untitled.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (1)
5

>  <Formula> (1)
C27H32ClN5O5

>  <MolWeight> (1)
542.02648

>  <Cat> (1)
S1006

>  <Name> (1)
Saracatinib (AZD0530)

>  <Synonyms> (1)
N/A

>  <Target> (1)
Autophagy,EGFR,Src

>  <Form> (1)
free base

>  <CAS> (1)
379231-04-6

>  <URL> (1)
http://selleckchem.com/products/AZD0530.html

$$$$
Bosutinib (SKI-606).cdx
csChFnd80/04082409412D

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    7.7000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2)
9

>  <Formula> (2)
C26H29Cl2N5O3

>  <MolWeight> (2)
530.44616

>  <Cat> (2)
S1014

>  <Name> (2)
Bosutinib (SKI-606)

>  <Synonyms> (2)
SKI-606

>  <Target> (2)
Autophagy,Bcr-Abl,ERK,S6 Kinase,Src,STAT

>  <Form> (2)
free base

>  <CAS> (2)
380843-75-4

>  <URL> (2)
http://selleckchem.com/products/Bosutinib.html

$$$$
untitled.cdx
csChFnd80/04082409412D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3)
15

>  <Formula> (3)
C22H24ClFN4O3

>  <MolWeight> (3)
446.9023632

>  <Cat> (3)
S1025

>  <Name> (3)
Gefitinib (ZD1839)

>  <Synonyms> (3)
Iressa,ZD1839

>  <Target> (3)
Apoptosis related,Autophagy,EGFR

>  <Form> (3)
free base

>  <CAS> (3)
184475-35-2

>  <URL> (3)
http://selleckchem.com/products/Gefitinib.html

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/04082409412D

 62 66  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (4)
17

>  <Formula> (4)
C43H42ClFN4O10S3

>  <MolWeight> (4)
925.4607832

>  <Cat> (4)
S1028

>  <Name> (4)
Lapatinib (GW-572016) Ditosylate

>  <Synonyms> (4)
GW-572016

>  <Target> (4)
EGFR,HER2

>  <Form> (4)
Ditosylat

>  <CAS> (4)
388082-77-7

>  <URL> (4)
http://selleckchem.com/products/Lapatinib-Ditosylate.html

$$$$
AT9283.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (5)
81

>  <Formula> (5)
C19H23N7O2

>  <MolWeight> (5)
381.43162

>  <Cat> (5)
S1134

>  <Name> (5)
AT9283

>  <Synonyms> (5)
N/A

>  <Target> (5)
Aurora Kinase,Bcr-Abl,JAK

>  <Form> (5)
free base

>  <CAS> (5)
896466-04-9

>  <URL> (5)
http://selleckchem.com/products/AT9283.html

$$$$
AG-490.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (6)
86

>  <Formula> (6)
C17H14N2O3

>  <MolWeight> (6)
294.30466

>  <Cat> (6)
S1143

>  <Name> (6)
AG-490 (Tyrphostin B42)

>  <Synonyms> (6)
Zinc02557947

>  <Target> (6)
EGFR,JAK

>  <Form> (6)
free base

>  <CAS> (6)
133550-30-8

>  <URL> (6)
http://selleckchem.com/products/AG-490.html

$$$$
S31-201.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (7)
94

>  <Formula> (7)
C16H15NO7S

>  <MolWeight> (7)
365.3578

>  <Cat> (7)
S1155

>  <Name> (7)
S3I-201

>  <Synonyms> (7)
NSC 74859

>  <Target> (7)
STAT

>  <Form> (7)
free base

>  <CAS> (7)
501919-59-1

>  <URL> (7)
http://selleckchem.com/products/S31-201.html

$$$$
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csChFnd80/04082409412D

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EGFR,HER2

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free base

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537705-08-1

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http://selleckchem.com/products/CP-724714.html

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EGFR

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free base

>  <CAS> (9)
1214265-56-1

>  <URL> (9)
http://selleckchem.com/products/WZ3146.html

$$$$

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102

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EGFR

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free base

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1213269-23-8

>  <URL> (10)
http://selleckchem.com/products/WZ4002.html

$$$$
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EGFR

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free base

>  <CAS> (11)
1214265-57-2

>  <URL> (11)
http://selleckchem.com/products/WZ8040.html

$$$$
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   13.2989    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1487    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1487    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7818    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8782    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8782    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  6 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 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  3  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (12)
118

>  <Formula> (12)
C24H26N4O4

>  <MolWeight> (12)
434.48764

>  <Cat> (12)
S1194

>  <Name> (12)
CUDC-101

>  <Synonyms> (12)
N/A

>  <Target> (12)
EGFR,HDAC,HER2

>  <Form> (12)
free base

>  <CAS> (12)
1012054-59-9

>  <URL> (12)
http://selleckchem.com/products/CUDC-101.html

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/04082409412D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   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
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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
    4.6777    4.4368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    5.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    4.1457    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6165    2.8667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0089    3.0131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3000    4.3825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0875    5.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5789    4.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9165    1.6543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7115    4.1290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9905    4.6985    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.5599    3.4195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4211    5.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2695    5.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9457    1.9727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
  2 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 12  7  1  6  0  0  0
 15 17  1  6  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 14 24  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (13)
136

>  <Formula> (13)
C10H13FN5O7P

>  <MolWeight> (13)
365.2116842

>  <Cat> (13)
S1229

>  <Name> (13)
Fludarabine Phosphate

>  <Synonyms> (13)
F-ara-A (NSC 312887) Phosphate

>  <Target> (13)
DNA/RNA Synthesis

>  <Form> (13)
Phosphate

>  <CAS> (13)
75607-67-9

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

$$$$
Genistein.cdx
csChFnd80/04082409412D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   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
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
  9 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 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
  5 20  1  0  0  0  0
M  END
>  <Mol_ID> (14)
221

>  <Formula> (14)
C15H10O5

>  <MolWeight> (14)
270.2369

>  <Cat> (14)
S1342

>  <Name> (14)
Genistein (NPI 031L)

>  <Synonyms> (14)
NPI 031L

>  <Target> (14)
EGFR,Topoisomerase

>  <Form> (14)
free base

>  <CAS> (14)
446-72-0

>  <URL> (14)
http://selleckchem.com/products/Genistein.html

$$$$
Pelitinib.cdx
csChFnd80/04082409412D

 33 35  0  0  0  0  0  0  0  0999 V2000
    8.4576    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4576    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    8.3879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    9.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4576   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    7.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    1.3976    0.0000 F   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  5  1  0  0  0  0
  8 11  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (15)
246

>  <Formula> (15)
C24H23ClFN5O2

>  <MolWeight> (15)
467.9231232

>  <Cat> (15)
S1392

>  <Name> (15)
Pelitinib (EKB-569)

>  <Synonyms> (15)
N/A

>  <Target> (15)
EGFR,MEK,Src

>  <Form> (15)
free base

>  <CAS> (15)
257933-82-7

>  <URL> (15)
http://selleckchem.com/products/Pelitinib.html

$$$$
resveratrol.cdx
csChFnd80/04082409412D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.3476    3.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    2.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    1.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    4.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    4.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3998    2.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3863    3.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7339    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0963    1.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4486    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4385    2.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0762    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7239    4.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    4.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8096    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (16)
248

>  <Formula> (16)
C14H12O3

>  <MolWeight> (16)
228.24328

>  <Cat> (16)
S1396

>  <Name> (16)
Resveratrol (SRT501)

>  <Synonyms> (16)
trans-Resveratrol,SRT501

>  <Target> (16)
AMPK,Apoptosis related,Autophagy,COX,ERK,I¦ÊB/IKK,JNK,Lipoxygenase,Mitophagy,Sirtuin,Src,STAT

>  <Form> (16)
free base

>  <CAS> (16)
501-36-0

>  <URL> (16)
http://selleckchem.com/products/Resveratrol.html

$$$$
AEE-788.cdx
csChFnd80/04082409412D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    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
    2.4249    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    6.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    8.8326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1868    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2868    6.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3820    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0820    6.4876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3820    5.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
  3 25  1  0  0  0  0
 25 26  1  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
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 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
 26 33  1  1  0  0  0
M  END
>  <Mol_ID> (17)
300

>  <Formula> (17)
C27H32N6

>  <MolWeight> (17)
440.58318

>  <Cat> (17)
S1486

>  <Name> (17)
AEE788 (NVP-AEE788)

>  <Synonyms> (17)
N/A

>  <Target> (17)
EGFR,HER2,VEGFR

>  <Form> (17)
free base

>  <CAS> (17)
497839-62-0

>  <URL> (17)
http://selleckchem.com/products/AEE788.html

$$$$
Fludarabine.cdx
csChFnd80/04082409412D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.6550    3.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.4051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8917    1.3647    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1707    1.9341    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0244    3.3264    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0611    4.2599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4306    3.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1306    5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1938    6.2217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9148    5.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1306    2.7564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5306    2.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2306    3.9689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5306    5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2281    6.3895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2281    1.5482    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5675    2.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3789    1.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017    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  1  1  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
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 14  8  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
  5  6  1  1  0  0  0
  2 17  1  1  0  0  0
  4 18  1  1  0  0  0
 17 19  1  0  0  0  0
  3 20  1  6  0  0  0
M  END
>  <Mol_ID> (18)
305

>  <Formula> (18)
C10H12FN5O4

>  <MolWeight> (18)
285.2317832

>  <Cat> (18)
S1491

>  <Name> (18)
Fludarabine (NSC 118218)

>  <Synonyms> (18)
FaraA, Fludarabinum, NSC 118218

>  <Target> (18)
Apoptosis related,DNA/RNA Synthesis,Nucleoside Analog/Antimetabolite,STAT

>  <Form> (18)
Free Base

>  <CAS> (18)
21679-14-1

>  <URL> (18)
http://selleckchem.com/products/Fludarabine(Fludara).html

$$$$

csChFnd80/04082409412D

 38 41  0  0  0  0  0  0  0  0999 V2000
    5.2249  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6498  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373  -11.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -13.9902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -11.1902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2829  -11.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0167   -6.9975    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0125   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0125   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5618  -11.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4986  -10.7217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7985   -9.5092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -9.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8861  -10.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4153  -12.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8024  -12.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6603  -11.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1311   -9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7440   -9.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926   -8.3950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4926   -8.3950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
  6 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
  9 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 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 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 17 27  2  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 17  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (19)
356

>  <Formula> (19)
C27H30Cl2F2N6O

>  <MolWeight> (19)
563.4695064

>  <Cat> (19)
S2686

>  <Name> (19)
NVP-BSK805 2HCl

>  <Synonyms> (19)
BSK805

>  <Target> (19)
JAK

>  <Form> (19)
HCl

>  <CAS> (19)
1092499-93-8 (free base)

>  <URL> (19)
http://selleckchem.com/products/nvp-bsk805.html

$$$$
Artesunate.cdx
csChFnd80/04082409412D

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.5918    3.4838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2242    3.1843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7998    1.8501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7430    0.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1106    1.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5350    2.4491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2103    4.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6140    6.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2519    6.3299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1497    5.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1374    4.0667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9903    3.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9026    2.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7698    3.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3454    2.4331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2886    1.3985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7352    0.4516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1951    5.2953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2589    4.1274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9586    4.8220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9778    2.1336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6102    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1873    0.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6703    2.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3027    2.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    4.9261    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  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
  1 12  1  6  0  0  0
  6 13  1  6  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
  3 17  1  6  0  0  0
  9 18  1  0  0  0  0
  2 19  1  6  0  0  0
 18 19  1  0  0  0  0
  9 20  1  1  0  0  0
 11 21  1  1  0  0  0
 16 22  1  1  0  0  0
 15 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 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
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (20)
387

>  <Formula> (20)
C19H28O8

>  <MolWeight> (20)
384.42082

>  <Cat> (20)
S2265

>  <Name> (20)
Artesunate (WR-256283)

>  <Synonyms> (20)
WR-256283

>  <Target> (20)
ADC Cytotoxin,STAT

>  <Form> (20)
free base

>  <CAS> (20)
88495-63-0

>  <URL> (20)
http://selleckchem.com/products/Artesunate.html

$$$$
Baricitinib.cdx
csChFnd80/04082409412D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.7433    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    1.1347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3907    2.1709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7551    3.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7450    4.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924    3.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6140    6.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260    5.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    6.2928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    8.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968    6.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6324    7.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5433    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2433    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  3  0  0  0  0
  3  6  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
  8 12  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
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
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 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  3  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
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 22 25  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
>  <Mol_ID> (21)
468

>  <Formula> (21)
C16H17N7O2S

>  <MolWeight> (21)
371.41688

>  <Cat> (21)
S2851

>  <Name> (21)
Baricitinib (INCB028050)

>  <Synonyms> (21)
LY3009104

>  <Target> (21)
COVID-19,JAK

>  <Form> (21)
free base

>  <CAS> (21)
1187594-09-7

>  <URL> (21)
http://selleckchem.com/products/baricitinib-ly3009104.html

$$$$
Arry-380.cdx
csChFnd80/04082409412D

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   10.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2674    8.6061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326    8.6061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6923    4.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7306    6.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7710    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9834    6.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2624    6.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4087    8.3273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2761    9.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9804   11.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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  7  2  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
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
  4 11  1  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
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 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 24 25  1  0  0  0  0
 19 27  2  0  0  0  0
 18 21  1  0  0  0  0
 15 18  1  0  0  0  0
 14 28  1  0  0  0  0
 11 12  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 29 33  1  0  0  0  0
 36 37  1  0  0  0  0
 38 39  2  0  0  0  0
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  7 30  1  0  0  0  0
M  END
>  <Mol_ID> (22)
539

