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csChFnd80/05201910062D

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>  <Mol_ID> (4)
379

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Orlistat (Alli, Xenical)

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Tetrahydrolipstatin

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Lipase

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96829-58-2

>  <URL> (4)
http://www.selleckchem.com/products/Orlistat(Alli).html

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PCI-32765.cdx
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Src

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936563-96-1

>  <URL> (5)
http://www.selleckchem.com/products/pci-32765.html

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Dimethyl Fumarate.cdx
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C6H8O4

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144.12532

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S2586 

>  <Name> (6)
Dimethyl Fumarate

>  <Synonyms> (6)
N/A

>  <Target> (6)
Others

>  <Form> (6)
Free Base

>  <CAS> (6)
624-49-7

>  <URL> (6)
http://www.selleckchem.com/products/dimethyl-Fumarate.html

$$$$
PF3845.cdx
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823

>  <Formula> (7)
C24H23F3N4O2

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456.4602296

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S2666

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PF-3845

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N/A

>  <Target> (7)
FAAH

>  <Form> (7)
Free Base

>  <CAS> (7)
1196109-52-0

>  <URL> (7)
http://www.selleckchem.com/products/pf-3845.html

$$$$
PF299804.cdx
csChFnd80/05201910062D

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854

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C24H25ClFN5O2

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Dacomitinib (PF299804, PF-00299804)

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N/A

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EGFR

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Free Base

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1110813-31-4

>  <URL> (8)
http://www.selleckchem.com/products/pf299804.html

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AST-1306.cdx
csChFnd80/05201910062D

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EGFR

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Mesylate

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1050500-29-2

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http://www.selleckchem.com/products/ast-1306.html

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PMSF.cdx
csChFnd80/05201910062D

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N/A 

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Serine Protease,Cysteine Protease

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329-98-6

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Triflusal.cdx
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COX

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Free Base

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322-79-2

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

$$$$
Tideglusib.cdx
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GSK-3

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Free Base

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865854-05-3 

>  <URL> (12)
http://www.selleckchem.com/products/tideglusib.html

$$$$
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 39 40  2  0  0  0  0
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 30 41  1  0  0  0  0
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M  END
>  <Mol_ID> (13)
1073

>  <Formula> (13)
C40H57N5O7

>  <MolWeight> (13)
719.90988

>  <Cat> (13)
S2853

>  <Name> (13)
Carfilzomib (PR-171)

>  <Synonyms> (13)
N/A 

>  <Target> (13)
Proteasome

>  <Form> (13)
Free Base

>  <CAS> (13)
868540-17-4

>  <URL> (13)
http://www.selleckchem.com/products/carfilzomib-pr-171.html

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/05201910062D

 22 22  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
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    3.6331    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2620    2.0927    0.0000 N   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
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.4878    0.0000 C   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
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    8.4702    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764    6.9660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 14 15  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (14)
1224

>  <Formula> (14)
C18H23Cl2NO

>  <MolWeight> (14)
340.28732

>  <Cat> (14)
S2499

>  <Name> (14)
Phenoxybenzamine HCl

>  <Synonyms> (14)
N/A

>  <Target> (14)
Androgen Receptor

>  <Form> (14)
HCl

>  <CAS> (14)
63-92-3

>  <URL> (14)
http://www.selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

$$$$
Sulbactam sodium.cdx
csChFnd80/05201910062D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.9865    3.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865    1.7849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3865    3.1849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180    1.3523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5409    2.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180    3.6175    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7533    3.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7533    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865    0.3849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3556    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0180    4.8300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    4.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    4.2451    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.1728   10.6403    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.3469    5.9551    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  1  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  1  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  3 11  1  1  0  0  0
  5 12  2  0  0  0  0
  5 13  2  0  0  0  0
  7 14  1  6  0  0  0
  7 15  1  1  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (15)
1228

>  <Formula> (15)
C8H10NNaO5S

>  <MolWeight> (15)
255.22347

>  <Cat> (15)
S2551

>  <Name> (15)
Sulbactam sodium (Unasyn)

>  <Synonyms> (15)
N/A

>  <Target> (15)
Antifection

>  <Form> (15)
Sodium  salt

>  <CAS> (15)
69388-84-7

>  <URL> (15)
http://www.selleckchem.com/products/sulbactam-sodium-unasyn.html

$$$$
aspirin.cdx
csChFnd80/05201910062D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.9097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.9097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (16)
1236

>  <Formula> (16)
C9H8O4

>  <MolWeight> (16)
180.15742

>  <Cat> (16)
S3017

>  <Name> (16)
Aspirin (Acetylsalicylic acid)

