-89-9

>  <URL> (82)
http://www.selleckchem.com/products/mek162.html

$$$$
TIC10.cdx
csChFnd80/10222016472D

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M  END
>  <Mol_ID> (83)
2623

>  <Formula> (83)
C24H26N4O

>  <MolWeight> (83)
386.48944

>  <Cat> (83)
S7127

>  <Name> (83)
TIC10 analogue

>  <Synonyms> (83)
TRAIL-inducing Compound 10

>  <Target> (83)
Akt

>  <Form> (83)
Free Base

>  <CAS> (83)
41276-02-2

>  <URL> (83)
http://www.selleckchem.com/products/tic10.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (84)
2640

>  <Formula> (84)
C26H27N5O5S2

>  <MolWeight> (84)
553.65308

>  <Cat> (84)
S7207

>  <Name> (84)
Ro 31-8220 Mesylate

>  <Synonyms> (84)
Bisindolylmaleimide IX Mesylate

>  <Target> (84)
PKC

>  <Form> (84)
Mesylate

>  <CAS> (84)
138489-18-6

>  <URL> (84)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
Skepinone-L.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (85)
2654

>  <Formula> (85)
C24H21F2NO4

>  <MolWeight> (85)
425.4246464

>  <Cat> (85)
S7214

>  <Name> (85)
Skepinone-L

>  <Synonyms> (85)
N/A

>  <Target> (85)
p38 MAPK

>  <Form> (85)
Free Base

>  <CAS> (85)
1221485-83-1

>  <URL> (85)
http://www.selleckchem.com/products/skepinone-l.html

$$$$
Sorafenib.cdx
csChFnd80/10222016472D

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MNK

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522629-08-9

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AZD9291

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N/A

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EGFR

>  <Form> (88)
Free Base

>  <CAS> (88)
1421373-65-0

>  <URL> (88)
http://www.selleckchem.com/products/azd9291.html

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p38 MAPK

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585543-15-3

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Rho

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Free Base

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71203-35-5

>  <URL> (94)
http://www.selleckchem.com/products/ml141.html

$$$$
Piperlongumine.cdx
csChFnd80/10222016472D

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C17H19NO5

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PPLGM

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ROS,CRM

>  <Form> (95)
Free Base

>  <CAS> (95)
20069-09-4

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

$$$$
AT13148.cdx
csChFnd80/10222016472D

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2956

>  <Formula> (96)
C17H16ClN3O

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AT13148

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N/A

>  <Target> (96)
Akt

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Free Base

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1056901-62-2

>  <URL> (96)
http://www.selleckchem.com/products/at13148.html

$$$$
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>  <Mol_ID> (97)
2988

>  <Formula> (97)
C28H27F4N7O3S

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>  <Name> (97)
LY2584702 tosylate

>  <Synonyms> (97)
N/A

>  <Target> (97)
S6 Kinase

>  <Form> (97)
Free Base

>  <CAS> (97)
1082949-68-5

>  <URL> (97)
http://www.selleckchem.com/products/ly2584702-tosylate.html

$$$$
Anisomycin.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (98)
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C14H19NO4

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>  <Synonyms> (98)
Flagecidin 

>  <Target> (98)
JNK

>  <Form> (98)
Free Base

>  <CAS> (98)
22862-76-6

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

$$$$
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C36H46N8O3

>  <MolWeight> (99)
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>  <Cat> (99)
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ERK5-IN-1

>  <Synonyms> (99)
N/A

>  <Target> (99)
ERK

>  <Form> (99)
Free Base

>  <CAS> (99)
1435488-37-1

>  <URL> (99)
http://www.selleckchem.com/products/erk5-in-1.html

$$$$
ARRY-614.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (100)
3048

>  <Formula> (100)
C31H33FN6O3

>  <MolWeight> (100)
556.6305232

>  <Cat> (100)
S7799

>  <Name> (100)
Pexmetinib (ARRY-614)

>  <Synonyms> (100)
N/A

>  <Target> (100)
p38 MAPK

>  <Form> (100)
Free Base

>  <CAS> (100)
945614-12-0

>  <URL> (100)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

$$$$
LY3009120.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (101)
3050

>  <Formula> (101)
C23H29FN6O

>  <MolWeight> (101)
424.5143632

>  <Cat> (101)
S7842

>  <Name> (101)
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>  <Synonyms> (101)
N/A

>  <Target> (101)
Raf

>  <Form> (101)
Free Base

>  <CAS> (101)
1454682-72-4

>  <URL> (101)
http://www.selleckchem.com/products/ly3009120.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/10222016472D

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934660-93-2

>  <URL> (102)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
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ERK

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869886-67-9

>  <URL> (103)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
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Licochalcone A

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N/A

>  <Target> (104)
Estrogen/progestogen Receptor

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Free Base

>  <CAS> (104)
58749-22-7

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

$$$$

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181223-80-3

>  <URL> (105)
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$$$$
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Raf

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946128-88-7

>  <URL> (106)
http://www.selleckchem.com/products/ro5126766-ch5126766.html

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896720-20-0

>  <URL> (107)
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>  <Form> (108)
Free Base

>  <CAS> (108)
1627709-94-7

>  <URL> (108)
http://www.selleckchem.com/products/lji308.html

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>  <Form> (109)
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1627710-50-2

>  <URL> (109)
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Raf

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Free Base

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1393465-84-3

>  <URL> (114)
http://www.selleckchem.com/products/plx7904.html

$$$$
BI-78D3.cdx
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BI-78D3

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JNK

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883065-90-5

>  <URL> (115)
http://www.selleckchem.com/products/bi-78d3.html

$$$$
NQDI-1.cdx
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3213

>  <Formula> (116)
C19H13NO4

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319.31082

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S8289

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NQDI-1

>  <Synonyms> (116)
N/A

>  <Target> (116)
Caspase

>  <Form> (116)
Free Base

>  <CAS> (116)
175026-96-7

>  <URL> (116)
http://www.selleckchem.com/products/nqdi-1.html

$$$$
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>  <Mol_ID> (117)
3247

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Selonsertib (GS-4997)