>  <Formula> (22)
C29H27N7O4S

>  <MolWeight> (22)
569.63418

>  <Cat> (22)
S2752

>  <Name> (22)
HER2-Inhibitor-1

>  <Synonyms> (22)
N/A

>  <Target> (22)
EGFR,HER2

>  <Form> (22)
free base

>  <CAS> (22)
937265-83-3

>  <URL> (22)
http://selleckchem.com/products/her2-inhibitor-1.html

$$$$
Lapatinib freebase.cdx
csChFnd80/04082409412D

 40 44  0  0  0  0  0  0  0  0999 V2000
   10.0945    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0945    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3069    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5194    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5194    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3069    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7318    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9442    6.9903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9442    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7318    9.0903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7318    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9400    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9400    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1525    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3649    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3649    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1525    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5731    4.8951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.5731    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7856    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9980    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9980    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2104    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4229    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4229    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2104    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6311    2.7976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8863    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6073    6.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6705    5.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3705    4.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0755    4.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 23 24  2  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (23)
548

>  <Formula> (23)
C29H26ClFN4O4S

>  <MolWeight> (23)
581.0575432

>  <Cat> (23)
S2111

>  <Name> (23)
Lapatinib (GW-572016)

>  <Synonyms> (23)
GSK572016, GW2016

>  <Target> (23)
Autophagy,EGFR,Ferroptosis,HER2

>  <Form> (23)
free base

>  <CAS> (23)
231277-92-2

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

$$$$
AST-1306.cdx
csChFnd80/04082409412D

 43 46  0  0  0  0  0  0  0  0999 V2000
   16.8000   12.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5000   11.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000   12.2776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    7.4279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    7.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    8.6403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3000   11.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000   11.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    9.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000    8.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    8.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   11.0652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000   11.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    9.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000   11.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   12.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   12.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   11.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000   12.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   11.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000   13.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8528    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    8.6403    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6422    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6422    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (24)
570

>  <Formula> (24)
C31H26ClFN4O5S

>  <MolWeight> (24)
621.0783432

>  <Cat> (24)
S2185

>  <Name> (24)
Allitinib tosylate

>  <Synonyms> (24)
AST-1306 TsOH, AST-6

>  <Target> (24)
EGFR

>  <Form> (24)
Mesylate

>  <CAS> (24)
1050500-29-2

>  <URL> (24)
https://www.selleckchem.com/products/allitinib-tosylate.html

$$$$
TAK-285.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (25)
582

>  <Formula> (25)
C26H25ClF3N5O3

>  <MolWeight> (25)
547.9566096

>  <Cat> (25)
S2784

>  <Name> (25)
TAK-285

>  <Synonyms> (25)
N/A

>  <Target> (25)
EGFR,HER2

>  <Form> (25)
free base

>  <CAS> (25)
871026-44-7

>  <URL> (25)
http://selleckchem.com/products/tak-285.html

$$$$
CP-690550.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (26)
585

>  <Formula> (26)
C16H20N6O

>  <MolWeight> (26)
312.3696

>  <Cat> (26)
S2789

>  <Name> (26)
Tofacitinib (CP-690550)

>  <Synonyms> (26)
Tasocitinib

>  <Target> (26)
Apoptosis related,JAK

>  <Form> (26)
free base

>  <CAS> (26)
477600-75-2

>  <URL> (26)
http://selleckchem.com/products/tofacitinib-cp-690550.html

$$$$
WP1066.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (27)
588

>  <Formula> (27)
C17H14BrN3O

>  <MolWeight> (27)
356.21656

>  <Cat> (27)
S2796

>  <Name> (27)
WP1066

>  <Synonyms> (27)
N/A

>  <Target> (27)
Apoptosis related,JAK,STAT

>  <Form> (27)
free base

>  <CAS> (27)
857064-38-1

>  <URL> (27)
http://selleckchem.com/products/wp1066.html

$$$$
AG-879.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (28)
610

>  <Formula> (28)
C18H24N2OS

>  <MolWeight> (28)
316.46096

>  <Cat> (28)
S2816

>  <Name> (28)
Tyrphostin AG 879

>  <Synonyms> (28)
AG 879

>  <Target> (28)
HER2

>  <Form> (28)
free base

>  <CAS> (28)
148741-30-4

>  <URL> (28)
http://selleckchem.com/products/tyrphostin-ag-879-ag-879.html

$$$$
CEP33779.cdx
csChFnd80/04082409412D

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CEP-33779

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N/A

>  <Target> (29)
JAK

>  <Form> (29)
free base

>  <CAS> (29)
1257704-57-6

>  <URL> (29)
http://selleckchem.com/products/cep33779.html

$$$$
Daphnetin.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (30)
652

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C9H6O4

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Daphnetin

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N/A

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EGFR,PKA,PKC

>  <Form> (30)
free base

>  <CAS> (30)
486-35-1

>  <URL> (30)
http://selleckchem.com/products/Daphnetin.html

$$$$
LY2784544.cdx
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>  <Mol_ID> (31)
655

>  <Formula> (31)
C23H25ClFN7O

>  <MolWeight> (31)
469.9423032

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S2179

>  <Name> (31)
Gandotinib (LY2784544)

>  <Synonyms> (31)
N/A

>  <Target> (31)
JAK

>  <Form> (31)
free base

>  <CAS> (31)
1229236-86-5

>  <URL> (31)
http://selleckchem.com/products/LY2784544.html

$$$$
AZD8931.cdx
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>  <Mol_ID> (32)
665

>  <Formula> (32)
C23H25ClFN5O3

>  <MolWeight> (32)
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>  <Name> (32)
Sapitinib (AZD8931)

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N/A

>  <Target> (32)
EGFR,HER2

>  <Form> (32)
free base

>  <CAS> (32)
848942-61-0

>  <URL> (32)
http://selleckchem.com/products/AZD8931.html

$$$$
SGI 1776 free base.cdx
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  4  9  1  0  0  0  0
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 10 11  2  0  0  0  0
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 15 10  1  0  0  0  0
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 16 17  1  0  0  0  0
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 17 19  1  0  0  0  0
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M  END
>  <Mol_ID> (33)
669

>  <Formula> (33)
C20H22F3N5O

>  <MolWeight> (33)
405.4167896

>  <Cat> (33)
S2198

>  <Name> (33)
SGI-1776 free base

>  <Synonyms> (33)
N/A

>  <Target> (33)
Apoptosis related,Autophagy,FLT3,Haspin Kinase,Pim

>  <Form> (33)
free base

>  <CAS> (33)
1025065-69-3

>  <URL> (33)
http://selleckchem.com/products/SGI-1776.html

$$$$
OSI 420.cdx
csChFnd80/04082409412D

 29 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
  6  1  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
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13  8  1  0  0  0  0
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 14 15  2  0  0  0  0
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 26 27  3  0  0  0  0
 22 28  1  0  0  0  0
M  END
>  <Mol_ID> (34)
672

>  <Formula> (34)
C21H22ClN3O4

>  <MolWeight> (34)
415.87008

>  <Cat> (34)
S2205

>  <Name> (34)
OSI-420

>  <Synonyms> (34)
DesMethyl Erlotinib (CP-473420) HCl

>  <Target> (34)
EGFR

>  <Form> (34)
Hydrochloride

>  <CAS> (34)
183320-51-6

>  <URL> (34)
http://selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

$$$$
AZ 960.cdx
csChFnd80/04082409412D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4138    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8387    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262   11.8854    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6262    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8387    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6262    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0511    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0511    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  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
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 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 12 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 18 19  2  0  0  0  0
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 23 18  1  0  0  0  0
 17 24  1  1  0  0  0
 21 25  1  0  0  0  0
  8 26  3  0  0  0  0
M  END
>  <Mol_ID> (35)
675

>  <Formula> (35)
C18H16F2N6

>  <MolWeight> (35)
354.3566464

>  <Cat> (35)
S2214

>  <Name> (35)
AZ 960

>  <Synonyms> (35)
N/A

>  <Target> (35)
Apoptosis related,JAK

>  <Form> (35)
free base

>  <CAS> (35)
905586-69-8

>  <URL> (35)
http://selleckchem.com/products/AZ-960.html

$$$$
Mubritinib.cdx
csChFnd80/04082409412D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4927    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    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 13  2  0  0  0  0
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M  END
>  <Mol_ID> (36)
677

>  <Formula> (36)
C25H23F3N4O2

>  <MolWeight> (36)
468.4709296

>  <Cat> (36)
S2216

>  <Name> (36)
Mubritinib (TAK 165)

>  <Synonyms> (36)
N/A

>  <Target> (36)
HER2

>  <Form> (36)
free base

>  <CAS> (36)
366017-09-6

>  <URL> (36)
http://selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
CYT 387.cdx
csChFnd80/04082409412D

 31 34  0  0  0  0  0  0  0  0999 V2000
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   18.1571    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3653    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5709    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
  5 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 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 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
 23 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
 30 31  3  0  0  0  0
M  END
>  <Mol_ID> (37)
680

>  <Formula> (37)
C23H22N6O2

>  <MolWeight> (37)
414.45978

>  <Cat> (37)
S2219

>  <Name> (37)
Momelotinib (CYT387)

>  <Synonyms> (37)
LM-1149 , CYT11387

>  <Target> (37)
Apoptosis related,Autophagy,JAK

>  <Form> (37)
free base

>  <CAS> (37)
1056634-68-4

>  <URL> (37)
http://selleckchem.com/products/Cyt387.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/04082409412D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2903    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
    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    7.6854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6827    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2578    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.4951    0.0000 C   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
    8.4702    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 14 23  1  6  0  0  0
 23 24  2  0  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 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (38)
682

>  <Formula> (38)
C22H18O11

>  <MolWeight> (38)
458.37172

>  <Cat> (38)
S2250

>  <Name> (38)
(-)-Epigallocatechin Gallate

>  <Synonyms> (38)
EGCG

>  <Target> (38)
DNA Methyltransferase,EGFR,Fatty Acid Synthase,HER2,Telomerase

>  <Form> (38)
free base

>  <CAS> (38)
989-51-5

>  <URL> (38)
http://selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Cryptotanshinone.cdx
csChFnd80/04082409412D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    5.8451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    7.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  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
 13 21  2  0  0  0  0
 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (39)
705

>  <Formula> (39)
C19H20O3

>  <MolWeight> (39)
296.3603

>  <Cat> (39)
S2285

>  <Name> (39)
Cryptotanshinone

>  <Synonyms> (39)
Tanshinone C

>  <Target> (39)
Apoptosis related,Autophagy,STAT

>  <Form> (39)
free base

>  <CAS> (39)
35825-57-1

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

$$$$
Chrysophanic acid.cdx
csChFnd80/04082409412D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (40)
762

>  <Formula> (40)
C15H10O4

>  <MolWeight> (40)
254.2375

>  <Cat> (40)
S2406

>  <Name> (40)
Chrysophanic Acid

>  <Synonyms> (40)
Chrysophanol

>  <Target> (40)
EGFR,mTOR

>  <Form> (40)
free base

>  <CAS> (40)
481-74-3

>  <URL> (40)
http://selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Curcumol.cdx
csChFnd80/04082409412D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (41)
763

>  <Formula> (41)
C15H24O2

>  <MolWeight> (41)
236.34986

>  <Cat> (41)
S2407

>  <Name> (41)
Curcumol

>  <Synonyms> (41)
N/A

>  <Target> (41)
JAK

>  <Form> (41)
free base

>  <CAS> (41)
4871-97-0

>  <URL> (41)
http://selleckchem.com/products/Curcumol.html

$$$$
TG1012009.cdx
csChFnd80/04082409412D

 36 39  0  0  0  0  0  0  0  0999 V2000
    4.8371    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3289    0.1827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (42)
787

>  <Formula> (42)
C26H35N7O2S

>  <MolWeight> (42)
509.6668

>  <Cat> (42)
S2692

>  <Name> (42)
TG101209

>  <Synonyms> (42)
N/A

>  <Target> (42)
c-RET,FLT3,JAK

>  <Form> (42)
free base

>  <CAS> (42)
936091-14-4

>  <URL> (42)
http://selleckchem.com/products/tg101209.html

$$$$
CP-690550 citrate.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (43)
830

>  <Formula> (43)
C22H28N6O8

>  <MolWeight> (43)
504.49312

>  <Cat> (43)
S5001

>  <Name> (43)
Tofacitinib (CP-690550) Citrate

>  <Synonyms> (43)
Tasocitinib Citrate,CP-690550

>  <Target> (43)
Anti-infection,JAK

>  <Form> (43)
Citrate

>  <CAS> (43)
540737-29-9

>  <URL> (43)
http://selleckchem.com/products/CP-690550.html

$$$$
TG101348.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (44)
918

>  <Formula> (44)
C27H36N6O3S

>  <MolWeight> (44)
524.67814

>  <Cat> (44)
S2736

>  <Name> (44)
Fedratinib (TG101348)

>  <Synonyms> (44)
SAR302503

>  <Target> (44)
Apoptosis related,c-RET,FLT3,JAK

>  <Form> (44)
free base

>  <CAS> (44)
936091-26-8

>  <URL> (44)
http://selleckchem.com/products/Fedratinib-SAR302503-TG101348.html

$$$$
PF299804.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (45)
931

>  <Formula> (45)
C24H25ClFN5O2

>  <MolWeight> (45)
469.9390032

>  <Cat> (45)
S2727

>  <Name> (45)
Dacomitinib (PF-00299804)

>  <Synonyms> (45)
PF299804,PF299

>  <Target> (45)
Apoptosis related,EGFR,HER2

>  <Form> (45)
free base

>  <CAS> (45)
1110813-31-4

>  <URL> (45)
http://selleckchem.com/products/pf299804.html

$$$$
AG-1478.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (46)
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>  <Synonyms> (46)
NSC 693255

>  <Target> (46)
EGFR,HCV,PI4K

>  <Form> (46)
free base

>  <CAS> (46)
153436-53-4,175178-82-2

>  <URL> (46)
http://selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
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>  <Mol_ID> (47)
1015