>  <Synonyms> (16)
N/A

>  <Target> (16)
COX

>  <Form> (16)
Free Base

>  <CAS> (16)
50-78-2

>  <URL> (16)
http://www.selleckchem.com/products/aspirin-acetylsalicylic-acid.html

$$$$
JNK-IN-8.cdx
csChFnd80/05201910062D

 38 41  0  0  0  0  0  0  0  0999 V2000
   10.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8000    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1000    6.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8497    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  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
 23 28  2  0  0  0  0
 19 24  1  0  0  0  0
 16 17  1  0  0  0  0
 13 16  1  0  0  0  0
 12 29  1  0  0  0  0
  9 10  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 31 35  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 34 36  1  0  0  0  0
 30 31  1  0  0  0  0
  4 30  1  0  0  0  0
M  END
>  <Mol_ID> (17)
1280

>  <Formula> (17)
C29H29N7O2

>  <MolWeight> (17)
507.58626

>  <Cat> (17)
S4901

>  <Name> (17)
JNK-IN-8

>  <Synonyms> (17)
N/A

>  <Target> (17)
Free Base

>  <Form> (17)
Free Base

>  <CAS> (17)
1410880-22-6

>  <URL> (17)
http://www.selleckchem.com/products/jnk-in-8.html

$$$$
S4246.cdx
csChFnd80/05201910062D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.5079    5.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2853    4.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2649    3.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670    2.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6895    2.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100    4.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9325    5.0752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3323    5.0548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6501    6.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5344    4.3371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    2.3333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
  8 10  1  1  0  0  0
A   12
relative stereochemistry
M  END
>  <Mol_ID> (18)
1451

>  <Formula> (18)
C9H12ClNR

>  <MolWeight> (18)
169.65128

>  <Cat> (18)
S4246

>  <Name> (18)
Tranylcypromine (2-PCPA) HCl

>  <Synonyms> (18)
N/A

>  <Target> (18)
MAO

>  <Form> (18)
Hydrochloride

>  <CAS> (18)
4548-34-9

>  <URL> (18)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/05201910062D

 34 37  0  0  0  0  0  0  0  0999 V2000
   11.9000    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000    8.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    4.6406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    5.8531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1000    8.2779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8000    9.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8000    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.0033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    4.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    3.4282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0710    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0306    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    2.2157    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9923    2.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2834    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.6406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6406    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.2157    0.0000 Cl  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
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  4  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 10 19  2  0  0  0  0
 14 19  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
 21 25  1  0  0  0  0
 23 20  1  1  0  0  0
 17 20  1  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 32  1  0  0  0  0
 27 32  2  0  0  0  0
 30 33  1  0  0  0  0
 29 34  1  0  0  0  0
 26 27  1  0  0  0  0
 13 26  1  0  0  0  0
  6 16  1  0  0  0  0
M  END
>  <Mol_ID> (19)
1528

>  <Formula> (19)
C24H25ClFN5O3

>  <MolWeight> (19)
485.9384032

>  <Cat> (19)
S1011

>  <Name> (19)
Afatinib (BIBW2992)

>  <Synonyms> (19)
N/A

>  <Target> (19)
EGFR

>  <Form> (19)
Free Base

>  <CAS> (19)
439081-18-2

>  <URL> (19)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
S4586 4-Chloro-DL-phenylalanine.cdx
csChFnd80/05201910062D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0591    2.1227    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2715    2.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467    2.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591    0.7227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4840    2.1227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    4.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6342    2.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181    2.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6454    0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2051    2.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  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  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (20)
1622

>  <Formula> (20)
C9H10ClNO2

>  <MolWeight> (20)
199.6342

>  <Cat> (20)
S4586

>  <Name> (20)
4-Chloro-DL-phenylalanine

>  <Synonyms> (20)
Fenclonine, PCPA, CP-10188

>  <Target> (20)
Hydroxylase

>  <Form> (20)
Free Base

>  <CAS> (20)
7424-00-2

>  <URL> (20)
http://www.selleckchem.com/products/4-chloro-dl-phenylalanine.html

$$$$
S4610 Mebendazole.cdx
csChFnd80/05201910062D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2453    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    0.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5933    2.5145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5754    0.2465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0401    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8716    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4104    1.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8104    1.3697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    4.2650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5093    2.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045    2.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9104    2.5803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8098    3.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    0.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6101    3.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (21)
1644

>  <Formula> (21)
C16H13N3O3

>  <MolWeight> (21)
295.29272

>  <Cat> (21)
S4610

>  <Name> (21)
Mebendazole

>  <Synonyms> (21)
Vermox, Telmin, Pantelmin, Mebenvet

>  <Target> (21)
Antifection

>  <Form> (21)
Free Base

>  <CAS> (21)
31431-39-7

>  <URL> (21)
http://www.selleckchem.com/products/mebendazole.html

$$$$
Pantoprazole.cdx
csChFnd80/05201910062D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3810    1.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2039    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3810    3.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.8182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8182    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.7255    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    2.4207    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   10.2966    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7966    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7966    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6991    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4942    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8942    3.6331    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
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 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
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (22)
1714