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>  <Target> (117)
Caspase

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1448428-04-3

>  <URL> (117)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

$$$$
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M  END
>  <Mol_ID> (118)
3261

>  <Formula> (118)
C28H28ClN3O3

>  <MolWeight> (118)
489.99322

>  <Cat> (118)
S7959

>  <Name> (118)
SIS3 HCl

>  <Synonyms> (118)
N/A

>  <Target> (118)
TGF-beta/Smad

>  <Form> (118)
hydrochloride

>  <CAS> (118)
521984-48-5

>  <URL> (118)
http://www.selleckchem.com/products/sis3.html

$$$$
Necrosulfonamide.cdx
csChFnd80/10222016472D

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.0903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (119)
3274

>  <Formula> (119)
C18H15N5O6S2

>  <MolWeight> (119)
461.4716

>  <Cat> (119)
S8251

>  <Name> (119)
Necrosulfonamide

>  <Synonyms> (119)
N/A

>  <Target> (119)
Others

>  <Form> (119)
Free Base

>  <CAS> (119)
1360614-48-7

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

$$$$
APS-2-79.cdx
csChFnd80/10222016472D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (120)
3281

>  <Formula> (120)
C23H22ClN3O3

>  <MolWeight> (120)
423.89208

>  <Cat> (120)
S8355

>  <Name> (120)
APS-2-79 HCl

>  <Synonyms> (120)
N/A

>  <Target> (120)
MEK

>  <Form> (120)
hydrochloride

>  <CAS> (120)
2002381-31-7

>  <URL> (120)
http://www.selleckchem.com/products/aps-2-79.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/10222016472D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (121)
3295

>  <Formula> (121)
C22H15F3N4O2

>  <MolWeight> (121)
424.3753096

>  <Cat> (121)
S8189

>  <Name> (121)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (121)
N/A

>  <Target> (121)
VEGFR

>  <Form> (121)
Free Base

>  <CAS> (121)
861875-60-7

>  <URL> (121)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/10222016472D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (122)
3299

>  <Formula> (122)
C19H20F2N4O4

>  <MolWeight> (122)
406.3833064

>  <Cat> (122)
S8125

>  <Name> (122)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (122)
N/A

>  <Target> (122)
p38 MAPK

>  <Form> (122)
Free Base

>  <CAS> (122)
449811-01-2

>  <URL> (122)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
OTS514.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (123)
3367

>  <Formula> (123)
C21H21ClN2O2S

>  <MolWeight> (123)
400.92164

>  <Cat> (123)
S7652

>  <Name> (123)
OTS514 hydrochloride

>  <Synonyms> (123)
N/A

>  <Target> (123)
TOPK

>  <Form> (123)
hydrochloride

>  <CAS> (123)
1338540-63-8(free base)

>  <URL> (123)
http://www.selleckchem.com/products/ots514.html

$$$$
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csChFnd80/10222016472D

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>  <Mol_ID> (124)
3373

>  <Formula> (124)
C17H20N6O2

>  <MolWeight> (124)
340.3797

>  <Cat> (124)
S8275

>  <Name> (124)
eFT-508 (eFT508)

>  <Synonyms> (124)
N/A

>  <Target> (124)
MNK

>  <Form> (124)
Free Base

>  <CAS> (124)
1849590-01-7

>  <URL> (124)
http://www.selleckchem.com/products/eft-508.html

$$$$
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>  <Mol_ID> (125)
3376

>  <Formula> (125)
C27H24FN7O3

>  <MolWeight> (125)
513.5229632

>  <Cat> (125)
S7743

>  <Name> (125)
CCT196969

>  <Synonyms> (125)
N/A

>  <Target> (125)
Raf

>  <Form> (125)
Free Base

>  <CAS> (125)
1163719-56-9

>  <URL> (125)
http://www.selleckchem.com/products/cct196969.html

$$$$
OTS964.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (126)
3404

>  <Formula> (126)
C23H26Cl2N2O2S

>  <MolWeight> (126)
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>  <Cat> (126)
S7648

>  <Name> (126)
OTS964

>  <Synonyms> (126)
N/A

>  <Target> (126)
Others

>  <Form> (126)
dihydrochloride

>  <CAS> (126)
1338545-07-5(HCl salt)

>  <URL> (126)
http://www.selleckchem.com/products/ots964.html

$$$$
CC-930.cdx
csChFnd80/10222016472D

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JNK

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hydrochloride

>  <CAS> (127)
899805-25-5 (free base)

>  <URL> (127)
http://www.selleckchem.com/products/cc-930.html

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3435

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C22H19F4N7O

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473.4261728

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AD80

>  <Synonyms> (128)
N/A

>  <Target> (128)
Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

>  <Form> (128)
free base

>  <CAS> (128)
1384071-99-1

>  <URL> (128)
http://www.selleckchem.com/products/ad80.html

$$$$
LY3214996.cdx
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N/A

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ERK1,ERK2

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free base

>  <CAS> (129)
1951483-29-6

>  <URL> (129)
http://www.selleckchem.com/products/ly3214996.html

$$$$
Takinib.cdx
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free base

>  <CAS> (130)
1111556-37-6

>  <URL> (130)
http://www.selleckchem.com/products/takinib.html

$$$$
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M  END
>  <Mol_ID> (131)
3651

>  <Formula> (131)
C21H17ClF4N4O4

>  <MolWeight> (131)
500.8306928

>  <Cat> (131)
S5077

>  <Name> (131)
Regorafenib Monohydrate

>  <Synonyms> (131)
N/A

>  <Target> (131)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (131)
monohydrate