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C14H22N2O

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>  <Cat> (47)
S1357

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Lidocaine

>  <Synonyms> (47)
Alphacaine

>  <Target> (47)
Histamine Receptor

>  <Form> (47)
Free Base

>  <CAS> (47)
137-58-6

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

$$$$
TPCA-1.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (48)
1024

>  <Formula> (48)
C12H10FN3O2S

>  <MolWeight> (48)
279.2901032

>  <Cat> (48)
S2824

>  <Name> (48)
TPCA-1

>  <Synonyms> (48)
GW683965

>  <Target> (48)
Apoptosis related,I¦ÊB/IKK,NF-¦ÊB,STAT

>  <Form> (48)
free base

>  <CAS> (48)
507475-17-4

>  <URL> (48)
http://selleckchem.com/products/tpca-1.html

$$$$
Varlitinib(ARRY-334543).cdx
csChFnd80/04082409412D

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>  <Mol_ID> (49)
1047

>  <Formula> (49)
C22H19ClN6O2S

>  <MolWeight> (49)
466.94326

>  <Cat> (49)
S2755

>  <Name> (49)
Varlitinib

>  <Synonyms> (49)
ARRY334543

>  <Target> (49)
EGFR

>  <Form> (49)
free base

>  <CAS> (49)
845272-21-1

>  <URL> (49)
http://selleckchem.com/products/arry334543.html

$$$$
WHI-P154.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (50)
1074

>  <Formula> (50)
C16H14BrN3O3

>  <MolWeight> (50)
376.20466

>  <Cat> (50)
S2867

>  <Name> (50)
WHI-P154

>  <Synonyms> (50)
N/A

>  <Target> (50)
EGFR,JAK

>  <Form> (50)
free base

>  <CAS> (50)
211555-04-3

>  <URL> (50)
http://selleckchem.com/products/whi-p154.html

$$$$
Tyrphostin AG 17.cdx
csChFnd80/04082409412D

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    0.0000    4.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4095    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
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  7 10  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
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M  END
>  <Mol_ID> (51)
1116

>  <Formula> (51)
C18H22N2O

>  <MolWeight> (51)
282.38008

>  <Cat> (51)
S2895

>  <Name> (51)
Tyrphostin 9

>  <Synonyms> (51)
SF 6847, RG-50872

>  <Target> (51)
EGFR,PDGFR

>  <Form> (51)
free base

>  <CAS> (51)
10537-47-0

>  <URL> (51)
http://selleckchem.com/products/tyrphostin-9-sf-6847.html

$$$$
S-Ruxolitinib.cdx
csChFnd80/04082409412D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 14 10  2  0  0  0  0
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M  END
>  <Mol_ID> (52)
1120

>  <Formula> (52)
C17H18N6

>  <MolWeight> (52)
306.36502

>  <Cat> (52)
S2902

>  <Name> (52)
S-Ruxolitinib (INCB018424)

>  <Synonyms> (52)
N/A

>  <Target> (52)
JAK

>  <Form> (52)
free base

>  <CAS> (52)
941685-37-6

>  <URL> (52)
http://selleckchem.com/products/s-ruxolitinib.html

$$$$
icotinib.cdx
csChFnd80/04082409412D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (53)
1148

>  <Formula> (53)
C22H21N3O4

>  <MolWeight> (53)
391.41984

>  <Cat> (53)
S2922

>  <Name> (53)
Icotinib (BPI-2009H)

>  <Synonyms> (53)
BPI-2009H

>  <Target> (53)
EGFR

>  <Form> (53)
free base

>  <CAS> (53)
610798-31-7

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

$$$$
nifuroxazide.cdx
csChFnd80/04082409412D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (54)
1347

>  <Formula> (54)
C12H9N3O5

>  <MolWeight> (54)
275.21696

>  <Cat> (54)
S4182

>  <Name> (54)
Nifuroxazide

>  <Synonyms> (54)
N/A

>  <Target> (54)
STAT

>  <Form> (54)
free base

>  <CAS> (54)
965-52-6

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

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/04082409412D

 34 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (55)
1503

>  <Formula> (55)
C24H25ClFN5O3

>  <MolWeight> (55)
485.9384032

>  <Cat> (55)
S1011

>  <Name> (55)
Afatinib (BIBW2992)

>  <Synonyms> (55)
BIBW2992

>  <Target> (55)
Autophagy,EGFR,HER2

>  <Form> (55)
Free Base

>  <CAS> (55)
850140-72-6

>  <URL> (55)
http://selleckchem.com/products/BIBW2992.html

$$$$
R-Ruxolitinib.cdx
csChFnd80/04082409412D

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    1.2083    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5139    6.3505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3465    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371    7.4831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1678    8.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    7.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8679    9.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9311   11.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6521   10.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    9.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7726    9.5979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  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
  6  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  9  5  1  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
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 15 13  1  0  0  0  0
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 18 19  1  0  0  0  0
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 21 16  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
M  END
>  <Mol_ID> (56)
1510

>  <Formula> (56)
C17H18N6

>  <MolWeight> (56)
306.36502

>  <Cat> (56)
S1378

>  <Name> (56)
Ruxolitinib (INCB018424)

>  <Synonyms> (56)
INCB018424

>  <Target> (56)
Apoptosis related,Autophagy,JAK,Mitophagy

>  <Form> (56)
free base

>  <CAS> (56)
941678-49-5

>  <URL> (56)
http://selleckchem.com/products/INCB18424.html

$$$$
BMS-599626 (AC480).cdx
csChFnd80/04082409412D

 39 44  0  0  0  0  0  0  0  0999 V2000
   10.5349    4.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5349    2.9289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9598    2.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9598    4.3289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7474    5.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2035    4.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3806    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2035    2.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7474    6.4240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1951    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
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 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 26 28  1  0  0  0  0
  8 29  1  0  0  0  0
 29 30  1  0  0  0  0
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 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
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 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
M  END
>  <Mol_ID> (57)
1533

>  <Formula> (57)
C27H27FN8O3

>  <MolWeight> (57)
530.5534832

>  <Cat> (57)
S1056

>  <Name> (57)
AC480 (BMS-599626)

>  <Synonyms> (57)
N/A

>  <Target> (57)
EGFR,HER2

>  <Form> (57)
free base

>  <CAS> (57)
714971-09-2

>  <URL> (57)
http://selleckchem.com/products/BMS-599626.html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/04082409412D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.9705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.2729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3999    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (58)
1655

>  <Formula> (58)
C14H23ClN2O

>  <MolWeight> (58)
270.79822

>  <Cat> (58)
S4667

>  <Name> (58)
Lidocaine hydrochloride

>  <Synonyms> (58)
Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (58)
EGFR

>  <Form> (58)
hydrochloride

>  <CAS> (58)
73-78-9

>  <URL> (58)
http://selleckchem.com/products/lidocaine-hydrochloride.html

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/04082409412D

 30 27  0  0  0  0  0  0  0  0999 V2000
    2.4236    2.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    0.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    4.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    4.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    0.0743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    0.0749    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8548    4.9732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    4.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0638    4.2752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    4.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    6.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4922    4.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6974    4.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246    7.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500    6.3570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3855    6.3438    0.0000 Na  0  3  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
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (59)
1799

>  <Formula> (59)
C17H17N3Na2O8

>  <MolWeight> (59)
437.31172

>  <Cat> (59)
S3745

>  <Name> (59)
Balsalazide disodium

>  <Synonyms> (59)
N/A

>  <Target> (59)
Immunology & Inflammation related,Interleukins,STAT

>  <Form> (59)
disodium salt dihydrate

>  <CAS> (59)
150399-21-6

>  <URL> (59)
http://selleckchem.com/products/balsalazide-disodium.html

$$$$
S3759 Norcantharidin.cdx
csChFnd80/04082409412D

 12 14  0  0  0  0  0  0  0  0999 V2000
    0.2182    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    1.4028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5609    1.7635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5640    3.1635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2213    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.8028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7168    2.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444    3.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4040    4.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197    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
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (60)
1876

>  <Formula> (60)
C8H8O4

>  <MolWeight> (60)
168.14672

>  <Cat> (60)
S3759

>  <Name> (60)
Norcantharidin

>  <Synonyms> (60)
Endothall anhydride

>  <Target> (60)
c-Met,EGFR

>  <Form> (60)
free base

>  <CAS> (60)
29745-04-8

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

$$$$
S3787 Picroside I.cdx
csChFnd80/04082409412D

 38 42  0  0  0  0  0  0  0  0999 V2000
   15.8873    5.8563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   14.5571    6.2863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (61)
1885

>  <Formula> (61)
C24H28O11

>  <MolWeight> (61)
492.47252

>  <Cat> (61)
S3787

>  <Name> (61)
Picroside I

>  <Synonyms> (61)
6'-Cinnamoylcatalpol

>  <Target> (61)
Anti-infection

>  <Form> (61)
free base

>  <CAS> (61)
27409-30-9

>  <URL> (61)
http://selleckchem.com/products/picroside-i.html

$$$$
PD168393.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (62)
1973

>  <Formula> (62)
C17H13BrN4O

>  <MolWeight> (62)
369.21532

>  <Cat> (62)
S7039

>  <Name> (62)
PD168393

>  <Synonyms> (62)
N/A

>  <Target> (62)
EGFR

>  <Form> (62)
free base

>  <CAS> (62)
194423-15-9

>  <URL> (62)
http://selleckchem.com/products/pd168393.html

$$$$
CNX-2006.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (63)
1998

>  <Formula> (63)
C26H27F4N7O2

>  <MolWeight> (63)
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>  <Cat> (63)
S7206

>  <Name> (63)
CNX-2006

>  <Synonyms> (63)
N/A

>  <Target> (63)
EGFR

>  <Form> (63)
free base

>  <CAS> (63)
1375465-09-0

>  <URL> (63)
http://selleckchem.com/products/cnx-2006.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (64)
2233

>  <Formula> (64)
C21H18O12

>  <MolWeight> (64)
462.36042

>  <Cat> (64)
S3810

>  <Name> (64)
Scutellarin

>  <Synonyms> (64)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (64)
Akt,NF-¦ÊB,STAT

>  <Form> (64)
free base

>  <CAS> (64)
27740-01-8

>  <URL> (64)
http://selleckchem.com/products/scutellarin.html

$$$$
untitled.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (65)
2234

>  <Formula> (65)
C24H25ClFN5O3

>  <MolWeight> (65)
485.9384032

>  <Cat> (65)
S1019

>  <Name> (65)
Canertinib (CI-1033)

>  <Synonyms> (65)
PD183805

>  <Target> (65)
EGFR,HER2

>  <Form> (65)
Free Base

>  <CAS> (65)
267243-28-7

>  <URL> (65)
http://selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (66)
2237

>  <Formula> (66)
C22H24BrFN4O2

>  <MolWeight> (66)
475.3539632

>  <Cat> (66)
S1046

>  <Name> (66)
Vandetanib (ZD6474)

>  <Synonyms> (66)
ZD6474

>  <Target> (66)
Apoptosis related,Autophagy,EGFR,ROS,VEGFR

>  <Form> (66)
free base

>  <CAS> (66)
443913-73-3

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

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/04082409412D

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>  <Mol_ID> (67)
2261

>  <Formula> (67)
C11H6F3NO2S

>  <MolWeight> (67)
273.2310496

>  <Cat> (67)
S8005

>  <Name> (67)
SMI-4a

>  <Synonyms> (67)
TCS PIM-1 4a

>  <Target> (67)
Pim

>  <Form> (67)
free base

>  <CAS> (67)
438190-29-5

>  <URL> (67)
http://selleckchem.com/products/smi-4a.html

$$$$
AG 18.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (68)
2269

>  <Formula> (68)
C10H6N2O2

>  <MolWeight> (68)
186.16684

>  <Cat> (68)
S8009

>  <Name> (68)
AG-18

>  <Synonyms> (68)
RG-50810, Tyrphostin A23, TX 825

>  <Target> (68)
EGFR

>  <Form> (68)
free base

>  <CAS> (68)
118409-57-7

>  <URL> (68)
http://selleckchem.com/products/ag-18-tyrphostin-23.html

$$$$
AP26113.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (69)
2274

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C26H34ClN6O2P

>  <MolWeight> (69)
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AP26113-analog (ALK-IN-1)

>  <Synonyms> (69)
N/A

>  <Target> (69)
ALK,EGFR

>  <Form> (69)
free base

>  <CAS> (69)
1197958-12-5

>  <URL> (69)
http://selleckchem.com/products/ap26113.html

$$$$
STATTIC.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (70)
2298

>  <Formula> (70)
C8H5NO4S

>  <MolWeight> (70)
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S7024

>  <Name> (70)
Stattic

>  <Synonyms> (70)
N/A

>  <Target> (70)
Apoptosis related,STAT

>  <Form> (70)
free base

>  <CAS> (70)
19983-44-9

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

$$$$
Butein.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (71)
2304

>  <Formula> (71)
C15H12O5

>  <MolWeight> (71)
272.25278

>  <Cat> (71)
S8036

>  <Name> (71)
Butein

>  <Synonyms> (71)
N/A

>  <Target> (71)
EGFR

>  <Form> (71)
free base

>  <CAS> (71)
487-52-5

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

$$$$
s1023.cdx
csChFnd80/04082409412D

 30 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (72)
2320

>  <Formula> (72)
C22H24ClN3O4

>  <MolWeight> (72)
429.89666

>  <Cat> (72)
S1023

>  <Name> (72)
Erlotinib (OSI-774) HCl

>  <Synonyms> (72)
CP358774, NSC 718781,OSI-774 HCl

>  <Target> (72)
Autophagy,EGFR

>  <Form> (72)
Hydrochloride

>  <CAS> (72)
183319-69-9

>  <URL> (72)
http://selleckchem.com/products/Erlotinib-Hydrochloride.html

$$$$
Neratinib.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (73)
2374

>  <Formula> (73)
C30H29ClN6O3

>  <MolWeight> (73)
557.04266

>  <Cat> (73)
S2150

>  <Name> (73)
Neratinib (HKI-272)