>  <Formula> (22)
C16H15F2N3O4S

>  <MolWeight> (22)
383.3698064

>  <Cat> (22)
S2105

>  <Name> (22)
Pantoprazole (Protonix)

>  <Synonyms> (22)
N/A

>  <Target> (22)
Proton Pump

>  <Form> (22)
Free Base

>  <CAS> (22)
102625-70-7

>  <URL> (22)
http://www.selleckchem.com/products/pantoprazole-protonix.html

$$$$
S3692 N-Ethylmaleimide.cdx
csChFnd80/05201910062D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4560    2.0987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3325    2.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5871    2.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4560    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7616    4.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690    4.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9158    2.4734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6662    0.0000    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
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (23)
1755

>  <Formula> (23)
C6H7NO2

>  <MolWeight> (23)
125.12528

>  <Cat> (23)
S3692

>  <Name> (23)
N-Ethylmaleimide (NEM)

>  <Synonyms> (23)
N/A

>  <Target> (23)
cysteine peptidases

>  <Form> (23)
free base

>  <CAS> (23)
128-53-0

>  <URL> (23)
http://www.selleckchem.com/products/n-ethylmaleimide-nem.html

$$$$
S3732 Avibactam sodium.cdx
csChFnd80/05201910062D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.6123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    3.3123    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.8498    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6374    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2120    5.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    1.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4044    2.5401    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    3.5301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3944    1.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3944    3.5301    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9612    3.5679    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.5498    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
  1  2  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
  1  6  1  1  0  0  0
  7  6  1  0  0  0  0
  6  8  2  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 10  1  0  0  0  0
  3 18  1  1  0  0  0
  2 19  1  0  0  0  0
 19  3  1  0  0  0  0
M  END
>  <Mol_ID> (24)
1783

>  <Formula> (24)
C7H10N3NaO6S

>  <MolWeight> (24)
287.22557

>  <Cat> (24)
S3732

>  <Name> (24)
Avibactam sodium

>  <Synonyms> (24)
AVE-1330A, NXL104

>  <Target> (24)
 ¦Â-lactamase

>  <Form> (24)
sodium salt

>  <CAS> (24)
1192491-61-4

>  <URL> (24)
http://www.selleckchem.com/products/avibactam-sodium.html

$$$$
S3678 PTP Inhibitor II.cdx
csChFnd80/05201910062D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.9000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (25)
1872

>  <Formula> (25)
C9H9BrO2

>  <MolWeight> (25)
229.07056

>  <Cat> (25)
S3678

>  <Name> (25)
PTP Inhibitor II

>  <Synonyms> (25)
NSC 129010, 4-(Bromoacetyl)anisole

>  <Target> (25)
PTP

>  <Form> (25)
free base

>  <CAS> (25)
2632-13-5

>  <URL> (25)
http://www.selleckchem.com/products/ptp-inhibitor-2.html

$$$$
S4856 Iproniazid.cdx
csChFnd80/05201910062D

 13 13  0  0  0  0  0  0  0  0999 V2000
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    1.2155    4.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2155    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8045    4.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9998    4.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8045    6.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (26)
2147

>  <Formula> (26)
C9H13N3O

>  <MolWeight> (26)
179.21902

>  <Cat> (26)
S4856

>  <Name> (26)
Iproniazid

>  <Synonyms> (26)
Marsilid, Iprazid

>  <Target> (26)
MAO

>  <Form> (26)
free base

>  <CAS> (26)
54-92-2

>  <URL> (26)
http://selleckchem.com/products/Iproniazid.html

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/05201910062D

  7  4  0  0  0  0  0  0  0  0999 V2000
    3.8538    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
M  END
>  <Mol_ID> (27)
2294

>  <Formula> (27)
FNa2O3P

>  <MolWeight> (27)
143.9499042

>  <Cat> (27)
S4013

>  <Name> (27)
Sodium Monofluorophosphate

>  <Synonyms> (27)
Sodium Fluorophosphate

>  <Target> (27)
Others
phosphatase

>  <Form> (27)
Disodium salt

>  <CAS> (27)
10163-15-2

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

$$$$
Zebularine.cdx
csChFnd80/05201910062D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    3.7772    6.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (28)
2321