>  <CAS> (131)
1019206-88-2

>  <URL> (131)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
RAF709.cdx
csChFnd80/10222016472D

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M  END
>  <Mol_ID> (132)
3700

>  <Formula> (132)
C28H29F3N4O4

>  <MolWeight> (132)
542.5494696

>  <Cat> (132)
S8690

>  <Name> (132)
RAF709

>  <Synonyms> (132)
N/A

>  <Target> (132)
Raf

>  <Form> (132)
free base

>  <CAS> (132)
1628838-42-5

>  <URL> (132)
http://selleckchem.com/products/raf709.html

$$$$
Cu-CPT22.cdx
csChFnd80/10222016472D

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M  END
>  <Mol_ID> (133)
3715

>  <Formula> (133)
C19H22O7

>  <MolWeight> (133)
362.37378

>  <Cat> (133)
S8677

>  <Name> (133)
Cu-CPT22

>  <Synonyms> (133)
N/A

>  <Target> (133)
TLR

>  <Form> (133)
free base

>  <CAS> (133)
1416324-85-0

>  <URL> (133)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/10222016472D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (134)
3831

>  <Formula> (134)
C21H28O2

>  <MolWeight> (134)
312.44582

>  <Cat> (134)
S3792

>  <Name> (134)
Guggulsterone E&Z

>  <Synonyms> (134)
N/A

>  <Target> (134)
FXR

>  <Form> (134)
free base

>  <CAS> (134)
95975-55-6

>  <URL> (134)
http://selleckchem.com/products/guggulsterone.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/10222016472D

 40 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (135)
3845

>  <Formula> (135)
C24H24F3N5O5S3

>  <MolWeight> (135)
615.6680696

>  <Cat> (135)
S5069

>  <Name> (135)
Dabrafenib Mesylate

>  <Synonyms> (135)
GSK2118436 Mesylate

>  <Target> (135)
Raf

>  <Form> (135)
mesylate

>  <CAS> (135)
1195768-06-9

>  <URL> (135)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/10222016472D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (136)
3918

>  <Formula> (136)
C11H12O4

>  <MolWeight> (136)
208.21058

>  <Cat> (136)
S5451

>  <Name> (136)
Ferulic acid methyl ester

>  <Synonyms> (136)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (136)
Immunology & Inflammation related

>  <Form> (136)
free base

>  <CAS> (136)
149567

>  <URL> (136)
http://selleckchem.com/products/ferulic-acid-methylester.html

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/10222016472D

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M  END
>  <Mol_ID> (137)
3934

>  <Formula> (137)
C27H30O15

>  <MolWeight> (137)
594.5181

>  <Cat> (137)
S5468

>  <Name> (137)
Kaempferol-3-O-glucorhamnoside

>  <Synonyms> (137)
Kaempferol 3-neohesperidoside

>  <Target> (137)
Others

>  <Form> (137)
salt

>  <CAS> (137)
40437-72-7

>  <URL> (137)
http://selleckchem.com/products/kaempferol-3-o-glucorhamnoside.html

$$$$
UM-164.cdx
csChFnd80/10222016472D

 45 49  0  0  0  0  0  0  0  0999 V2000
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 34 45  1  0  0  0  0
M  END
>  <Mol_ID> (138)
4015

>  <Formula> (138)
C30H31F3N8O3S

>  <MolWeight> (138)
640.6791496

>  <Cat> (138)
S8706

>  <Name> (138)
UM-164

>  <Synonyms> (138)
N/A

>  <Target> (138)
Src,p38 MAPK

>  <Form> (138)
free base

>  <CAS> (138)
903564-48-7

>  <URL> (138)
http://selleckchem.com/products/um-164.html

$$$$
S5373 Pseudolaric Acid B.cdx
csChFnd80/10222016472D

 32 34  0  0  0  0  0  0  0  0999 V2000
    7.1943    7.1047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1943    8.5047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3730    6.4101    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2523    6.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1943    5.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4519    8.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8680    9.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6045    7.0731    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8047    7.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6102    6.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9944    4.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3730   10.5467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4625    6.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6890    7.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7890    5.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9944    3.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9729    4.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3155    7.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3096    1.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7678    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7412    1.4156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  6  0  0  0
  3 32  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
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  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  1  0  0  0
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 15 18  2  0  0  0  0
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 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
M  END
>  <Mol_ID> (139)
4043

>  <Formula> (139)
C23H28O8

>  <MolWeight> (139)
432.46362

>  <Cat> (139)
S5373

>  <Name> (139)
Pseudolaric Acid B

>  <Synonyms> (139)
N/A

>  <Target> (139)
p38

>  <Form> (139)
S5369

>  <CAS> (139)
82508-31-4 

>  <URL> (139)
http://selleckchem.com/products/.html

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/10222016472D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  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
    2.4249    2.8000    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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   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
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (140)
4127

>  <Formula> (140)
C8H8O3

>  <MolWeight> (140)
152.14732

>  <Cat> (140)
S9374

>  <Name> (140)
2',5'-Dihydroxyacetophenone

>  <CAS> (140)
490-78-8

$$$$
S9385 Ligustilide.cdx
csChFnd80/10222016472D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4307    3.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    1.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    3.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    3.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    1.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    1.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5412    2.5159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2139    4.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2139    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5878    5.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0379    6.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4118    6.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
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  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (141)
4130