>  <Synonyms> (73)
N/A

>  <Target> (73)
EGFR,HER2

>  <Form> (73)
free base

>  <CAS> (73)
698387-09-6

>  <URL> (73)
http://selleckchem.com/products/Neratinib(HKI-272).html

$$$$
AZ5104.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (74)
2435

>  <Formula> (74)
C27H31N7O2

>  <MolWeight> (74)
485.58074

>  <Cat> (74)
S7298

>  <Name> (74)
AZ5104

>  <Synonyms> (74)
N/A

>  <Target> (74)
EGFR

>  <Form> (74)
free base

>  <CAS> (74)
1421373-98-9

>  <URL> (74)
http://selleckchem.com/products/az5104.html

$$$$
FLLL32.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (75)
2464

>  <Formula> (75)
C28H32O6

>  <MolWeight> (75)
464.55008

>  <Cat> (75)
S7259

>  <Name> (75)
FLLL32

>  <Synonyms> (75)
N/A

>  <Target> (75)
IFN,Interleukins,JAK

>  <Form> (75)
free base

>  <CAS> (75)
1226895-15-3

>  <URL> (75)
http://selleckchem.com/products/flll32.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (76)
2560

>  <Formula> (76)
C16H10BrN3O2

>  <MolWeight> (76)
356.1735

>  <Cat> (76)
S7198

>  <Name> (76)
BIO

>  <Synonyms> (76)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime, 6-Bromoindirubin-3'-oxime, MLS 2052

>  <Target> (76)
Apoptosis related,CDK,GSK-3,JAK

>  <Form> (76)
free base

>  <CAS> (76)
667463-62-9

>  <URL> (76)
http://selleckchem.com/products/bio.html

$$$$
ZM39923 HCl.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (77)
2569

>  <Formula> (77)
C23H26ClNO

>  <MolWeight> (77)
367.91164

>  <Cat> (77)
S8004

>  <Name> (77)
ZM 39923 HCl

>  <Synonyms> (77)
N/A

>  <Target> (77)
JAK

>  <Form> (77)
HCl

>  <CAS> (77)
1021868-92-7

>  <URL> (77)
http://selleckchem.com/products/zm-39923-hcl.html

$$$$
CO-1686(AVL-301).cdx
csChFnd80/04082409412D

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>  <Formula> (78)
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>  <Cat> (78)
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>  <Name> (78)
Rociletinib (CO-1686)

>  <Synonyms> (78)
AVL-301

>  <Target> (78)
EGFR

>  <Form> (78)
free base

>  <CAS> (78)
1374640-70-6

>  <URL> (78)
http://selleckchem.com/products/co-1686.html

$$$$
pimozide.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (79)
2628

>  <Formula> (79)
C28H29F2N3O

>  <MolWeight> (79)
461.5461664

>  <Cat> (79)
S4358

>  <Name> (79)
Pimozide

>  <Synonyms> (79)
Orap, R6238

>  <Target> (79)
5-HT Receptor,Adrenergic Receptor,Dopamine Receptor,STAT

>  <Form> (79)
Free Base

>  <CAS> (79)
2062-78-4

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

$$$$
XL019.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (80)
2644

>  <Formula> (80)
C25H28N6O2

>  <MolWeight> (80)
444.52882

>  <Cat> (80)
S7036

>  <Name> (80)
XL019

>  <Synonyms> (80)
N/A

>  <Target> (80)
JAK

>  <Form> (80)
free base

>  <CAS> (80)
945755-56-6

>  <URL> (80)
http://selleckchem.com/products/xl019.html

$$$$
Pacritinib (SB1518).cdx
csChFnd80/04082409412D

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>  <Mol_ID> (81)
2658

>  <Formula> (81)
C28H32N4O3

>  <MolWeight> (81)
472.57868

>  <Cat> (81)
S8057

>  <Name> (81)
Pacritinib (SB1518)

>  <Synonyms> (81)
N/A

>  <Target> (81)
FLT3,JAK

>  <Form> (81)
free base

>  <CAS> (81)
937272-79-2

>  <URL> (81)
http://selleckchem.com/products/pacritinib-sb1518.html

$$$$
LM-3093 AZD9291.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (82)
2734

>  <Formula> (82)
C28H33N7O2

>  <MolWeight> (82)
499.60732

>  <Cat> (82)
S7297

>  <Name> (82)
Osimertinib (AZD9291)

>  <Synonyms> (82)
Mereletinib

>  <Target> (82)
EGFR

>  <Form> (82)
free base

>  <CAS> (82)
1421373-65-0

>  <URL> (82)
http://selleckchem.com/products/azd9291.html

$$$$
AZD1208.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (83)
2758

>  <Formula> (83)
C21H21N3O2S

>  <MolWeight> (83)
379.47534

>  <Cat> (83)
S7104

>  <Name> (83)
AZD1208

>  <Synonyms> (83)
N/A

>  <Target> (83)
Apoptosis related,Autophagy,Pim

>  <Form> (83)
free base

>  <CAS> (83)
1204144-28-4

>  <URL> (83)
http://selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (84)
2761

>  <Formula> (84)
C26H25Cl2N3O3

>  <MolWeight> (84)
498.401

>  <Cat> (84)
S7041

>  <Name> (84)
CX-6258 HCl

>  <Synonyms> (84)
N/A

>  <Target> (84)
Pim

>  <Form> (84)
Hydrochloride

>  <CAS> (84)
1353859-00-3

>  <URL> (84)
http://selleckchem.com/products/CX-6258.html

$$$$
HO-3867.cdx
csChFnd80/04082409412D

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HO-3867

>  <Synonyms> (85)
N/A

>  <Target> (85)
Apoptosis related,STAT

>  <Form> (85)
free base

>  <CAS> (85)
1172133-28-6

>  <URL> (85)
http://selleckchem.com/products/ho-3867.html

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>  <Mol_ID> (86)
2795

>  <Formula> (86)
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SH-4-54

>  <Synonyms> (86)
N/A

>  <Target> (86)
STAT

>  <Form> (86)
free base

>  <CAS> (86)
1456632-40-8

>  <URL> (86)
http://selleckchem.com/products/sh-4-54.html

$$$$
Go6976.cdx
csChFnd80/04082409412D

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C24H18N4O

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Go6976

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PD406976

>  <Target> (87)
FLT3,JAK,PKC

>  <Form> (87)
free base

>  <CAS> (87)
136194-77-9

>  <URL> (87)
http://selleckchem.com/products/go6976.html

$$$$
filgotinib.cdx
csChFnd80/04082409412D

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>  <Formula> (88)
C21H23N5O3S

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>  <Name> (88)
Filgotinib (GLPG0634)

>  <Synonyms> (88)
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>  <Target> (88)
JAK

>  <Form> (88)
free base

>  <CAS> (88)
1206161-97-8

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

$$$$
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csChFnd80/04082409412D

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M  END
>  <Mol_ID> (89)
2859

>  <Formula> (89)
C20H28ClN7O3S

>  <MolWeight> (89)
481.99942

>  <Cat> (89)
S7634

>  <Name> (89)
Cerdulatinib (PRT062070) hydrochloride

>  <Synonyms> (89)
PRT2070 hydrochloride

>  <Target> (89)
JAK,Syk

>  <Form> (89)
hydrochloride

>  <CAS> (89)
1369761-01-2

>  <URL> (89)
http://selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (90)
2896

>  <Formula> (90)
C23H21Cl2FN4O3

>  <MolWeight> (90)
491.3422432

>  <Cat> (90)
S7358

>  <Name> (90)
Poziotinib (HM781-36B)

>  <Synonyms> (90)
NOV120101

>  <Target> (90)
Apoptosis related,EGFR,HER2

>  <Form> (90)
free base

>  <CAS> (90)
1092364-38-9

>  <URL> (90)
http://selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
LFM-A13.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (91)
2912

>  <Formula> (91)
C11H8Br2N2O2

>  <MolWeight> (91)
360.00142

>  <Cat> (91)
S7734

>  <Name> (91)
LFM-A13

>  <Synonyms> (91)
N/A

>  <Target> (91)
BTK

>  <Form> (91)
free base

>  <CAS> (91)
244240-24-2

>  <URL> (91)
http://selleckchem.com/products/lfm-a13.html

$$$$
Erlotinib free Base.cdx
csChFnd80/04082409412D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (92)
2939

>  <Formula> (92)
C22H23N3O4

>  <MolWeight> (92)
393.43572

>  <Cat> (92)
S7786

>  <Name> (92)
Erlotinib (OSI-774)

>  <Synonyms> (92)
CP358774, NSC 718781, Tarceva

>  <Target> (92)
Autophagy,EGFR

>  <Form> (92)
free base

>  <CAS> (92)
183321-74-6

>  <URL> (92)
http://selleckchem.com/products/erlotinib.html

$$$$
CL-387785.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (93)
2941

>  <Formula> (93)
C18H13BrN4O

>  <MolWeight> (93)
381.22602

>  <Cat> (93)
S7557

>  <Name> (93)
CL-387785 (EKI-785)

>  <Synonyms> (93)
WAY-EKI 785

>  <Target> (93)
EGFR

>  <Form> (93)
free base

>  <CAS> (93)
194423-06-8

>  <URL> (93)
http://selleckchem.com/products/cl-387785-eki-785.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (94)
2953

>  <Formula> (94)
C32H33ClFN5O11

>  <MolWeight> (94)
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>  <Name> (94)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (94)
N/A

>  <Target> (94)
Autophagy,EGFR,HER2

>  <Form> (94)
Dimaleate

>  <CAS> (94)
850140-73-7

>  <URL> (94)
http://selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
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>  <Mol_ID> (95)
2996

>  <Formula> (95)
C14H8O4

>  <MolWeight> (95)
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>  <Cat> (95)
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>  <Name> (95)
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>  <Synonyms> (95)
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>  <Target> (95)
STAT

>  <Form> (95)
free base

>  <CAS> (95)
83280-65-3

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

$$$$
ASP015K.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (96)
3002

>  <Formula> (96)
C18H22N4O2

>  <MolWeight> (96)
326.39288

>  <Cat> (96)
S7650

>  <Name> (96)
Peficitinib (ASP015K)

>  <Synonyms> (96)
JNJ-54781532

>  <Target> (96)
JAK

>  <Form> (96)
free base

>  <CAS> (96)
944118-01-8

>  <URL> (96)
http://selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
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csChFnd80/04082409412D

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>  <Mol_ID> (97)
3026

>  <Formula> (97)
C18H19F3N6O

>  <MolWeight> (97)
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>  <Cat> (97)
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>  <Name> (97)
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>  <Synonyms> (97)
N/A

>  <Target> (97)
JAK

>  <Form> (97)
free base

>  <CAS> (97)
944842-54-0

>  <URL> (97)
http://selleckchem.com/products/decernotinib-vx-509.html

$$$$
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    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (98)
3029

>  <Formula> (98)
C22H23ClFN5O3

>  <MolWeight> (98)
459.9011232

>  <Cat> (98)
S7971

>  <Name> (98)
Zorifertinib (AZD3759)

>  <Synonyms> (98)
N/A

>  <Target> (98)
EGFR

>  <Form> (98)
free base

>  <CAS> (98)
1626387-80-1

>  <URL> (98)
http://selleckchem.com/products/azd3759.html

$$$$
STA-21.cdx
csChFnd80/04082409412D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  3 19  2  0  0  0  0
 11 20  2  0  0  0  0
 14 21  2  0  0  0  0
 18 22  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
>  <Mol_ID> (99)
3055

>  <Formula> (99)
C19H14O4

>  <MolWeight> (99)
306.31206

>  <Cat> (99)
S7951

>  <Name> (99)
Ochromycinone (STA-21)

>  <Synonyms> (99)
N/A

>  <Target> (99)
STAT

>  <Form> (99)
free base

>  <CAS> (99)
111540-00-2

>  <URL> (99)
http://selleckchem.com/products/sta-21.html

$$$$

csChFnd80/04082409412D

 15 15  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2002    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
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
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  8 13  1  0  0  0  0
  3  6  1  0  0  0  0
 14 15  3  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (100)
3074

>  <Formula> (100)
C10H8N2O3

>  <MolWeight> (100)
204.18212

>  <Cat> (100)
S1054

>  <Name> (100)
AG99

>  <Synonyms> (100)
Tyrphostin 46,Tyrphostin A46,Tyrphostin B40

>  <Target> (100)
EGFR

>  <Form> (100)
Free Base

>  <CAS> (100)
122520-85-8

>  <URL> (100)
http://www.selleck.cn/products/ag99.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/04082409412D

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.5273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.4273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    0.6947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.7273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    7.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.7273    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.4273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9154    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9154    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3318    3.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    5.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3318    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (101)
3077

>  <Formula> (101)
C19H27N5O6S

>  <MolWeight> (101)
453.51258

>  <Cat> (101)
S8195

>  <Name> (101)
Oclacitinib?maleate

>  <Synonyms> (101)
PF-03394197

>  <Target> (101)
JAK

>  <Form> (101)
maleate

>  <CAS> (101)
1640292-55-2

>  <URL> (101)
http://selleckchem.com/products/oclacitinib-maleate.html

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/04082409412D

 35 39  0  0  0  0  0  0  0  0999 V2000
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    4.4674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2787    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  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
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  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
 27 28  2  0  0  0  0
 26 29  2  0  0  0  0
  7 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34  7  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (102)
3146

>  <Formula> (102)
C26H26N6O2S

>  <MolWeight> (102)
486.58864

>  <Cat> (102)
S8294

>  <Name> (102)
Olmutinib (BI 1482694)