>  <Formula> (28)
C9H12N2O5

>  <MolWeight> (28)
228.20198

>  <Cat> (28)
S7113

>  <Name> (28)
Zebularine

>  <Synonyms> (28)
N/A

>  <Target> (28)
DNA Methyltransferase

>  <Form> (28)
Free Base

>  <CAS> (28)
654065

>  <URL> (28)
https://www.selleckchem.com/products/zebularine.html

$$$$
GSK3787.cdx
csChFnd80/05201910062D

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.4618    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (29)
2322

>  <Formula> (29)
C15H12ClF3N2O3S

>  <MolWeight> (29)
392.7805896

>  <Cat> (29)
S8025

>  <Name> (29)
GSK3787

>  <Synonyms> (29)
N/A

>  <Target> (29)
PPAR

>  <Form> (29)
Free Base

>  <CAS> (29)
188591-46-0

>  <URL> (29)
https://www.selleckchem.com/products/gsk3787.html

$$$$
PD168393.cdx
csChFnd80/05201910062D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (30)
2447

>  <Formula> (30)
C17H13BrN4O

>  <MolWeight> (30)
369.21532

>  <Cat> (30)
S7039

>  <Name> (30)
PD168393

>  <Synonyms> (30)
N/A

>  <Target> (30)
EGFR

>  <Form> (30)
Free Base

>  <CAS> (30)
194423-15-9

>  <URL> (30)
https://www.selleckchem.com/products/pd168393.html

$$$$
CNX-2006.cdx
csChFnd80/05201910062D

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>  <Mol_ID> (35)
2661

>  <Formula> (35)
C17H30N2O5

>  <MolWeight> (35)
342.4305

>  <Cat> (35)
S7393 

>  <Name> (35)
E-64d(Aloxistatin,Loxistatin£©

>  <Synonyms> (35)
E-64d

>  <Target> (35)
Cysteine Protease

>  <Form> (35)
Free Base

>  <CAS> (35)
88321-09-9

>  <URL> (35)
http://www.selleckchem.com/products/Aloxistatin.html

$$$$
E-64c (Loxistatin Acid).cdx
csChFnd80/05201910062D

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>  <Mol_ID> (36)
2693

>  <Formula> (36)
C15H26N2O5

>  <MolWeight> (36)
314.37734

>  <Cat> (36)
S7392

>  <Name> (36)
Loxistatin Acid (E-64C)

>  <Synonyms> (36)
NSC 694279, EP 475

>  <Target> (36)
Cysteine Protease

>  <Form> (36)
Free Base

>  <CAS> (36)
76684-89-4

>  <URL> (36)
http://www.selleckchem.com/products/loxistatin-acid-e-64c.html

$$$$
LM-3093 AZD9291.cdx
csChFnd80/05201910062D

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>  <Mol_ID> (37)
2701

>  <Formula> (37)
C28H33N7O2

>  <MolWeight> (37)
499.60732

>  <Cat> (37)
S7297

>  <Name> (37)
AZD9291

>  <Synonyms> (37)
N/A

>  <Target> (37)
EGFR

>  <Form> (37)
Free Base

>  <CAS> (37)
1421373-65-0

>  <URL> (37)
http://www.selleckchem.com/products/azd9291.html

$$$$
Z-FA-FMK.cdx
csChFnd80/05201910062D

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>  <Mol_ID> (38)
2710

>  <Formula> (38)
C21H23FN2O4

>  <MolWeight> (38)
386.4167232

>  <Cat> (38)
S7391

>  <Name> (38)
Z-FA-FMK

>  <Synonyms> (38)
N/A

>  <Target> (38)
Cysteine Protease

>  <Form> (38)
Free Base

>  <CAS> (38)
197855-65-5

>  <URL> (38)
http://www.selleckchem.com/products/z-fa-fmk.html

$$$$
Darapladib.cdx
csChFnd80/05201910062D

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   14.5538    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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 44 46  1  0  0  0  0
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M  END
>  <Mol_ID> (39)
2722

>  <Formula> (39)
C36H38F4N4O2S

>  <MolWeight> (39)
666.7711328

>  <Cat> (39)
S7520

>  <Name> (39)
Darapladib (SB-480848)

>  <Synonyms> (39)
N/A

>  <Target> (39)
Phospholipase (e.g. PLA)

>  <Form> (39)
Free Base

>  <CAS> (39)
356057-34-6

>  <URL> (39)
http://www.selleckchem.com/products/darapladib-sb-480848.html

$$$$
PTC-209 HBr.cdx
csChFnd80/05201910062D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4220    4.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1308    1.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0644    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5239    5.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5020    2.8100    0.0000 Br  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
  5  7  1  0  0  0  0
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  3  9  1  0  0  0  0
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M  END
>  <Mol_ID> (40)
2727