>  <Formula> (141)
C12H14O2

>  <MolWeight> (141)
190.23836

>  <Cat> (141)
S9385

>  <Name> (141)
Ligustilide

>  <CAS> (141)
4431-01-0

$$$$
S9408 Beta-Elemonic.cdx
csChFnd80/10222016472D

 35 38  0  0  0  0  0  0  0  0999 V2000
    7.3321    4.3025    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0950    3.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    5.7025    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6354    3.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    2.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9122    4.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0950    2.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6354    6.1612    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0950    6.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    7.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4923    5.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6812    3.6205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9122    5.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9122    1.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0155    7.4826    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.9629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7147    7.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7046    6.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0260    6.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3665    4.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0354    6.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  6  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
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  8 15  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  1  0  0  0
 14 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  1  0  0  0
 16 21  1  0  0  0  0
 16 34  1  6  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
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 21 28  1  0  0  0  0
 22 26  1  0  0  0  0
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 26 30  2  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
  8 35  1  1  0  0  0
M  END
>  <Mol_ID> (142)
4146

>  <Formula> (142)
C30H46O3

>  <MolWeight> (142)
454.68444

>  <Cat> (142)
S9408

>  <Name> (142)
Beta-Elemonic

>  <Form> (142)
free base

>  <CAS> (142)
28282-25-9

$$$$
S9430 Tomatidine.cdx
csChFnd80/10222016472D

 37 41  0  0  0  0  0  0  0  0999 V2000
   10.7826    6.6746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5520    6.6746    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7711    5.5680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7826    8.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9994    5.9737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3177    7.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7398    4.7859    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9994    8.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2220    6.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3177    4.8034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 14 33  1  6  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  1  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
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 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
M  END
>  <Mol_ID> (143)
4165

>  <Formula> (143)
C27H46ClNO2

>  <MolWeight> (143)
452.11264

>  <Cat> (143)
S9430

>  <Name> (143)
Tomatidine

>  <Form> (143)
free base

>  <CAS> (143)
6192-62-7

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/10222016472D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
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  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
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  9 14  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
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 14 18  2  0  0  0  0
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 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
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 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (144)
4166

>  <Formula> (144)
C22H24NO4+

>  <MolWeight> (144)
366.43026

>  <Cat> (144)
S9431

>  <Name> (144)
Dehydrocorydalin

>  <Form> (144)
free base

>  <CAS> (144)
30045-16-0

$$$$

csChFnd80/10222016472D

 38 43  0  0  0  0  0  0  0  0999 V2000
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    3.8207    3.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8207    6.5040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4538    1.6064    0.0000 N   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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 10 11  2  0  0  0  0
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 13  8  1  0  0  0  0
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 16 12  1  0  0  0  0
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 37 31  1  0  0  0  0
 36 38  1  6  0  0  0
M  END
>  <Mol_ID> (145)
4246

>  <Formula> (145)
C25H21F3N6O3S

>  <MolWeight> (145)
542.5328496

>  <Cat> (145)
S7965

>  <Name> (145)
PLX8394

>  <Synonyms> (145)
N/A

>  <Target> (145)
Raf

>  <Form> (145)
Free Base

>  <CAS> (145)
1393466-87-9

>  <URL> (145)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/10222016472D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (146)
4268

>  <Formula> (146)
C25H25F3N4O4

>  <MolWeight> (146)
502.4856096

>  <Cat> (146)
S8745

>  <Name> (146)
LXH254

>  <Synonyms> (146)
N/A

>  <Target> (146)
Raf

>  <Form> (146)
Free Base

>  <CAS> (146)
1800398-38-2

>  <URL> (146)
http://www.selleckchem.com/products/lxh254.html

$$$$
S9061 Hydroxy safflor yellow A.cdx
csChFnd80/10222016472D

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M  END
>  <Mol_ID> (147)
4311

>  <Formula> (147)
C27H32O16

>  <MolWeight> (147)
612.53338

>  <Cat> (147)
S9061

>  <Name> (147)
Hydroxy safflor yellow A

>  <Form> (147)
free base

>  <CAS> (147)
78281-02-4

$$$$
S9075 Mulberroside A.cdx
csChFnd80/10222016472D

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M  END
>  <Mol_ID> (148)
4324

>  <Formula> (148)
C26H32O14

>  <MolWeight> (148)
568.52388

>  <Cat> (148)
S9075

>  <Name> (148)
Mulberroside A

>  <Form> (148)
free base

>  <CAS> (148)
102841-42-9

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/10222016472D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (149)
4329

>  <Formula> (149)
C21H20O6

>  <MolWeight> (149)
368.3799

>  <Cat> (149)
S9080

>  <Name> (149)
Anhydroicaritin

>  <Form> (149)
free base

>  <CAS> (149)
118525-40-9

$$$$
S9084 Rhoifolin.cdx
csChFnd80/10222016472D

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M  END
>  <Mol_ID> (150)
4333

>  <Formula> (150)
C27H30O14

>  <MolWeight> (150)
578.5187

>  <Cat> (150)
S9084

>  <Name> (150)
Rhoifolin

>  <Form> (150)
free base

>  <CAS> (150)
17306-46-6

$$$$
S9091 10-Gingerol.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (155)
4360

>  <Formula> (155)
C44H70O16

>  <MolWeight> (155)
855.017

>  <Cat> (155)
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>  <Name> (155)
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>  <Form> (155)
free base

>  <CAS> (155)
50773-41-6

$$$$
S9127 Carnosol.cdx
csChFnd80/10222016472D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (156)
4370

>  <Formula> (156)
C20H26O4

>  <MolWeight> (156)
330.41804

>  <Cat> (156)
S9127

>  <Name> (156)
Carnosol

>  <Form> (156)
free base

>  <CAS> (156)
5957-80-2

$$$$
S9183 Ruscogenin.cdx
csChFnd80/10222016472D

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M  END
>  <Mol_ID> (157)
4414