>  <Synonyms> (102)
HM61713

>  <Target> (102)
BTK,EGFR

>  <Form> (102)
free base

>  <CAS> (102)
1353550-13-6

>  <URL> (102)
http://selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
EAI045.cdx
csChFnd80/04082409412D

 27 30  0  0  0  0  0  0  0  0999 V2000
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EGFR

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free base

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1942114-09-1

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http://selleckchem.com/products/eai045.html

$$$$
NSC228155.cdx
csChFnd80/04082409412D

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N/A

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EGFR

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free base

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113104-25-9

>  <URL> (104)
http://selleckchem.com/products/nsc228155.html

$$$$
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csChFnd80/04082409412D

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>  <Mol_ID> (105)
3208

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C23H28N8O

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432.52142

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S7144

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BMS-911543

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JAK

>  <Form> (105)
free base

>  <CAS> (105)
1271022-90-2

>  <URL> (105)
http://selleckchem.com/products/bms-911543.html

$$$$
Alantolactone.cdx
csChFnd80/04082409412D

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helenin, helenine, Eupatal

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TGF-beta/Smad

>  <Form> (106)
free base

>  <CAS> (106)
546-43-0

>  <URL> (106)
http://selleckchem.com/products/alantolactone.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (110)
3308

>  <Formula> (110)
C30H42N8O3

>  <MolWeight> (110)
562.70628

>  <Cat> (110)
S8412

>  <Name> (110)
Naquotinib(ASP8273)

>  <Synonyms> (110)
N/A

>  <Target> (110)
EGFR

>  <Form> (110)
free base

>  <CAS> (110)
1448232-80-1

>  <URL> (110)
http://selleckchem.com/products/naquotinib-asp8273.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (111)
3315

>  <Formula> (111)
C15H18O2

>  <MolWeight> (111)
230.30222

>  <Cat> (111)
S8291

>  <Name> (111)
Atractylenolide I

>  <Synonyms> (111)
N/A

>  <Target> (111)
Immunology & Inflammation related

>  <Form> (111)
free base

>  <CAS> (111)
73069-13-3

>  <URL> (111)
http://selleckchem.com/products/atractylenolide-i.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (112)
3325

>  <Formula> (112)
C26H31ClN6O2

>  <MolWeight> (112)
495.01634

>  <Cat> (112)
S7824

>  <Name> (112)
Nazartinib (EGF816)

>  <Synonyms> (112)
NVS-816

>  <Target> (112)
EGFR

>  <Form> (112)
free base

>  <CAS> (112)
1508250-71-2

>  <URL> (112)
http://selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
HJC0152.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (113)
3392

>  <Formula> (113)
C15H14Cl3N3O4

>  <MolWeight> (113)
406.64836

>  <Cat> (113)
S8561

>  <Name> (113)
HJC0152

>  <Synonyms> (113)
N/A

>  <Target> (113)
STAT

>  <Form> (113)
hydrochloride

>  <CAS> (113)
1420290-99-8

>  <URL> (113)
http://selleckchem.com/products/hjc0152.html

$$$$
FM-381.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (114)
3440

>  <Formula> (114)
C24H24N6O2

>  <MolWeight> (114)
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>  <Name> (114)
FM-381

>  <Synonyms> (114)
N/A

>  <Target> (114)
JAK

>  <Form> (114)
free base

>  <CAS> (114)
2226521-65-7

>  <URL> (114)
http://selleckchem.com/products/fm-381.html

$$$$
C188-9.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (115)
3447

>  <Formula> (115)
C27H21NO5S

>  <MolWeight> (115)
471.52434

>  <Cat> (115)
S8605

>  <Name> (115)
C188-9

>  <Synonyms> (115)
TTI 101

>  <Target> (115)
STAT

>  <Form> (115)
free base

>  <CAS> (115)
432001-19-9

>  <URL> (115)
http://selleckchem.com/products/c188-9.html

$$$$
S4770 Creatine phosphate disodium salt.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (116)
3485

>  <Formula> (116)
C4H8N3Na2O5P

>  <MolWeight> (116)
255.076721

>  <Cat> (116)
S4770

>  <Name> (116)
Creatine phosphate disodium salt

>  <Synonyms> (116)
Phosphocreatine disodium salt

>  <Target> (116)
Others

>  <Form> (116)
disodium salt

>  <CAS> (116)
922-32-7

>  <URL> (116)
http://selleckchem.com/products/creatine-phosphate-disodium-salt.html

$$$$
PF-06651600.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (117)
3502

>  <Formula> (117)
C15H19N5O

>  <MolWeight> (117)
285.34426

>  <Cat> (117)
S8538

>  <Name> (117)
Ritlecitinib (PF-06651600)

>  <Synonyms> (117)
N/A

>  <Target> (117)
JAK

>  <Form> (117)
free base

>  <CAS> (117)
1792180-81-4

>  <URL> (117)
http://selleckchem.com/products/pf-06651600.html

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/04082409412D

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>  <Mol_ID> (118)
3555

>  <Formula> (118)
C26H23F4N9O

>  <MolWeight> (118)
553.5141328

>  <Cat> (118)
S7812

>  <Name> (118)
Itacitinib (INCB39110)

>  <Synonyms> (118)
N/A

>  <Target> (118)
JAK

>  <Form> (118)
free base

>  <CAS> (118)
1334298-90-6

>  <URL> (118)
http://selleckchem.com/products/itacitinib-incb39110.html

$$$$
AS1517499.cdx
csChFnd80/04082409412D

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 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 20 24  2  0  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 20  1  0  0  0  0
M  END
>  <Mol_ID> (119)
3601

>  <Formula> (119)
C20H20ClN5O2

>  <MolWeight> (119)
397.8581

>  <Cat> (119)
S8685

>  <Name> (119)
AS1517499

>  <Synonyms> (119)
N/A

>  <Target> (119)
STAT

>  <Form> (119)
free base

>  <CAS> (119)
919486-40-1

>  <URL> (119)
http://selleckchem.com/products/as1517499.html

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/04082409412D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371    7.4831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1678    8.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    7.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8679    9.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312   11.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6521   10.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    9.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7726    9.5979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    2.8229    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    1.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    4.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  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
  6  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  9  5  1  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
 14 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
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (120)
3668

>  <Formula> (120)
C17H21N6O4P

>  <MolWeight> (120)
404.360201

>  <Cat> (120)
S5243

>  <Name> (120)
Ruxolitinib Phosphate

>  <Synonyms> (120)
INCB018424, INC424

>  <Target> (120)
Apoptosis related,Autophagy,JAK,Mitophagy

>  <Form> (120)
phosphate

>  <CAS> (120)
1092939-17-7

>  <URL> (120)
http://selleckchem.com/products/ruxolitinib-phosphate.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/04082409412D

 32 34  0  0  0  0  0  0  0  0999 V2000
   10.9179    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1553    4.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9179    6.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6978    4.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1553    2.7802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3793    4.8885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6935    7.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1579    7.0386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4783    4.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3677    2.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3793    6.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4881    6.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2676    4.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5630    2.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3677    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2859    7.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0378    4.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7527    2.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5681    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0703    6.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    4.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7527    0.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9671    2.7845    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6142    4.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9721    0.0081    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4023    4.2142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4023    2.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2021    4.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060    2.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0146    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8956    1.3920    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (121)
3682

>  <Formula> (121)
C22H25Cl2FN4O3

>  <MolWeight> (121)
483.3633032

>  <Cat> (121)
S5098

>  <Name> (121)
Gefitinib hydrochloride

>  <Synonyms> (121)
ZD1839 hydrochloride

>  <Target> (121)
EGFR

>  <Form> (121)
hydrochloride

>  <CAS> (121)
184475-55-6

>  <URL> (121)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/04082409412D

 60 67  0  0  0  0  0  0  0  0999 V2000
    1.2167    4.1933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2167    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4269    2.0966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    4.9015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8429    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2668    2.0888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4745    2.7842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4801    4.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2673    4.8862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0491    4.1881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6808    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1046    2.0888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1052    4.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8871    4.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3178    4.1841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3070    2.7913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5011    2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7137    2.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5227    4.8751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7241    4.1635    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7523    6.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5316    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9537    6.2395    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9338    4.8373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1318    4.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3568    4.8031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1711    6.9274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3735    6.1992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5985    6.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6319    8.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4295    9.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1937    8.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    4.8891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    6.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    2.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    0.6942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2651    0.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4626    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2931    1.3954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5115    3.4778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199    3.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5613    4.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705    6.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3074    5.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7156    5.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7768    5.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7118    5.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1677    7.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2160    9.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6314    9.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1031    0.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
  4  7  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
  1  2  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
 31 36  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
 15 18  1  0  0  0  0
 13 37  1  1  0  0  0
 16 20  1  0  0  0  0
  6 38  1  1  0  0  0
 19 17  1  0  0  0  0
  2 39  1  1  0  0  0
 17 18  1  0  0  0  0
  1 40  1  6  0  0  0
 19 20  1  0  0  0  0
  4 41  1  6  0  0  0
  1  6  1  0  0  0  0
  3 42  1  6  0  0  0
  2  3  1  0  0  0  0
  9 43  1  6  0  0  0
  3  4  1  0  0  0  0
 10 44  1  6  0  0  0
  4  5  1  0  0  0  0
 20 45  1  6  0  0  0
 19 23  1  0  0  0  0
 23 46  1  6  0  0  0
 20 21  1  0  0  0  0
 28 47  1  6  0  0  0
 21 22  1  0  0  0  0
 30 48  1  6  0  0  0
 22 24  1  0  0  0  0
 12 49  1  1  0  0  0
 23 24  1  0  0  0  0
 16 50  1  1  0  0  0
  5  6  1  0  0  0  0
 19 51  1  1  0  0  0
  8 13  1  0  0  0  0
 24 52  1  1  0  0  0
  9 10  1  0  0  0  0
 27 53  1  1  0  0  0
 10 11  1  0  0  0  0
 32 54  1  1  0  0  0
 53 54  1  0  0  0  0
 23 26  1  0  0  0  0
 31 55  1  1  0  0  0
 24 28  1  0  0  0  0
 35 56  1  0  0  0  0
 27 25  1  0  0  0  0
 35 57  1  0  0  0  0
 25 26  2  0  0  0  0
 38 58  1  0  0  0  0
 27 28  1  0  0  0  0
 16 59  1  0  0  0  0
 11 12  1  0  0  0  0
 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (122)
3824

>  <Formula> (122)
C42H68O13

>  <MolWeight> (122)
780.98152

>  <Cat> (122)
S5454

>  <Name> (122)
Saikosaponin D

>  <Synonyms> (122)
N/A

>  <Target> (122)
ATPase

>  <Form> (122)
free base

>  <CAS> (122)
20874-52-6

>  <URL> (122)
http://selleckchem.com/products/saikosaponin-d.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/04082409412D

 72 80  0  0  0  0  0  0  0  0999 V2000
   27.7632   15.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.7632   16.8217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.5586   14.7207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0955   14.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (123)
3872

>  <Formula> (123)
C49H76O20

>  <MolWeight> (123)
985.11574

>  <Cat> (123)
S5554

>  <Name> (123)
Lanatoside C

>  <Synonyms> (123)
N/A

>  <Target> (123)
Akt,Antiviral,Apoptosis related,Autophagy,JAK,mTOR,PI3K,STAT,Wnt/beta-catenin

>  <Form> (123)
free base

>  <CAS> (123)
17575-22-3

>  <URL> (123)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5588 Creatine.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (124)
3894

>  <Formula> (124)
C4H9N3O2

>  <MolWeight> (124)
131.13316

>  <Cat> (124)
S5588

>  <Name> (124)
Creatine

>  <Synonyms> (124)
Methylguanidoacetic acid

>  <Target> (124)
IFN,JAK

>  <Form> (124)
free base

>  <CAS> (124)
57-00-1

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

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/04082409412D

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>  <Mol_ID> (125)
3913

>  <Formula> (125)
C20H18O6

>  <MolWeight> (125)
354.35332

>  <Cat> (125)
S3934

>  <Name> (125)
Acetyl Resveratrol

>  <Synonyms> (125)
N/A

>  <Target> (125)
Others

>  <Form> (125)
free base

>  <CAS> (125)
42206-94-0

>  <URL> (125)
https://www.selleckchem.com/products/acetyl-resveratrol.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/04082409412D

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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
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 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 21 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
  8 12  1  0  0  0  0
 12 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37  8  1  0  0  0  0
  7 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
M  END
>  <Mol_ID> (126)
3974

>  <Formula> (126)
C30H34N8O3

>  <MolWeight> (126)
554.64276

>  <Cat> (126)
S8724

>  <Name> (126)
Lazertinib

>  <Synonyms> (126)
YH25448,GNS-1480

>  <Target> (126)
EGFR

>  <Form> (126)
free base

>  <CAS> (126)
1903008-80-9

>  <URL> (126)
http://selleckchem.com/products/lazertinib-yh25448-gns-1480.html

$$$$
S9414 Cyasterone.cdx
csChFnd80/04082409412D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (127)
4041

>  <Formula> (127)
C29H44O8

>  <MolWeight> (127)
520.65486

>  <Cat> (127)
S9414

>  <Name> (127)
Cyasterone

>  <Target> (127)
EGFR

>  <Form> (127)
free base

>  <CAS> (127)
17086-76-9

>  <URL> (127)
https://www.selleckchem.com/products/cyasterone.html

$$$$

csChFnd80/04082409412D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4110    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4110    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    3.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3950    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6206    3.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    1.4027    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    4.1781    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    2.4201    5.5854    0.0000 Br  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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  5 10  1  0  0  0  0
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  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (128)
4101

>  <Formula> (128)
C6H6Br6

>  <MolWeight> (128)
557.53584

>  <Cat> (128)
S5902

>  <Name> (128)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (128)
NSC7908

>  <Target> (128)
JAK

>  <Form> (128)
Free Base

>  <CAS> (128)
1837-91-8

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

$$$$

csChFnd80/04082409412D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (129)
4102