>  <Formula> (40)
C17H14Br3N5OS

>  <MolWeight> (40)
576.10296

>  <Cat> (40)
S7539

>  <Name> (40)
PTC-209 HBr

>  <Synonyms> (40)
N/A

>  <Target> (40)
Others

>  <Form> (40)
Free Base

>  <CAS> (40)
1217022-63-3

>  <URL> (40)
http://www.selleckchem.com/products/ptc-209-hbr.html

$$$$
AEBSF hydrochloride .cdx
csChFnd80/05201910062D

 14 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
  6  7  1  0  0  0  0
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  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  7 12  2  0  0  0  0
  7 13  2  0  0  0  0
M  END
>  <Mol_ID> (41)
2740

>  <Formula> (41)
C8H11ClFNO2S

>  <MolWeight> (41)
239.6948432

>  <Cat> (41)
S7378

>  <Name> (41)
AEBSF HCl

>  <Synonyms> (41)
N/A

>  <Target> (41)
Serine Protease

>  <Form> (41)
Hydrochloride

>  <CAS> (41)
30827-99-7

>  <URL> (41)
http://www.selleckchem.com/products/aebsf-hcl.html

$$$$
MALT1 inhibitor.cdx
csChFnd80/05201910062D

 29 31  0  0  0  0  0  0  0  0999 V2000
    5.9558    3.1249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9558    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    1.2922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1102    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    3.5575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (42)
2741

>  <Formula> (42)
C19H17Cl3N4O3

>  <MolWeight> (42)
455.72228

>  <Cat> (42)
S7429

>  <Name> (42)
MI-2 (MALT1 inhibitor)

>  <Synonyms> (42)
N/A

>  <Target> (42)
MALT

>  <Form> (42)
Free Base

>  <CAS> (42)
1047953-91-2

>  <URL> (42)
http://www.selleckchem.com/products/mi-2-malt1-inhibitor.html

$$$$
6H05.cdx
csChFnd80/05201910062D

 36 36  0  0  0  0  0  0  0  0999 V2000
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   21.8238    5.3193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8238    6.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0907    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6907    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (43)
2781

>  <Formula> (43)
C22H31ClF3N3O4S3

>  <MolWeight> (43)
590.1424496

>  <Cat> (43)
S7330

>  <Name> (43)
6H05

>  <Synonyms> (43)
N/A

>  <Target> (43)
Rho

>  <Form> (43)
Free Base

>  <CAS> (43)
No

>  <URL> (43)
http://www.selleckchem.com/products/6h05.html

$$$$
Z-DEVD-FMK.cdx
csChFnd80/05201910062D

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>  <Mol_ID> (44)
2790

>  <Formula> (44)
C31H42FN3O12

>  <MolWeight> (44)
667.6764832

>  <Cat> (44)
S7312

>  <Name> (44)
Z-DEVD-FMK

>  <Synonyms> (44)
Caspase-3 Inhibitor

>  <Target> (44)
Caspase

>  <Form> (44)
Free Base

>  <CAS> (44)
210344-95-9

>  <URL> (44)
http://www.selleckchem.com/products/z-devd-fmk.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/05201910062D

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M  END
>  <Mol_ID> (45)
2864

>  <Formula> (45)
C23H21Cl2FN4O3

>  <MolWeight> (45)
491.3422432

>  <Cat> (45)
S7358

>  <Name> (45)
Poziotinib (HM781-36B)

>  <Synonyms> (45)
NOV120101

>  <Target> (45)
EGFR

>  <Form> (45)
Free Base

>  <CAS> (45)
1092364-38-9

>  <URL> (45)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
GSK-LSD1  dihydrochloride.cdx
csChFnd80/05201910062D

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>  <Mol_ID> (46)
2895

>  <Formula> (46)
C14H22Cl2N2

>  <MolWeight> (46)
289.24388

>  <Cat> (46)
S7574

>  <Name> (46)
GSK-LSD1 2HCl

>  <Synonyms> (46)
N/A

>  <Target> (46)
Histone Demethylase

>  <Form> (46)
Dihydrochloride

>  <CAS> (46)
1431368-48-7

>  <URL> (46)
http://www.selleckchem.com/products/gsk-lsd1-2hcl.html

$$$$
CL-387785.cdx
csChFnd80/05201910062D

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M  END
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2909

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C18H13BrN4O

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381.22602

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CL-387785 (EKI-785)

>  <Synonyms> (47)
N/A

>  <Target> (47)
EGFR

>  <Form> (47)
Free Base

>  <CAS> (47)
194423-06-8

>  <URL> (47)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/05201910062D

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>  <Mol_ID> (48)
2922

>  <Formula> (48)
C32H33ClFN5O11

>  <MolWeight> (48)
718.0827232

>  <Cat> (48)
S7810

>  <Name> (48)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (48)
N/A

>  <Target> (48)
EGFR

>  <Form> (48)
Dimaleate

>  <CAS> (48)
850140-73-7

>  <URL> (48)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
BLU9931.cdx
csChFnd80/05201910062D