>  <Formula> (157)
C27H42O4

>  <MolWeight> (157)
430.61998

>  <Cat> (157)
S9183

>  <Name> (157)
Ruscogenin

>  <Form> (157)
free base

>  <CAS> (157)
472-11-7

$$$$
S9185 Nitidine Chloride.cdx
csChFnd80/10222016472D

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>  <Mol_ID> (158)
4416

>  <Formula> (158)
C21H18ClNO4

>  <MolWeight> (158)
383.82492

>  <Cat> (158)
S9185

>  <Name> (158)
Nitidine Chloride

>  <Form> (158)
free base

>  <CAS> (158)
13063-04-2

$$$$
S9246 Tiliroside.cdx
csChFnd80/10222016472D

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M  END
>  <Mol_ID> (159)
4459

>  <Formula> (159)
C30H26O13

>  <MolWeight> (159)
594.51964

>  <Cat> (159)
S9246

>  <Name> (159)
Tiliroside

>  <Form> (159)
free base

>  <CAS> (159)
20316-62-5

$$$$
S9281 Peimine.cdx
csChFnd80/10222016472D

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M  END
>  <Mol_ID> (160)
4485

>  <Formula> (160)
C27H45NO3

>  <MolWeight> (160)
431.6511

>  <Cat> (160)
S9281

>  <Name> (160)
Peimine

>  <Form> (160)
free base

>  <CAS> (160)
23496-41-5

$$$$
S9287 Genkwanin.cdx
csChFnd80/10222016472D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (161)
4491

>  <Formula> (161)
C16H12O5

>  <MolWeight> (161)
284.26348

>  <Cat> (161)
S9287

>  <Name> (161)
Genkwanin

>  <Form> (161)
free base

>  <CAS> (161)
437-64-9

$$$$
S9307 Shanzhiside methyl ester.cdx
csChFnd80/10222016472D

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 10  9  1  1  0  0  0
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M  END
>  <Mol_ID> (162)
4505

>  <Formula> (162)
C17H26O11

>  <MolWeight> (162)
406.38174

>  <Cat> (162)
S9307

>  <Name> (162)
Shanzhiside methyl ester

>  <Form> (162)
free base

>  <CAS> (162)
64421-28-9

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/10222016472D

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$$$$
S9328 5,6,7-Trimethoxyflavone.cdx
csChFnd80/10222016472D

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free base

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973-67-1

$$$$

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4730

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EGFR

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mesylate

>  <CAS> (165)
1421373-66-1

>  <URL> (165)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

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ERK

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>  <CAS> (166)
1621999-82-3

>  <URL> (166)
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$$$$

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    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6994    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6994   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.2746    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   14.5491    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   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
    9.6994    1.4000    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  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  3 11  2  0  0  0  0
 12 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 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  7 21  1  0  0  0  0
  5 22  1  0  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
 24 29  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 35  1  0  0  0  0
 35 36  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  6  0  0  0
 35 38  1  1  0  0  0
 34 39  1  6  0  0  0
 33 40  1  6  0  0  0
 32 30  1  1  0  0  0
 26 30  1  6  0  0  0
 41 42  1  0  0  0  0
 29 41  1  1  0  0  0
 28 43  1  6  0  0  0
 27 44  1  1  0  0  0
 23 25  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
>  <Mol_ID> (167)
4885

>  <Formula> (167)
C28H32O16

>  <MolWeight> (167)
624.54408

>  <Cat> (167)
S9455

>  <Name> (167)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (167)
N/A

>  <Target> (167)
Others

>  <Form> (167)
Free Base

>  <CAS> (167)
55033-90-4

>  <URL> (167)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/10222016472D

 38 42  0  0  0  0  0  0  0  0999 V2000
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   10.7196    3.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11  1  1  0  0  0  0
  1 21  1  6  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  2  1  0  0  0  0
  9  2  1  0  0  0  0
  2 22  1  1  0  0  0
  6  3  1  0  0  0  0
 12  3  2  0  0  0  0
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 20  4  1  0  0  0  0
  4 23  1  1  0  0  0
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 13  5  1  0  0  0  0
  5 33  1  6  0  0  0
 10  6  1  0  0  0  0
  8  6  1  0  0  0  0
  6 32  1  1  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
  7 31  1  6  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
  8 24  1  1  0  0  0
 14  9  1  0  0  0  0
 18 10  1  0  0  0  0
 10 26  1  1  0  0  0
 10 35  1  6  0  0  0
 16 11  1  0  0  0  0
 13 12  1  0  0  0  0
 25 15  1  0  0  0  0
 15 28  1  6  0  0  0
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M  END
>  <Mol_ID> (168)
4921

>  <Formula> (168)
C30H48O5

>  <MolWeight> (168)
488.69912

>  <Cat> (168)
S9514

>  <Name> (168)
Rotundic acid

>  <Synonyms> (168)
Rutundic acid

>  <Target> (168)
Others

>  <Form> (168)
Free Base

>  <CAS> (168)
20137-37-5

>  <URL> (168)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/10222016472D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    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    0.0000    0.0000 O   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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    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
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
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 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (169)
4935

>  <Formula> (169)
C10H8O5

>  <MolWeight> (169)
208.16752

>  <Cat> (169)
S9503

>  <Name> (169)
Fraxetin

>  <Synonyms> (169)
7,8-dihydroxy-6-methoxy coumarin

>  <Target> (169)
Others

>  <Form> (169)
free base

>  <CAS> (169)
574-84-5

>  <URL> (169)
http://selleckchem.com/products/.html

$$$$

csChFnd80/10222016472D

 44 47  0  0  0  0  0  0  0  0999 V2000
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 34 32  1  1  0  0  0
 34 35  1  0  0  0  0
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 35 37  1  0  0  0  0
 35 38  1  6  0  0  0
 36 39  1  0  0  0  0
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 39 40  1  0  0  0  0
 40 43  1  1  0  0  0
A   44
xH2O
M  END
>  <Mol_ID> (170)
5128