>  <Formula> (129)
C16H15N3O3

>  <MolWeight> (129)
297.3086

>  <Cat> (129)
S5903

>  <Name> (129)
JANEX-1

>  <Synonyms> (129)
WHI-P131

>  <Target> (129)
JAK

>  <Form> (129)
Free Base

>  <CAS> (129)
202475-60-3

>  <URL> (129)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/04082409412D

 24 26  0  0  0  0  0  0  0  0999 V2000
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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
  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
 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
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (130)
4103

>  <Formula> (130)
C16H13Br2N3O3

>  <MolWeight> (130)
455.10072

>  <Cat> (130)
S5904

>  <Name> (130)
WHI-P97

>  <Synonyms> (130)
N/A

>  <Target> (130)
JAK

>  <Form> (130)
Free Base

>  <CAS> (130)
211555-05-4

>  <URL> (130)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/04082409412D

 29 33  0  0  0  0  0  0  0  0999 V2000
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   10.5456    5.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5456    3.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7579    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7579    1.8407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9704    3.9407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3327    5.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6850    4.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3227    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0473    6.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0373    4.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
  7 15  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 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  2  0  0  0  0
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 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (131)
4114

>  <Formula> (131)
C22H23N5O2

>  <MolWeight> (131)
389.45032

>  <Cat> (131)
S5917

>  <Name> (131)
Solcitinib

>  <Synonyms> (131)
GLPG0778, GSK2586184

>  <Target> (131)
JAK

>  <Form> (131)
Free Base

>  <CAS> (131)
1206163-45-2

>  <URL> (131)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/04082409412D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    4.8497   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 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 13  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 21 18  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  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 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 35 30  1  0  0  0  0
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M  END
>  <Mol_ID> (132)
4153

>  <Formula> (132)
C26H26FN7O2

>  <MolWeight> (132)
487.5287432

>  <Cat> (132)
S8741

>  <Name> (132)
Avitinib (AC0010)

>  <Synonyms> (132)
Abivertinib

>  <Target> (132)
BTK,EGFR

>  <Form> (132)
Free Base

>  <CAS> (132)
1557267-42-1

>  <URL> (132)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/04082409412D

 40 44  0  0  0  0  0  0  0  0999 V2000
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    7.0769    3.7797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6971    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7320    1.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5466    5.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1445    2.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2274    0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.7204    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  1  0  0  0  0
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  2  7  1  0  0  0  0
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M  END
>  <Mol_ID> (133)
4173

>  <Formula> (133)
C29H39NO9

>  <MolWeight> (133)
545.62126

>  <Cat> (133)
S9015

>  <Name> (133)
Homoharringtonine (CGX-635)

>  <Synonyms> (133)
Omacetaxine mepesuccinate, HHT, Myelostat, NSC 141633

>  <Target> (133)
STAT

>  <CAS> (133)
26833-87-4

>  <URL> (133)
https://www.selleckchem.com/products/homoharringtonine.html

$$$$
S9100 Fraxinellone.cdx
csChFnd80/04082409412D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
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M  END
>  <Mol_ID> (134)
4235

>  <Formula> (134)
C14H16O3

>  <MolWeight> (134)
232.27504

>  <Cat> (134)
S9100

>  <Name> (134)
Fraxinellone

>  <Target> (134)
Immunology & Inflammation related

>  <Form> (134)
free base

>  <CAS> (134)
28808-62-0

>  <URL> (134)
https://www.selleckchem.com/products/fraxinellone.html

$$$$
S9288 Casticin.cdx
csChFnd80/04082409412D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (135)
4378

>  <Formula> (135)
C19H18O8

>  <MolWeight> (135)
374.34142

>  <Cat> (135)
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Casticin

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Vitexicarpin

>  <Target> (135)
Immunology & Inflammation related

>  <Form> (135)
free base

>  <CAS> (135)
479-91-4

>  <URL> (135)
https://www.selleckchem.com/products/casticin.html

$$$$

csChFnd80/04082409412D

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4514

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C16H14N2O2

>  <MolWeight> (136)
266.29456

>  <Cat> (136)
S2115

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RG 13022

>  <Synonyms> (136)
Tyrphostin RG13022

>  <Target> (136)
EGFR

>  <Form> (136)
Free Base

>  <CAS> (136)
136831-48-6

>  <URL> (136)
http://www.selleck.cn/products/rg-13022.html

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/04082409412D

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M  END
>  <Mol_ID> (137)
4552

>  <Formula> (137)
C43H44ClFN4O11S3

>  <MolWeight> (137)
943.4760632

>  <Cat> (137)
S5241

>  <Name> (137)
Lapatinib ditosylate monohydrate

>  <Synonyms> (137)
Lapatinib ditoluenesulfonate monohydrate, Lapatinib tosilate, Lapatinib tosilate hydrate

>  <Target> (137)
HER2

>  <Form> (137)
ditosylate monohydrate

>  <CAS> (137)
388082-78-8

>  <URL> (137)
https://www.selleckchem.com/products/lapatinib-ditosylate-monohydrate.html

$$$$

csChFnd80/04082409412D

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 17 13  1  0  0  0  0
  9 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 22  9  1  0  0  0  0
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 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 30 36  1  0  0  0  0
 11 37  1  0  0  0  0
 38 39  1  0  0  0  0
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M  END
>  <Mol_ID> (138)
4611

>  <Formula> (138)
C29H37N7O5S

>  <MolWeight> (138)
595.71298

>  <Cat> (138)
S5078

>  <Name> (138)
Osimertinib mesylate

>  <Synonyms> (138)
AZD9291 mesylate

>  <Target> (138)
EGFR

>  <Form> (138)
mesylate

>  <CAS> (138)
1421373-66-1

>  <URL> (138)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/04082409412D

 31 33  0  0  0  0  0  0  0  0999 V2000
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  4  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
  8 12  1  0  0  0  0
 13 14  2  0  0  0  0
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 13 18  1  0  0  0  0
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 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  6  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  4 22  1  0  0  0  0
  2  6  1  0  0  0  0
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M  END
>  <Mol_ID> (139)
4676

>  <Formula> (139)
C16H20N7O6PS

>  <MolWeight> (139)
469.412061

>  <Cat> (139)
S5754

>  <Name> (139)
Baricitinib phosphate

>  <Synonyms> (139)
INCB-028050 phosphate, LY-3009104 phosphate

>  <Target> (139)
COVID-19,JAK

>  <Form> (139)
phosphate

>  <CAS> (139)
1187595-84-1

>  <URL> (139)
http://www.selleckchem.com/products/baricitinib-phosphate.html

$$$$

csChFnd80/04082409412D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 12  1  0  0  0  0
 14 16  1  6  0  0  0
 16 17  1  0  0  0  0
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M  END
>  <Mol_ID> (140)
5043

>  <Formula> (140)
C14H21N5O2S

>  <MolWeight> (140)
323.41384

>  <Cat> (140)
S8765

>  <Name> (140)
Abrocitinib (PF-04965842)

>  <Synonyms> (140)
N/A

>  <Target> (140)
JAK

>  <Form> (140)
free base

>  <CAS> (140)
1622902-68-4

>  <URL> (140)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/04082409412D

 10  8  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
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  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (141)
5052

>  <Formula> (141)
C4H11N3O3

>  <MolWeight> (141)
149.14844

>  <Cat> (141)
S6023

>  <Name> (141)
Creatine monohydrate

>  <Synonyms> (141)
Methylguanidoacetic acid monohydrate

>  <Target> (141)
Others

>  <Form> (141)
monohydrate

>  <CAS> (141)
6020-87-7

>  <URL> (141)
http://www.selleck.cn/products/creatine-monohydrate.html

$$$$

csChFnd80/04082409412D

 28 32  0  0  0  0  0  0  0  0999 V2000
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   10.2200    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820    4.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 14 13  1  6  0  0  0
 13 15  2  0  0  0  0
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 17 14  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
 23 26  1  0  0  0  0
 11 27  1  0  0  0  0
 27 28  1  0  0  0  0
  9 28  1  0  0  0  0
M  END
>  <Mol_ID> (142)
5100

>  <Formula> (142)
C18H21F2N7O

>  <MolWeight> (142)
389.4024464

>  <Cat> (142)
S8804

>  <Name> (142)
Brepocitinib (PF-06700841)

>  <Synonyms> (142)
PF-841

>  <Target> (142)
JAK

>  <Form> (142)
Free Base

>  <CAS> (142)
1883299-62-4

>  <URL> (142)
http://www.selleck.cn/products/pf-06700841.html

$$$$

csChFnd80/04082409412D

 39 43  0  0  0  0  0  0  0  0999 V2000
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   19.4471    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2347    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1735    3.6798    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
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13  7  2  0  0  0  0
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 15 16  1  0  0  0  0
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 17 11  1  0  0  0  0
 12 18  1  0  0  0  0
  9 19  2  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  9  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
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 31 32  1  0  0  0  0
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 32 34  1  0  0  0  0
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M  END
>  <Mol_ID> (143)
5101

>  <Formula> (143)
C30H35N7O2

>  <MolWeight> (143)
525.6446

>  <Cat> (143)
S8817

>  <Name> (143)
Almonertinib (HS-10296)

>  <Synonyms> (143)
Aumolertinib, Ameile

>  <Target> (143)
EGFR

>  <Form> (143)
Free Base

>  <CAS> (143)
1899921-05-1

>  <URL> (143)
http://www.selleck.cn/products/hs-10296.html

$$$$

csChFnd80/04082409412D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  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
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
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  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 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
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M  END
>  <Mol_ID> (144)
5118

>  <Formula> (144)
C13H8Cl2N2O4

>  <MolWeight> (144)
327.11962

>  <Cat> (144)
S3030

>  <Name> (144)
Niclosamide (BAY2353)

>  <Synonyms> (144)
Niclocide, NSC 178296

>  <Target> (144)
Autophagy,STAT

>  <Form> (144)
Free Base

>  <CAS> (144)
50-65-7

>  <URL> (144)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

csChFnd80/04082409412D

 31 35  0  0  0  0  0  0  0  0999 V2000
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    4.8455    3.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  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
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 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 17  2  0  0  0  0
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 23 24  2  0  0  0  0
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 25 19  2  0  0  0  0
 24 26  1  0  0  0  0
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 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
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  7  8  3  0  0  0  0
M  END
>  <Mol_ID> (145)
5217

>  <Formula> (145)
C23H18N6O2

>  <MolWeight> (145)
410.42802

>  <Cat> (145)
S7137

>  <Name> (145)
GLPG0634 analogue

>  <Synonyms> (145)
N/A

>  <Target> (145)
JAK

>  <Form> (145)
Free Base

>  <CAS> (145)
1206101-20-3

>  <URL> (145)
http://www.selleck.cn/products/glpg0634.html

$$$$

csChFnd80/04082409412D

 40 44  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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  2  7  1  0  0  0  0
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  6  9  1  0  0  0  0
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M  END
>  <Mol_ID> (146)
5220

>  <Formula> (146)
C29H39ClN7O2P

>  <MolWeight> (146)
584.092421

>  <Cat> (146)
S8229

>  <Name> (146)
Brigatinib (AP26113)

>  <Synonyms> (146)
N/A

>  <Target> (146)
ALK,EGFR,FLT3,IGF-1R,ROS1

>  <Form> (146)
Free Base

>  <CAS> (146)
1197953-54-0

>  <URL> (146)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/04082409412D

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 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (147)
5221

>  <Formula> (147)
C19H18N4O3

>  <MolWeight> (147)
350.37122

>  <Cat> (147)
S8684

>  <Name> (147)
Selective JAK3 inhibitor 1

>  <Synonyms> (147)
N/A

>  <Target> (147)
JAK

>  <Form> (147)
Free Base

>  <CAS> (147)
1443235-95-7

>  <URL> (147)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/04082409412D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  1  8  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
  3 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (148)
6469

>  <Formula> (148)
C14H14ClFN8

>  <MolWeight> (148)
348.7659632

>  <Cat> (148)
S2162

>  <Name> (148)
AZD1480

>  <Synonyms> (148)
N/A

>  <Target> (148)
JAK

>  <Form> (148)
free base

>  <CAS> (148)
935666-88-9

>  <URL> (148)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/04082409412D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   13.2695    2.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3 17  2  0  0  0  0
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  5 17  1  0  0  0  0
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  6  7  1  0  0  0  0
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M  END
>  <Mol_ID> (149)
6484

>  <Formula> (149)
C13H13NO3S

>  <MolWeight> (149)
263.31222

>  <Cat> (149)
S6497

>  <Name> (149)
SMI-16a

>  <Synonyms> (149)
N/A

>  <Target> (149)
Pim

>  <Form> (149)
free base

>  <CAS> (149)
587852-28-6

>  <URL> (149)
http://www.selleck.cn/products/smi-16a.html

$$$$

csChFnd80/04082409412D

 21 22  0  0  0  0  0  0  0  0999 V2000
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   10.9309    2.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 10  1  0  0  0  0
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 10 15  1  0  0  0  0
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M  END
>  <Mol_ID> (150)
6494

>  <Formula> (150)
C16H12N2O3

>  <MolWeight> (150)
280.27808

>  <Cat> (150)
S6509

>  <Name> (150)
AG 494

>  <Synonyms> (150)
N/A

>  <Target> (150)
EGFR

>  <Form> (150)
free base

>  <CAS> (150)
133550-35-3

>  <URL> (150)
http://www.selleck.cn/products/ag-494.html

$$$$

csChFnd80/04082409412D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
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 11 12  2  0  0  0  0
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 18 19  1  0  0  0  0
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  1 22  1  0  0  0  0
M  END
>  <Mol_ID> (151)
6502