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>  <Mol_ID> (49)
2987

>  <Formula> (49)
C26H22Cl2N4O3

>  <MolWeight> (49)
509.38388

>  <Cat> (49)
S7819

>  <Name> (49)
BLU9931

>  <Synonyms> (49)
N/A

>  <Target> (49)
FGFR

>  <Form> (49)
Free Base

>  <CAS> (49)
1538604-68-0

>  <URL> (49)
http://www.selleckchem.com/products/blu9931.html

$$$$
FIIN-2.cdx
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M  END
>  <Mol_ID> (50)
3047

>  <Formula> (50)
C35H38N8O4

>  <MolWeight> (50)
634.72742

>  <Cat> (50)
S7714

>  <Name> (50)
FIIN-2

>  <Synonyms> (50)
N/A

>  <Target> (50)
FGFR

>  <Form> (50)
Free Base

>  <CAS> (50)
1633044-56-0

>  <URL> (50)
http://www.selleckchem.com/products/fiin-2.html

$$$$
Fumagillin.cdx
csChFnd80/05201910062D

 34 36  0  0  0  0  0  0  0  0999 V2000
   14.5156    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.5156    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  13 B_NG_STER 2
M  END
>  <Mol_ID> (51)
3061

>  <Formula> (51)
C26H34O7

>  <MolWeight> (51)
458.54396

>  <Cat> (51)
S7784

>  <Name> (51)
Fumagillin

>  <Synonyms> (51)
N/A

>  <Target> (51)
Others

>  <Form> (51)
Free Base

>  <CAS> (51)
23110-15-8

>  <URL> (51)
http://www.selleckchem.com/products/fumagillin.html

$$$$
Z-VAD(OH)-FMK (Caspase Inhibitor VI).cdx
csChFnd80/05201910062D

 32 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
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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  1  1  0  0  0  0
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 27 31  2  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (52)
3083

>  <Formula> (52)
C21H28FN3O7

>  <MolWeight> (52)
453.4613232

>  <Cat> (52)
S8102

>  <Name> (52)
Z-VAD(OH)-FMK

>  <Synonyms> (52)
N/A

>  <Target> (52)
Caspase

>  <Form> (52)
Free Base

>  <CAS> (52)
161401-82-7

>  <URL> (52)
http://www.selleckchem.com/products/z-vad(oh)-fmk.html

$$$$
GSK2879552.cdx
csChFnd80/05201910062D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (53)
3089

>  <Formula> (53)
C23H30Cl2N2O2

>  <MolWeight> (53)
437.4025

>  <Cat> (53)
S7796

>  <Name> (53)
GSK2879552 2HCl

>  <Synonyms> (53)
N/A

>  <Target> (53)
Histone Demethylase

>  <Form> (53)
Dihydrochloride

>  <CAS> (53)
1401966-69-5

>  <URL> (53)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

$$$$
Acalabrutinib.cdx
csChFnd80/05201910062D

 35 39  0  0  0  0  0  0  0  0999 V2000
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 23 24  2  0  0  0  0
 24 18  1  0  0  0  0
 21 25  1  0  0  0  0
 17 18  1  0  0  0  0
 26 19  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 26  1  0  0  0  0
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 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  3  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (54)
3119

>  <Formula> (54)
C26H23N7O2

>  <MolWeight> (54)
465.50652

>  <Cat> (54)
S8116

>  <Name> (54)
Acalabrutinib (ACP-196)

>  <Synonyms> (54)
N/A

>  <Target> (54)
BTK

>  <Form> (54)
Free Base

>  <CAS> (54)
1420477-60-6

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

$$$$
S4582 Eflornithine  hydrochloride  hydrate.cdx
csChFnd80/05201910062D

 14 11  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2794    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    4.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0256    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6923    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (55)
3184

>  <Formula> (55)
C6H15ClF2N2O3

>  <MolWeight> (55)
236.6447064

>  <Cat> (55)
S4582

>  <Name> (55)
Eflornithine hydrochloride hydrate

>  <Synonyms> (55)
Difluoromethylornithine hydrochloride hydrate

>  <Target> (55)
Decarboxylase

>  <Form> (55)
hydrochloride hydrate

>  <CAS> (55)
96020-91-6

>  <URL> (55)
http://www.selleckchem.com/products/eflornithine-hydrochloride-hydrate.html

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/05201910062D

 40 41  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   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    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    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
    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
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  2  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
   12.1244    4.9000    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
   13.3368    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.8000    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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  6  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  1  0  0  0  0
 32 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (56)
3204