>  <Formula> (170)
C27H30O16R

>  <MolWeight> (170)
610.5175

>  <Cat> (170)
S6264

>  <Name> (170)
Rutin hydrate

>  <Synonyms> (170)
Quercetin-3-O-rutinoside, Rutoside, Sophorin

>  <Target> (170)
Others

>  <Form> (170)
free base

>  <CAS> (170)
207671-50-9

>  <URL> (170)
http://www.selleck.cn/products/rutin-hydrate.html

$$$$

csChFnd80/10222016472D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
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 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (171)
5182

>  <Formula> (171)
C9H10O4

>  <MolWeight> (171)
182.1733

>  <Cat> (171)
S6338

>  <Name> (171)
3,4-Dihydroxyhydrocinnamic acid

>  <Synonyms> (171)
Dihydrocaffeic acid

>  <Target> (171)
Others

>  <Form> (171)
free base

>  <CAS> (171)
1078-61-1

>  <URL> (171)
http://www.selleck.cn/products/3-4-dihydroxyhydrocinnamic-acid.html

$$$$

csChFnd80/10222016472D

 50 56  0  0  0  0  0  0  0  0999 V2000
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
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 20 44  1  1  0  0  0
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 49  8  1  0  0  0  0
 47 50  1  0  0  0  0
M  END
>  <Mol_ID> (172)
5387

>  <Formula> (172)
C37H41N9O3S

>  <MolWeight> (172)
691.84494

>  <Cat> (172)
S8701

>  <Name> (172)
MK-8353 (SCH900353)

>  <Synonyms> (172)
N/A

>  <Target> (172)
ERK

>  <Form> (172)
Free Base

>  <CAS> (172)
1184173-73-6

>  <URL> (172)
http://www.selleck.cn/products/mk-8353-sch900353.html

$$$$

csChFnd80/10222016472D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2745    4.1999    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
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  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
  2  8  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
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 15 20  2  0  0  0  0
 19 21  1  0  0  0  0
  4 16  1  0  0  0  0
M  END
>  <Mol_ID> (173)
6666

>  <Formula> (173)
C16H13ClN4

>  <MolWeight> (173)
296.75422

>  <Cat> (173)
S6499

>  <Name> (173)
PF-6260933

>  <Synonyms> (173)
N/A

>  <Target> (173)
Serine/threonin kina

>  <Form> (173)
free base

>  <CAS> (173)
1811510-56-1

>  <URL> (173)
http://www.selleck.cn/products/pf-6260933.html

$$$$

csChFnd80/10222016472D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (174)
6669

>  <Formula> (174)
C20H20ClN5O2

>  <MolWeight> (174)
397.8581

>  <Cat> (174)
S6502

>  <Name> (174)
SD 0006

>  <Synonyms> (174)
N/A

>  <Target> (174)
p38 MAPK

>  <Form> (174)
free base

>  <CAS> (174)
271576-80-8

>  <URL> (174)
http://www.selleck.cn/products/sd-0006.html

$$$$

csChFnd80/10222016472D

 21 23  0  0  0  0  0  0  0  0999 V2000
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JAK

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21561-09-1

>  <URL> (175)
http://www.selleck.cn/products/whi-p258.html

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6696

>  <Formula> (176)
C29H24F3N5O

>  <MolWeight> (176)
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S6538

>  <Name> (176)
B-Raf IN 1

>  <Synonyms> (176)
N/A

>  <Target> (176)
Raf

>  <Form> (176)
free base

>  <CAS> (176)
950736-05-7

>  <URL> (176)
http://www.selleck.cn/products/b-rafin-1.html

$$$$

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 24 26  0  0  0  0  0  0  0  0999 V2000
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6717

>  <Formula> (177)
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>  <MolWeight> (177)
335.3269496

>  <Cat> (177)
S6578

>  <Name> (177)
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>  <Synonyms> (177)
N/A

>  <Target> (177)
Casein Kinase

>  <Form> (177)
free base

>  <CAS> (177)
1353867-91-0

>  <URL> (177)
http://www.selleck.cn/products/longdaysin.html

$$$$

csChFnd80/10222016472D

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>  <Mol_ID> (178)
6759

>  <Formula> (178)
C18H24N6O

>  <MolWeight> (178)
340.42276

>  <Cat> (178)
S6531

>  <Name> (178)
Bohemine

>  <Synonyms> (178)
N/A

>  <Target> (178)
CDK

>  <Form> (178)
Free Base

>  <CAS> (178)
189232-42-6

>  <URL> (178)
http://www.selleck.cn/products/bohemine.html

$$$$

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>  <Mol_ID> (179)
6808

>  <Formula> (179)
C15H9N3O

>  <MolWeight> (179)
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>  <Cat> (179)
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>  <Synonyms> (179)
N/A

>  <Target> (179)
JNK

>  <Form> (179)
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>  <CAS> (179)
23146-22-7

>  <URL> (179)
http://www.selleck.cn/products/iq-1s.html

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6824

>  <Formula> (180)
C22H25ClN6O

>  <MolWeight> (180)
424.9265

>  <Cat> (180)
S6730

>  <Name> (180)
CC-401 Hydrochloride

>  <Synonyms> (180)
N/A

>  <Target> (180)
JNK

>  <Form> (180)
Hydrochloride

>  <CAS> (180)
1438391-30-0

>  <URL> (180)
http://www.selleck.cn/products/cc-401-hydrochloride.html

$$$$

csChFnd80/10222016472D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (181)
6832

>  <Formula> (181)
C17H15N5O2

>  <MolWeight> (181)
321.3333

>  <Cat> (181)
S6740

>  <Name> (181)
DB07268

>  <Synonyms> (181)
N/A

>  <Target> (181)
JNK

>  <Form> (181)
Free Base

>  <CAS> (181)
929007-72-7

>  <URL> (181)
http://www.selleck.cn/products/db07268.html

$$$$

csChFnd80/10222016472D

 33 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (182)
6859

>  <Formula> (182)
C23H16ClFN6OS

>  <MolWeight> (182)
478.9291432

>  <Cat> (182)
S8853

>  <Name> (182)
Belvarafenib(GDC5573, HM95573, RG6185)