>  <Formula> (151)
C16H15N3O3

>  <MolWeight> (151)
297.3086

>  <Cat> (151)
S6520

>  <Name> (151)
WHI-P180

>  <Synonyms> (151)
N/A

>  <Target> (151)
c-RET,VEGFR

>  <Form> (151)
free base

>  <CAS> (151)
211555-08-7

>  <URL> (151)
http://www.selleck.cn/products/whi-p180.html

$$$$

csChFnd80/04082409412D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (152)
6503

>  <Formula> (152)
C16H15N3O2

>  <MolWeight> (152)
281.3092

>  <Cat> (152)
S6521

>  <Name> (152)
WHI-P258

>  <Synonyms> (152)
N/A

>  <Target> (152)
JAK

>  <Form> (152)
free base

>  <CAS> (152)
21561-09-1

>  <URL> (152)
http://www.selleck.cn/products/whi-p258.html

$$$$

csChFnd80/04082409412D

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6505

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C14H8Cl2N2

>  <MolWeight> (153)
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>  <Target> (153)
BCRP,EGFR

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free base

>  <CAS> (153)
136831-49-7

>  <URL> (153)
http://www.selleck.cn/products/rg14620.html

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csChFnd80/04082409412D

 26 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
  1  5  2  0  0  0  0
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 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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6506

>  <Formula> (154)
C23H24N2O

>  <MolWeight> (154)
344.44946

>  <Cat> (154)
S6524

>  <Name> (154)
NSC 42834

>  <Synonyms> (154)
JAK2 Inhibitor V, Z3

>  <Target> (154)
JAK

>  <Form> (154)
free base

>  <CAS> (154)
195371-52-9

>  <URL> (154)
http://www.selleck.cn/products/nsc-42834.html

$$$$

csChFnd80/04082409412D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
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  3  6  1  0  0  0  0
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  6 10  2  0  0  0  0
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  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
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 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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6507

>  <Formula> (155)
C19H18N2O3

>  <MolWeight> (155)
322.35782

>  <Cat> (155)
S6525

>  <Name> (155)
AG 555

>  <Synonyms> (155)
Tyrphostin B46

>  <Target> (155)
EGFR

>  <Form> (155)
free base

>  <CAS> (155)
133550-34-2

>  <URL> (155)
http://www.selleck.cn/products/ag555.html

$$$$

csChFnd80/04082409412D

 31 34  0  0  0  0  0  0  0  0999 V2000
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6515

>  <Formula> (156)
C20H14Cl2FN5O2S

>  <MolWeight> (156)
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>  <Cat> (156)
S6541

>  <Name> (156)
MTX-211

>  <Synonyms> (156)
N/A

>  <Target> (156)
EGFR,PI3K

>  <Form> (156)
free base

>  <CAS> (156)
1952236-05-3

>  <URL> (156)
http://www.selleck.cn/products/mtx-211.html

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csChFnd80/04082409412D

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>  <Name> (157)
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>  <Synonyms> (157)
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>  <Target> (157)
VEGFR

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>  <CAS> (157)
413599-62-9

>  <URL> (157)
http://www.selleck.cn/products/zd-4190.html

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csChFnd80/04082409412D

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N/A

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EGFR

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229476-53-3

>  <URL> (158)
http://www.selleck.cn/products/ebe-a22.html

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csChFnd80/04082409412D

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M  END
>  <Mol_ID> (159)
6580

>  <Formula> (159)
C16H14BrN3O2

>  <MolWeight> (159)
360.20526

>  <Cat> (159)
S6546

>  <Name> (159)
PD153035

>  <Synonyms> (159)
N/A

>  <Target> (159)
EGFR

>  <Form> (159)
Free Base

>  <CAS> (159)
153436-54-5

>  <URL> (159)
http://www.selleck.cn/products/pd153035.html

$$$$

csChFnd80/04082409412D

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>  <Mol_ID> (160)
6668

>  <Formula> (160)
C23H20N6O

>  <MolWeight> (160)
396.4445

>  <Cat> (160)
S8814

>  <Name> (160)
zipalertinib

>  <Synonyms> (160)
CLN-081, TPC-064,TAS6417

>  <Target> (160)
EGFR

>  <Form> (160)
Free Base

>  <CAS> (160)
1661854-97-2

>  <URL> (160)
http://www.selleck.cn/products/tas6417.html

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N/A

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Src

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>  <CAS> (161)
882663-88-9

>  <URL> (161)
https://www.selleckchem.com/products/amg-47a.html

$$$$

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2241300-51-4

>  <URL> (162)
http://www.selleckchem.com/products/as2863619.html

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N/A

>  <Target> (163)
Pim

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>  <CAS> (163)
1361951-15-6

>  <URL> (163)
http://www.selleckchem.com/products/tp-3654.html

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N/A

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STAT

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285986-31-4

>  <URL> (164)
http://www.selleckchem.com/products/stat-in-1.html

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>  <Form> (165)
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>  <CAS> (165)
186611-04-1

>  <URL> (165)
http://www.selleckchem.com/products/su-5214.html

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>  <Formula> (166)
C32H39N7O4

>  <MolWeight> (166)
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>  <Cat> (166)
S6813

>  <Name> (166)
Mobocertinib (TAK788)

>  <Synonyms> (166)
AP32788

>  <Target> (166)
EGFR,HER2

>  <Form> (166)
Free Base

>  <CAS> (166)
1847461-43-1

>  <URL> (166)
http://www.selleckchem.com/products/tak788.html

$$$$

csChFnd80/04082409412D

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>  <Mol_ID> (167)
6873

>  <Formula> (167)
C21H18F3N5O

>  <MolWeight> (167)
413.3957296

>  <Cat> (167)
S0360

>  <Name> (167)
EGFR Inhibitor

>  <Synonyms> (167)
EGFR-IN-12

>  <Target> (167)
EGFR,Microtubule Associated

>  <Form> (167)
Free Base

>  <CAS> (167)
879127-07-8

>  <URL> (167)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/04082409412D

 36 39  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (168)
6874

>  <Formula> (168)
C26H34N6O3S

>  <MolWeight> (168)
510.65156

>  <Cat> (168)
S0391

>  <Name> (168)
TG-89

>  <Synonyms> (168)
N/A

>  <Target> (168)
JAK

>  <Form> (168)
Free Base

>  <CAS> (168)
936091-56-4

>  <URL> (168)
http://www.selleckchem.com/products/tg-89.html

$$$$

csChFnd80/04082409412D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  3  9  1  0  0  0  0
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 16 17  1  0  0  0  0
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M  END
>  <Mol_ID> (169)
6889

>  <Formula> (169)
C18H11BrN2O2

>  <MolWeight> (169)
367.19614

>  <Cat> (169)
S1050

>  <Name> (169)
TCS PIM-1 1

>  <Synonyms> (169)
SC 204330

>  <Target> (169)
Pim

>  <Form> (169)
Free Base

>  <CAS> (169)
491871-58-0

>  <URL> (169)
http://www.selleckchem.com/products/tcs-pim-1-1.html

$$$$

csChFnd80/04082409412D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (170)
6900

>  <Formula> (170)
C18H14N2O3

>  <MolWeight> (170)
306.31536

>  <Cat> (170)
S6805

>  <Name> (170)
Tyrphostin AG-528

>  <Synonyms> (170)
Tyrphostin B66, AG 528

>  <Target> (170)
EGFR,HER2

>  <Form> (170)
Free Base

>  <CAS> (170)
133550-49-9

>  <URL> (170)
http://www.selleckchem.com/products/tyrphostin-ag-528.html

$$$$

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   11.8903    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0903    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3903    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0878    0.0042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.4854    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4854    3.8249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.4854    1.0249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.8854    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1927    6.0580    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
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
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 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 17 30  2  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Mol_ID> (171)
6978

>  <Formula> (171)
C21H13ClF3N3O2

>  <MolWeight> (171)
431.7950296

>  <Cat> (171)
S0445

>  <Name> (171)
SC-43

>  <Synonyms> (171)
N/A

>  <Target> (171)
Apoptosis related,phosphatase,STAT

>  <Form> (171)
free base

>  <CAS> (171)
1400989-25-4

>  <URL> (171)
http://www.selleckchem.com/products/sc-43.html

$$$$

csChFnd80/04082409412D

 35 37  0  0  0  0  0  0  0  0999 V2000
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  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
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 26 30  1  0  0  0  0
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M  END
>  <Mol_ID> (172)
6997

>  <Formula> (172)
C28H29NO6

>  <MolWeight> (172)
475.53296

>  <Cat> (172)
S0818

>  <Name> (172)
STAT3-IN-1

>  <Synonyms> (172)
N/A

>  <Target> (172)
STAT

>  <Form> (172)
free base

>  <CAS> (172)
2059952-75-7

>  <URL> (172)
http://www.selleckchem.com/products/stat3-in-1.html

$$$$

csChFnd80/04082409412D

 40 43  0  0  0  0  0  0  0  0999 V2000
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    4.8455    4.1523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.1523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  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
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 13 14  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
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 14 20  2  0  0  0  0
 17 21  1  0  0  0  0
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 26 28  1  0  0  0  0
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  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
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 16 40  1  6  0  0  0
M  END
>  <Mol_ID> (173)
7003

>  <Formula> (173)
C30H48O7

>  <MolWeight> (173)
520.69792

>  <Cat> (173)
S0949

>  <Name> (173)
Cucurbitacin IIb

>  <Synonyms> (173)
CuIIb, Dihydrocucurbitacin F, 25-deacetyl hemslecin A

>  <Target> (173)
Apoptosis related,ERK,I¦ÊB/IKK,JNK,NF-¦ÊB,STAT,TNF-alpha

>  <Form> (173)
free base

>  <CAS> (173)
50298-90-3

>  <URL> (173)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/04082409412D

 42 46  0  0  0  0  0  0  0  0999 V2000
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 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
 28 31  1  0  0  0  0
  7 32  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
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  1  0  0  0
 33 32  1  1  0  0  0
 35 40  1  6  0  0  0
 37 41  1  6  0  0  0
 38 42  1  6  0  0  0
M  END
>  <Mol_ID> (174)
7054

>  <Formula> (174)
C27H30O15

>  <MolWeight> (174)
594.5181

>  <Cat> (174)
S3267

>  <Name> (174)
Kaempferol-3-O-rutinoside

>  <Synonyms> (174)
Nicotiflorin, Nikotoflorin, Kaempferol 3-O-¦Â-rutinoside

>  <Target> (174)
Apoptosis related,Bcl-2,Caspase,JAK,STAT

>  <Form> (174)
free base

>  <CAS> (174)
17650-84-9

>  <URL> (174)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/04082409412D

 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> (175)
7074

>  <Formula> (175)
C17H24O2

>  <MolWeight> (175)
260.37126

>  <Cat> (175)
S3292

>  <Name> (175)
Falcarindiol

>  <Synonyms> (175)
FAD, (3R,8S)-Falcarindiol, FaDOH

>  <Target> (175)
ERK,Interleukins,JNK,NOS,STAT,TNF-alpha

>  <Form> (175)
free base

>  <CAS> (175)
225110-25-8

>  <URL> (175)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/04082409412D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8854    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8754    4.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3878    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 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
 17 12  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (176)
7078

>  <Formula> (176)
C16H12O6

>  <MolWeight> (176)
300.26288

>  <Cat> (176)
S3296

>  <Name> (176)
Hispidulin

>  <Synonyms> (176)
Dinatin

>  <Target> (176)
Akt,AMPK,Apoptosis related,Mitochondrial Metabolism,PI3K,Pim

>  <Form> (176)
free base

>  <CAS> (176)
1447-88-7

>  <URL> (176)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/04082409412D

 46 48  0  0  0  0  0  0  0  0999 V2000
    9.9278    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1352   11.3252    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2228   11.8376    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6228    9.4127    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7103    8.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531    3.6610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5278    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9278    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9278    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8503    8.5486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1106    4.0189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2226    7.8656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2685    8.5350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7218    5.7329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1756    5.7102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    5.7449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9290    7.8039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    7.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8702    6.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8092    5.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5970    5.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    8.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7429    4.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0712    7.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3829    6.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0712    6.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3034    7.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1840    5.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8503    9.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4990    6.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6812    2.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2947    5.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4981    7.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6775    7.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6179    6.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2226    6.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9290    6.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3829    7.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1599    8.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7103    9.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    4.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9227   10.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6282    3.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6282    2.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3278    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  2  0  0  0  0
  1 46  1  0  0  0  0
  2 43  1  0  0  0  0
  3 43  1  0  0  0  0
  4 43  1  0  0  0  0
  5 33  1  0  0  0  0
  5 41  1  0  0  0  0
  6 42  2  0  0  0  0
 10 18  1  0  0  0  0
 10 24  1  0  0  0  0
 10 29  1  0  0  0  0
 11 20  1  0  0  0  0
 11 23  1  0  0  0  0
 11 31  1  0  0  0  0
 12 22  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 24  2  0  0  0  0
 13 33  1  0  0  0  0
 14 30  1  0  0  0  0
 14 38  1  0  0  0  0
 15 25  2  0  0  0  0
 15 38  1  0  0  0  0
 16 26  1  0  0  0  0
 16 42  1  0  0  0  0
 17 38  2  0  0  0  0
 17 40  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 27  2  0  0  0  0
 20 28  2  0  0  0  0
 21 23  2  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 39  1  0  0  0  0
 26 32  2  0  0  0  0
 27 34  1  0  0  0  0
 28 35  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  2  0  0  0  0
 34 35  2  0  0  0  0
 39 40  2  0  0  0  0
 41 43  1  0  0  0  0
 42 44  1  0  0  0  0
 44 45  2  0  0  0  0
M  END
>  <Mol_ID> (177)
7113

>  <Formula> (177)
C29H35F3N8O5S

>  <MolWeight> (177)
664.6990096

>  <Cat> (177)
S6868

>  <Name> (177)
Alflutinib (AST2818) mesylate

>  <Synonyms> (177)
Furmonertinib mesylate

>  <Target> (177)
EGFR,P450 (e.g. CYP17)