>  <Formula> (56)
C26H27F4N3O7

>  <MolWeight> (56)
569.5020928

>  <Cat> (56)
S7775

>  <Name> (56)
Emricasan (IDN-6556, PF-03491390)

>  <Synonyms> (56)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (56)
Caspase

>  <Form> (56)
Free Base

>  <CAS> (56)
254750-02-2

>  <URL> (56)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

$$$$
CA-074 methyl ester.cdx
csChFnd80/05201910062D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1756    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.2756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    0.9632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0995    2.8756    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3119    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    4.2756    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3119    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3119    0.7756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.8756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7401    3.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4259    0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4663    1.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    6.3756    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 11  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 14 18  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 20 24  1  1  0  0  0
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 25 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
>  <Mol_ID> (57)
3292

>  <Formula> (57)
C19H31N3O6

>  <MolWeight> (57)
397.46594

>  <Cat> (57)
S7420

>  <Name> (57)
CA-074 methyl ester (CA-074 Me)

>  <Synonyms> (57)
Cathepsin B Inhibitor IV

>  <Target> (57)
Cysteine Protease

>  <Form> (57)
Free Base

>  <CAS> (57)
147859-80-1

>  <URL> (57)
http://www.selleckchem.com/products/ca-074-methyl-ester.html

$$$$
Etomoxir (Na salt).cdx
csChFnd80/05201910062D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1725    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.0725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2367    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7155    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8580    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792    2.6311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0004    3.9467    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   13.7579    3.4605    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  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 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 15 18  1  1  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (58)
3296

>  <Formula> (58)
C15H18ClNaO4

>  <MolWeight> (58)
320.74379

>  <Cat> (58)
S8244

>  <Name> (58)
Etomoxir (Na salt)

>  <Synonyms> (58)
N/A

>  <Target> (58)
Transferase

>  <Form> (58)
sodium salt

>  <CAS> (58)
828934-41-4

>  <URL> (58)
http://www.selleckchem.com/products/etomoxir-na-salt.html

$$$$
THZ1.cdx
csChFnd80/05201910062D

 43 45  0  0  0  0  0  0  0  0999 V2000
   19.0276   16.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6653   15.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6552   14.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.3799   16.8326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   22.7222   16.2050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   25.6920   13.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.6050    9.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3196   10.8929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2941   12.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0604   10.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (59)
3314

>  <Formula> (59)
C31H30Cl3N7O2

>  <MolWeight> (59)
638.9746

>  <Cat> (59)
S7549

>  <Name> (59)
THZ1 2HCl

>  <Synonyms> (59)
N/A

>  <Target> (59)
CDK

>  <Form> (59)
dihydrochloride

>  <CAS> (59)
1604810-83-4(free base)

>  <URL> (59)
http://www.selleckchem.com/products/thz1.html

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/05201910062D

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M  END
>  <Mol_ID> (60)
3352

>  <Formula> (60)
C30H42N8O3

>  <MolWeight> (60)
562.70628

>  <Cat> (60)
S8412

>  <Name> (60)
ASP8273 (Naquotinib)

>  <Synonyms> (60)
N/A

>  <Target> (60)
EGFR

>  <Form> (60)
Free Base

>  <CAS> (60)
1448232-80-1

>  <URL> (60)
http://www.selleckchem.com/products/naquotinib-asp8273.html

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/05201910062D

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M  END
>  <Mol_ID> (61)
3357

>  <Formula> (61)
C25H23ClN6O3

>  <MolWeight> (61)
490.94152

>  <Cat> (61)
S8166

>  <Name> (61)
ONO-4059 (GS-4059) hydrochloride

>  <Synonyms> (61)
N/A

>  <Target> (61)
BTK

>  <Form> (61)
hydrochloride

>  <CAS> (61)
1439901-97-9

>  <URL> (61)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/05201910062D

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>  <Synonyms> (62)
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>  <Target> (62)
EGFR

>  <Form> (62)
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>  <CAS> (62)
1508250-71-2

>  <URL> (62)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
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csChFnd80/05201910062D

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>  <Formula> (63)
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>  <Name> (63)
Cl-amidine

>  <Synonyms> (63)
N/A

>  <Target> (63)
Immunology & Inflammation related

>  <Form> (63)
trifluoroacetate

>  <CAS> (63)
1043444-18-3

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

$$$$
ARS-853.cdx
csChFnd80/05201910062D

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3398

>  <Formula> (64)
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>  <Name> (64)
ARS-853 (ARS853)

>  <Synonyms> (64)
N/A

>  <Target> (64)
K-Ras(G12C)