>  <Synonyms> (182)
N/A

>  <Target> (182)
Raf

>  <Form> (182)
Free Base

>  <CAS> (182)
1446113-23-0

>  <URL> (182)
http://www.selleck.cn/products/belvarafenib.html

$$$$

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>  <Mol_ID> (183)
6863

>  <Formula> (183)
C29H30F3N5O2

>  <MolWeight> (183)
537.5760096

>  <Cat> (183)
S8868

>  <Name> (183)
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>  <Synonyms> (183)
N/A

>  <Target> (183)
TGF-beta/Smad

>  <Form> (183)
Free Base

>  <CAS> (183)
1315355-93-1

>  <URL> (183)
http://www.selleck.cn/products/ng25.html

$$$$

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  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 24  2  0  0  0  0
 16 15  1  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
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 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
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 31 30  2  0  0  0  0
 33 34  1  0  0  0  0
 35 34  2  0  0  0  0
M  END
>  <Mol_ID> (184)
6901

>  <Formula> (184)
C26H21Cl3N8

>  <MolWeight> (184)
551.85754

>  <Cat> (184)
S6660

>  <Name> (184)
B-Raf inhibitor 1 dihydrochlorid

>  <Synonyms> (184)
N/A

>  <Target> (184)
Raf

>  <Form> (184)
Dihydrochloride

>  <CAS> (184)
1191385-19-9

>  <URL> (184)
http://www.selleck.cn/products/b-raf-inhibitor-1-dihydrochlorid.html

$$$$

csChFnd80/10222016472D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  1  6  2  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
  9 14  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
  7 18  1  0  0  0  0
  5 10  1  0  0  0  0
  2 24  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
>  <Mol_ID> (185)
6913

>  <Formula> (185)
C20H14ClN3O

>  <MolWeight> (185)
347.79766

>  <Cat> (185)
S6680

>  <Name> (185)
L-779450

>  <Synonyms> (185)
L-779,450

>  <Target> (185)
Raf

>  <Form> (185)
Free Base

>  <CAS> (185)
303727-31-3

>  <URL> (185)
http://www.selleck.cn/products/l-779450.html

$$$$

csChFnd80/10222016472D

 33 38  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
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 17 21  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  2  0  0  0  0
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 21 23  1  0  0  0  0
 22 26  1  0  0  0  0
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 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
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 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (186)
6985

>  <Formula> (186)
C26H23N5O2

>  <MolWeight> (186)
437.49312

>  <Cat> (186)
S8961

>  <Name> (186)
Alobresib (GS-5829)

>  <Synonyms> (186)
N/A

>  <Target> (186)
Epigenetic Reader Do

>  <Form> (186)
Free Base

>  <CAS> (186)
1637771-14-2

>  <URL> (186)
http://www.selleckchem.com/products/alobresib.html

$$$$

csChFnd80/10222016472D

 27 30  0  0  0  0  0  0  0  0999 V2000
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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
  1  6  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 11  1  0  0  0  0
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 12 13  1  0  0  0  0
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 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
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 21 22  1  0  0  0  0
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M  END
>  <Mol_ID> (187)
6996

>  <Formula> (187)
C20H13FN4O2

>  <MolWeight> (187)
360.3412232

>  <Cat> (187)
S5183

>  <Name> (187)
PD 169316

>  <Synonyms> (187)
N/A

>  <Target> (187)
p38 MAPK

>  <Form> (187)
Free Base

>  <CAS> (187)
152121-53-4

>  <URL> (187)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/10222016472D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (188)
7012

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C17H11BrFN3O2

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>  <Cat> (188)
S6786

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ERK5-IN-2

>  <Synonyms> (188)
N/A

>  <Target> (188)
ERK

>  <Form> (188)
Free Base

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1888305-96-1

>  <URL> (188)
http://www.selleckchem.com/products/erk5-in-2.html

$$$$

csChFnd80/10222016472D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (189)
7023

>  <Formula> (189)
C20H13F2N3

>  <MolWeight> (189)
333.3341264

>  <Cat> (189)
S6807

>  <Name> (189)
TA-02

>  <Synonyms> (189)
N/A

>  <Target> (189)
p38 MAPK

>  <Form> (189)
Free Base

>  <CAS> (189)
1784751-19-4

>  <URL> (189)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/10222016472D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (190)
7151

>  <Formula> (190)
C21H19N3O3

>  <MolWeight> (190)
361.39386

>  <Cat> (190)
S0268

>  <Name> (190)
DMX-5084

>  <Target> (190)
MAP4K

>  <Form> (190)
free base

>  <CAS> (190)
2306178-56-1

>  <URL> (190)
http://www.selleckchem.com/products/dmx-5084.html

$$$$

csChFnd80/10222016472D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (191)
7185

>  <Formula> (191)
C23H40N2O3

>  <MolWeight> (191)
392.5753

>  <Cat> (191)
S0752

>  <Name> (191)
AUDA

>  <Target> (191)
Epoxide Hydrolase

>  <Form> (191)
free base

>  <CAS> (191)
479413-70-2

>  <URL> (191)
http://www.selleckchem.com/products/auda.html

$$$$

csChFnd80/10222016472D

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  6  1  1  0  0  0  0
  4  7  2  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  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  1  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
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  1 30  1  1  0  0  0
 10 31  1  1  0  0  0
  9 32  1  1  0  0  0
 12 33  1  1  0  0  0
 21 34  1  1  0  0  0
  2 35  1  6  0  0  0
  5 36  1  6  0  0  0
 11 37  1  6  0  0  0
 17 38  1  6  0  0  0
 21 39  1  6  0  0  0
 16 40  1  6  0  0  0
M  END
>  <Mol_ID> (192)
7197