>  <Form> (177)
mesylate

>  <CAS> (177)
2130958-55-1

>  <URL> (177)
https://www.selleckchem.com/products/alflutinib-ast2818-mesylate.html

$$$$

csChFnd80/04082409412D

 27 30  0  0  0  0  0  0  0  0999 V2000
    5.8638    1.6944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4289    6.7052    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8642    0.2815    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280    3.8225    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4636    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2824    1.6789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6775    5.1989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3074    4.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4980    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5095    3.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0940    3.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0721    2.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3074    5.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7063    1.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520    2.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1630    6.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9831    2.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4636    1.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5869    8.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2270    2.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9869    8.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9271    1.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2356    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8857    4.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9806    1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6473    4.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 13  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 23  1  0  0  0  0
  4 20  1  0  0  0  0
  4 27  1  0  0  0  0
  5 18  2  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 24  3  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 22  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 25  2  0  0  0  0
 22 23  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (178)
7128

>  <Formula> (178)
C20H12N2OS4

>  <MolWeight> (178)
424.58208

>  <Cat> (178)
S6898

>  <Name> (178)
RCM-1

>  <Synonyms> (178)
Robert Costa Memorial drug-1

>  <Target> (178)
FOXM1,Interleukins,STAT,Wnt/beta-catenin

>  <Form> (178)
free base

>  <CAS> (178)
339163-65-4

>  <URL> (178)
http://www.selleckchem.com/products/rcm-1.html

$$$$

csChFnd80/04082409412D

 58 63  0  0  0  0  0  0  0  0999 V2000
    9.6952    7.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    6.2953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9070    5.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 20  1  0  0  0  0
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>  <Mol_ID> (179)
7233

>  <Formula> (179)
C42H70O12

>  <MolWeight> (179)
766.998

>  <Cat> (179)
S9210

>  <Name> (179)
Ginsenoside Rk1

>  <Synonyms> (179)
N/A

>  <Target> (179)
Others

>  <Form> (179)
Free Base

>  <CAS> (179)
494753-69-4

>  <URL> (179)
https://www.selleckchem.com/products/ginsenoside-rk1.html

$$$$

csChFnd80/04082409412D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  7  8  1  0  0  0  0
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M  END
>  <Mol_ID> (180)
7283

>  <Formula> (180)
C16H14IN3O2

>  <MolWeight> (180)
407.20573

>  <Cat> (180)
S0151

>  <Name> (180)
AG-1557

>  <Synonyms> (180)
N/A

>  <Target> (180)
EGFR

>  <Form> (180)
Free Base

>  <CAS> (180)
189290-58-2

>  <URL> (180)
https://www.selleckchem.com/products/ag-1557.html

$$$$

csChFnd80/04082409412D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (181)
7302

>  <Formula> (181)
C17H15NO2

>  <MolWeight> (181)
265.3065

>  <Cat> (181)
S0290

>  <Name> (181)
SU5204

>  <Synonyms> (181)
N/A

>  <Target> (181)
HER2,VEGFR

>  <Form> (181)
Free Base

>  <CAS> (181)
186611-11-0

>  <URL> (181)
https://www.selleckchem.com/products/su5204.html

$$$$

csChFnd80/04082409412D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (182)
7312

>  <Formula> (182)
C17H14Cl2N6O

>  <MolWeight> (182)
389.23866

>  <Cat> (182)
S0384

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>  <Synonyms> (182)
CS-2667

>  <Target> (182)
JAK

>  <Form> (182)
Free Base

>  <CAS> (182)
1258296-60-4

>  <URL> (182)
https://www.selleckchem.com/products/ro495.html

$$$$

csChFnd80/04082409412D

186188  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (183)
7528

>  <Formula> (183)
C119H206N32O35

>  <MolWeight> (183)
2645.10234

>  <Cat> (183)
S9664

>  <Name> (183)
Colivelin

>  <Synonyms> (183)
CLN

>  <Target> (183)
Beta Amyloid,STAT

>  <Form> (183)
Free Base

>  <CAS> (183)
867021-83-8

>  <URL> (183)
https://www.selleckchem.com/products/colivelin.html

$$$$

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M  END
>  <Mol_ID> (184)
7562

>  <Formula> (184)
C29H26FN5O3S

>  <MolWeight> (184)
543.6118432

>  <Cat> (184)
S8920

>  <Name> (184)
(Rac)-JBJ-04-125-02

>  <Synonyms> (184)
JBJ-04-125-02 racemate

>  <Target> (184)
EGFR

>  <Form> (184)
Free Base

>  <CAS> (184)
2140807-05-0

>  <URL> (184)
http://www.selleckchem.com/products/jbj-04-125-02.html

$$$$

csChFnd80/04082409412D

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M  END
>  <Mol_ID> (185)
7579

>  <Formula> (185)
C29H29ClN6O4

>  <MolWeight> (185)
561.03136

>  <Cat> (185)
S9786

>  <Name> (185)
BDTX-189

>  <Synonyms> (185)
N/A

>  <Target> (185)
EGFR,HER2,RIP kinase

>  <Form> (185)
Free Base

>  <CAS> (185)
2414572-47-5

>  <URL> (185)
http://www.selleckchem.com/products/bdtx-189.html

$$$$

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    9.7182    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9947    7.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    3.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    6.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9183    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1308    4.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1308    1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3433    3.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    5.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3432    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    6.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  4 35  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 29  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 21  1  0  0  0  0
  9 29  1  0  0  0  0
 10 24  1  0  0  0  0
 10 27  2  0  0  0  0
 11 26  1  0  0  0  0
 11 28  1  0  0  0  0
 12 26  2  0  0  0  0
 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 34  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 35  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
M  END
>  <Mol_ID> (186)
7585

>  <Formula> (186)
C24H27Cl3FN5O3

>  <MolWeight> (186)
558.8602832

>  <Cat> (186)
S0711

>  <Name> (186)
Canertinib dihydrochloride

>  <Synonyms> (186)
CI-1033 dihydrochloride, PD-183805 dihydrochloride

>  <Target> (186)
EGFR

>  <Form> (186)
Dihydrochloride

>  <CAS> (186)
289499-45-2

>  <URL> (186)
http://www.selleckchem.com/products/canertinib-dihydrochloride.html

$$$$

csChFnd80/04082409412D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2126    4.1957    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    4.1934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    4.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6842    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4758    4.1982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8421    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1011    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8011    0.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5011    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4758    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    2.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 11  2  0  0  0  0
  4 17  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 12  2  0  0  0  0
  6 16  1  0  0  0  0
  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  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
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (187)
7686

>  <Formula> (187)
C16H13Cl2N3O2

>  <MolWeight> (187)
350.19932

>  <Cat> (187)
S0374

>  <Name> (187)
GDC046

>  <Synonyms> (187)
N/A

>  <Target> (187)
JAK

>  <Form> (187)
Free Base

>  <CAS> (187)
1258292-64-6

>  <URL> (187)
http://www.selleckchem.com/products/gdc046.html

$$$$

csChFnd80/04082409412D

 26 27  0  0  0  0  0  0  0  0999 V2000
   12.1435    6.2852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2028    0.0078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2036    4.1751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9857    6.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    4.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3540    4.1868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2776    2.0977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0656    2.7975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5622    4.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7793    4.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9857    4.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  2  0  0  0  0
  2 22  1  0  0  0  0
  3 24  1  0  0  0  0
  4 24  2  0  0  0  0
  5 26  1  0  0  0  0
  6 26  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 24  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 26  1  0  0  0  0
 22 25  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (188)
7779

>  <Formula> (188)
C17H15N3O6

>  <MolWeight> (188)
357.3175

>  <Cat> (188)
S4842

>  <Name> (188)
Balsalazide

>  <Synonyms> (188)
Colazal, Giazo

>  <Target> (188)
Immunology & Inflammation related,Interleukins,STAT

>  <Form> (188)
Free Base

>  <CAS> (188)
80573-04-2

>  <URL> (188)
http://www.selleckchem.com/products/balsalazide.html

$$$$

csChFnd80/04082409412D

 19 22  0  0  0  0  0  0  0  0999 V2000
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    6.3490    3.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7839    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9668    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1087    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1087    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3211    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3211    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5336    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5336    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7839    2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 13  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (189)
7790

>  <Formula> (189)
C14H13N3OS

>  <MolWeight> (189)
271.33752

>  <Cat> (189)
S0981

>  <Name> (189)
BD750

>  <Synonyms> (189)
N/A

>  <Target> (189)
JAK,STAT

>  <Form> (189)
Free Base

>  <CAS> (189)
892686-59-8

>  <URL> (189)
http://www.selleckchem.com/products/bd750.html

$$$$

csChFnd80/04082409412D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.4186    5.3989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720    3.9869    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1282    3.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1282    1.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107    0.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6033    1.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0370    2.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4165    2.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7131    3.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4891    4.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7905    5.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8066    1.2566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264    3.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5597    3.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5419    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0595    4.6869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  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 11  1  0  0  0  0
  1 11  1  0  0  0  0
 13 14  2  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
 12  4  1  0  0  0  0
  2 15  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
  6 17  1  0  0  0  0
 13 18  1  0  0  0  0
  2 19  1  1  0  0  0
M  END
>  <Mol_ID> (190)
7837

>  <Formula> (190)
C15H16O3

>  <MolWeight> (190)
244.28574

>  <Cat> (190)
E0011

>  <Name> (190)
Linderalactone

>  <Synonyms> (190)
N/A

>  <Target> (190)
Bcl-2,JAK,STAT

>  <Form> (190)
Free Base

>  <CAS> (190)
728-61-0

>  <URL> (190)
http://www.selleckchem.com/products/linderalactone.html

$$$$

csChFnd80/04082409412D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.4200    7.4873    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7221    6.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179    8.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7449    6.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7489    2.6098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280    6.7899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573    5.3947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3262    2.6043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9038    2.6029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1104    4.7038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9530    4.7096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7489    1.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0510    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4517    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6308    5.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8412    7.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8447    4.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0550    6.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5394    3.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    8.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5354    4.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2684    3.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4788    5.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6950    3.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1133    3.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4824    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6927    4.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3225    5.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7449    5.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1 21  1  0  0  0  0
  4 31  2  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 20  1  0  0  0  0
  8 19  2  0  0  0  0
  8 27  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 27  2  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 30  2  0  0  0  0
 22 31  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (191)
7890

>  <Formula> (191)
C20H27N7O3S

>  <MolWeight> (191)
445.53848

>  <Cat> (191)
S3566

>  <Name> (191)
Cerdulatinib (PRT062070)

>  <Synonyms> (191)
PRT2070

>  <Target> (191)
JAK,Syk

>  <Form> (191)
Free Base

>  <CAS> (191)
1198300-79-6

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

$$$$
1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
csChFnd80/04082409412D

 16 18  0  0  0  0  0  0  0  0999 V2000
    9.5988    2.4581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    3.7827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5252    2.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5252    5.0287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898    3.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2050    1.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898    4.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1343    1.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3494    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8141    0.4760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    3.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    2.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (192)
9808

>  <Formula> (192)
C11H9N5

>  <MolWeight> (192)
211.22266

>  <Cat> (192)
E2980

>  <Name> (192)
4-AMino-1-phenylpyrazolo[3,4-d]pyriMidine

>  <Synonyms> (192)
PP 3

>  <Target> (192)
EGFR

>  <Form> (192)
Free base

>  <CAS> (192)
5334-30-5

>  <URL> (192)
https://www.selleckchem.com/products/4-amino-1-phenylpyrazolo-3-4-d-pyrimidine.html

$$$$
N-[(1R,2R)-2-Methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo[1(2H),2â²-bipyridin]..
csChFnd80/04082409412D

 34 38  0  0  1  0  0  0  0  0999 V2000
   13.9437    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4499    6.8807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9131    7.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    5.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7627    8.5686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9070    9.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    6.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4677    5.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    5.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4677    2.6041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3729    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3357    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3357    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9258    8.3453    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.2980    9.0444    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.2266    9.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5988   10.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  6 17  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  9 24  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19  2  1  6  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20  7  1  1  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (193)
9889

>  <Formula> (193)
C23H24N8O3

>  <MolWeight> (193)
460.48846

>  <Cat> (193)
E1526

>  <Name> (193)
Zasocitinib

>  <Synonyms> (193)
NDI-034858; TAK-279

>  <Target> (193)
JAK

>  <Form> (193)
Free base

>  <CAS> (193)
2272904-53-5

>  <URL> (193)
https://www.selleckchem.com/products/zasocitinib.html

$$$$
(2E)-N-[4-[(3-Chloro-2-fluorophenyl)amino]-7-[2-[(1R,5S)-3-methyl-3-azabicycl...
csChFnd80/04082409412D

 41 46  0  0  0  0  0  0  0  0999 V2000
   13.3370    8.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0034    9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2865    9.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    7.7001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348   11.5502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675   10.0101    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.5502    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.6707    7.7001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.5759    6.4542    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0444    6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5759    8.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0406    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0406    8.4701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696   10.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696   11.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023   10.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359   12.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023   11.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359   13.8602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686   12.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023   14.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686   13.8602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011   12.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675   11.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011   13.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338   12.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675   14.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338   13.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8961    4.9478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2 19  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 35  1  0  0  0  0
 10 26  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 32  1  0  0  0  0
 13  1  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 41  1  6  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (194)
9903

>  <Formula> (194)
C30H30ClFN6O2

>  <MolWeight> (194)
561.0496032

>  <Cat> (194)
E1478

>  <Name> (194)
BDTX-1535

>  <Synonyms> (194)
EGFR-IN-76

>  <Target> (194)
EGFR

>  <Form> (194)
Free base

>  <CAS> (194)
2607829-38-7

>  <URL> (194)
https://www.selleckchem.com/products/bdtx-1535.html

$$$$