>  <Form> (64)
free base

>  <CAS> (64)
1629268-00-3

>  <URL> (64)
http://www.selleckchem.com/products/ars-853.html

$$$$
INF39.cdx
csChFnd80/05201910062D

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>  <Mol_ID> (65)
3413

>  <Formula> (65)
C12H13ClO2

>  <MolWeight> (65)
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>  <Cat> (65)
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INF39

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N/A

>  <Target> (65)
NLRP3 

>  <Form> (65)
free base

>  <CAS> (65)
866028-26-4

>  <URL> (65)
http://www.selleckchem.com/products/inf39.html

$$$$
PRN1371.cdx
csChFnd80/05201910062D

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>  <Mol_ID> (66)
3445

>  <Formula> (66)
C26H30Cl2N6O4

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>  <Cat> (66)
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>  <Name> (66)
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>  <Synonyms> (66)
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>  <Target> (66)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (66)
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>  <CAS> (66)
1802929-43-6

>  <URL> (66)
http://www.selleckchem.com/products/prn1371.html

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/05201910062D

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M  END
>  <Mol_ID> (67)
3479

>  <Formula> (67)
C12H8ClI

>  <MolWeight> (67)
314.54939

>  <Cat> (67)
S8639

>  <Name> (67)
Diphenyleneiodonium chloride (DPI)

>  <Synonyms> (67)
N/A

>  <Target> (67)
NADPH oxidase

>  <Form> (67)
chloride

>  <CAS> (67)
4673-26-1

>  <URL> (67)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

$$$$
H3B-6527.cdx
csChFnd80/05201910062D

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>  <Mol_ID> (68)
3549

>  <Formula> (68)
C29H34Cl2N8O4

>  <MolWeight> (68)
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>  <Cat> (68)
S8675

>  <Name> (68)
H3B-6527

>  <Synonyms> (68)
N/A

>  <Target> (68)
FGFR4

>  <Form> (68)
free base

>  <CAS> (68)
1702259-66-2

>  <URL> (68)
http://www.selleckchem.com/products/h3b-6527.html

$$$$
BMS-986205.cdx
csChFnd80/05201910062D

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>  <Mol_ID> (69)
4075

>  <Formula> (69)
C24H24ClFN2O

>  <MolWeight> (69)
410.9115632

>  <Cat> (69)
S8629

>  <Synonyms> (69)
N/A

>  <Target> (69)
IDO1

>  <Form> (69)
free base

>  <CAS> (69)
1923833-60-6

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

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/05201910062D

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>  <Mol_ID> (70)
4103

>  <Formula> (70)
C30H34N8O3

>  <MolWeight> (70)
554.64276

>  <Cat> (70)
S8724

>  <Name> (70)
Lazertinib (YH25448,GNS-1480)

>  <Form> (70)
free base

>  <CAS> (70)
1903008-80-9

$$$$

csChFnd80/05201910062D

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   13.9800    5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  1  0  0  0  0
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 17 13  1  0  0  0  0
  9 18  2  0  0  0  0
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 18 24  1  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (71)
4718

>  <Formula> (71)
C29H37N7O5S

>  <MolWeight> (71)
595.71298

>  <Cat> (71)
S5078

>  <Name> (71)
Osimertinib mesylate

>  <Synonyms> (71)
AZD9291 mesylate

>  <Target> (71)
EGFR

>  <Form> (71)
mesylate

>  <CAS> (71)
1421373-66-1

>  <URL> (71)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/05201910062D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (72)
4819

>  <Formula> (72)
C12H13N

>  <MolWeight> (72)
171.23832

>  <Cat> (72)
S5795

>  <Name> (72)
Rasagiline

>  <Synonyms> (72)
TVP-1012

>  <Target> (72)
MAO

>  <Form> (72)
Free Base

>  <CAS> (72)
136236-51-6

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

$$$$

csChFnd80/05201910062D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (73)
4934

>  <Formula> (73)
C26H26FN7O2

>  <MolWeight> (73)
487.5287432

>  <Cat> (73)
S8741

>  <Name> (73)
Avitinib (AC0010)

>  <Synonyms> (73)
N/A

>  <Target> (73)
EGFR

>  <Form> (73)
Free Base

>  <CAS> (73)
1557267-42-1

>  <URL> (73)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/05201910062D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
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M  END
>  <Mol_ID> (74)
4956

>  <Formula> (74)
C22H21F3N6O2

>  <MolWeight> (74)
458.4363496

>  <Cat> (74)
S8801

>  <Name> (74)
CC-90003

>  <Synonyms> (74)
N/A

>  <Target> (74)
ERK

>  <Form> (74)
Free Base

>  <CAS> (74)
1621999-82-3

>  <URL> (74)
http://www.selleckchem.com/products/cc-90003.html

$$$$