>  <Formula> (192)
C30H48O7

>  <MolWeight> (192)
520.69792

>  <Cat> (192)
S0949

>  <Name> (192)
Cucurbitacin IIb

>  <Target> (192)
STAT

>  <Form> (192)
free base

>  <CAS> (192)
50298-90-3

>  <URL> (192)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/10222016472D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    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
  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
  9 10  1  0  0  0  0
 10 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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  8 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (193)
7230

>  <Formula> (193)
C18H20O5

>  <MolWeight> (193)
316.3484

>  <Cat> (193)
S3242

>  <Name> (193)
Loureirin B

>  <Target> (193)
PAI-1

>  <Form> (193)
free base

>  <CAS> (193)
119425-90-0

>  <URL> (193)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/10222016472D

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.7791    4.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    6.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    5.0655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4250    5.7655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2126    3.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    3.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    5.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7670    1.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2019    0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5719    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  5  2  1  6  0  0  0
  6  3  1  1  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  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
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (194)
7258

>  <Formula> (194)
C12H16O4

>  <MolWeight> (194)
224.25304

>  <Cat> (194)
S3275

>  <Name> (194)
Senkyunolide I

>  <Target> (194)
ERK

>  <Form> (194)
free base

>  <CAS> (194)
94596-28-8

>  <URL> (194)
http://www.selleckchem.com/products/senkyunolide-i.html

$$$$

csChFnd80/10222016472D

 39 42  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 O   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
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578   10.4806    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5367    9.9111    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.1537    8.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8166    7.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5256    8.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1941    9.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5623    9.5530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8892    9.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1435    6.8190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1803    7.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0877   11.2404    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  1  1  0  0  0  0
  1  7  1  1  0  0  0
  7  8  1  0  0  0  0
  5  9  1  1  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
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 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 23  1  0  0  0  0
 23 19  1  0  0  0  0
 20 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 23 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
  3 36  1  1  0  0  0
  2 37  1  6  0  0  0
  4 38  1  6  0  0  0
 19 39  1  6  0  0  0
M  END
>  <Mol_ID> (195)
7266

>  <Formula> (195)
C27H34O12

>  <MolWeight> (195)
550.55166

>  <Cat> (195)
S3284

>  <Name> (195)
Tracheloside

>  <Target> (195)
phosphatase

>  <Form> (195)
free base

>  <CAS> (195)
33464-71-0

>  <URL> (195)
http://www.selleckchem.com/products/tracheloside.html

$$$$

csChFnd80/10222016472D

 19 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3119    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5223    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7328    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9432    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1536    4.8757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3660    4.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5785    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1552    6.2708    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  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  1  1  0  0  0
 11 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  1  6  0  0  0
M  END
>  <Mol_ID> (196)
7272

>  <Formula> (196)
C17H24O2

>  <MolWeight> (196)
260.37126

>  <Cat> (196)
S3292

>  <Name> (196)
Falcarindiol

>  <Target> (196)
NOS

>  <Form> (196)
free base

>  <CAS> (196)
225110-25-8

>  <URL> (196)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/10222016472D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
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7296

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C27H33ClN2O4

>  <MolWeight> (197)
485.01492

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>  <Form> (197)
free base

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342777-54-2

>  <URL> (197)
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csChFnd80/10222016472D

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>  <Formula> (198)
C19H15ClN4O

>  <MolWeight> (198)
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>  <Cat> (198)
S6888

>  <Name> (198)
SEL201

>  <Target> (198)
MNK

>  <Form> (198)
free base

>  <CAS> (198)
2095704-43-9

>  <URL> (198)
http://www.selleckchem.com/products/sel201.html

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csChFnd80/10222016472D

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>  <Mol_ID> (199)
7327

>  <Formula> (199)
C33H36N2O3

>  <MolWeight> (199)
508.65054

>  <Cat> (199)
S6905

>  <Name> (199)
MCP110

>  <Target> (199)
Ras

>  <Form> (199)
free base

>  <CAS> (199)
521310-51-0

>  <URL> (199)
http://www.selleckchem.com/products/mcp110.html

$$$$

csChFnd80/10222016472D

 33 36  0  0  0  0  0  0  0  0999 V2000
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7349

>  <Formula> (200)
C23H25F3N4O3

>  <MolWeight> (200)
462.4648096

>  <Cat> (200)
S8916

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>  <CAS> (200)
2230836-55-0

>  <URL> (200)
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csChFnd80/10222016472D

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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  2  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  2  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  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 18  1  0  0  0  0
 18 13  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
M  ISO  1  30   2
M  ISO  1  31   2
M  ISO  1  32   2
M  END
>  <Mol_ID> (201)
7369

>  <Formula> (201)
C21H13ClD3F3N4O3

>  <MolWeight> (201)
467.843434934

>  <Cat> (201)
S9621

>  <Name> (201)
Donafenib (Sorafenib D3)

>  <Target> (201)
Raf

>  <Form> (201)
free base

>  <CAS> (201)
1130115-44-4

>  <URL> (201)
http://www.selleckchem.com/products/donafenib-sorafenib-d3.html

$$$$

csChFnd80/10222016472D

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M  END
>  <Mol_ID> (202)
7379

>  <Formula> (202)
C97H144FN33O19S2

>  <MolWeight> (202)
2159.5193632

>  <Cat> (202)
S9665

>  <Name> (202)
Motixafortide (BL-8040)

>  <Target> (202)
CXCR

>  <Form> (202)
free base

>  <CAS> (202)
664334-36-5

>  <URL> (202)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$
