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EGFR

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Free Base

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1214265-56-1

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http://www.selleckchem.com/products/WZ3146.html

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csChFnd80/10282009562D

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N/A

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EGFR

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Free Base

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1213269-23-8

>  <URL> (2)
http://www.selleckchem.com/products/WZ4002.html

$$$$
wz8040.cdx
csChFnd80/10282009562D

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EGFR

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Free Base

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1214265-57-2

>  <URL> (3)
http://www.selleckchem.com/products/WZ8040.html

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/10282009562D

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Dacogen

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DNA/RNA Synthesis

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Free Base

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2353-33-5

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

$$$$
Pelitinib.cdx
csChFnd80/10282009562D

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   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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (5)
249

>  <Formula> (5)
C24H23ClFN5O2

>  <MolWeight> (5)
467.9231232

>  <Cat> (5)
S1392

>  <Name> (5)
Pelitinib (EKB-569)

>  <Synonyms> (5)
WAY-EKB 569

>  <Target> (5)
EGFR

>  <Form> (5)
Free Base

>  <CAS> (5)
257933-82-7

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

$$$$
ALLI (orlistat).cdx
csChFnd80/10282009562D

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M  END
>  <Mol_ID> (6)
379

>  <Formula> (6)
C29H53NO5

>  <MolWeight> (6)
495.73482

>  <Cat> (6)
S1629

>  <Name> (6)
Orlistat (Alli, Xenical)

>  <Synonyms> (6)
Tetrahydrolipstatin

>  <Target> (6)
Lipase

>  <Form> (6)
Free Base

>  <CAS> (6)
96829-58-2

>  <URL> (6)
http://www.selleckchem.com/products/Orlistat(Alli).html

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/10282009562D

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    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  5  7  1  1  0  0  0
  2  8  1  6  0  0  0
  4  9  1  6  0  0  0
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 11 12  1  0  0  0  0
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 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (7)
459

>  <Formula> (7)
C8H12N4O5

>  <MolWeight> (7)
244.20468

>  <Cat> (7)
S1782

>  <Name> (7)
Azacitidine (Vidaza)

>  <Synonyms> (7)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (7)
DNA/RNA Synthesis

>  <Form> (7)
Free Base

>  <CAS> (7)
320-67-2

>  <URL> (7)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

$$$$
RG108.cdx
csChFnd80/10282009562D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.9792    4.6632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1 26  1  1  0  0  0
M  END
>  <Mol_ID> (8)
570

>  <Formula> (8)
C19H14N2O4

>  <MolWeight> (8)
334.32546

>  <Cat> (8)
S2821

>  <Name> (8)
RG108

>  <Synonyms> (8)
N/A 

>  <Target> (8)
Transferases

>  <Form> (8)
Free Base

>  <CAS> (8)
48208-26-0

>  <URL> (8)
http://www.selleckchem.com/products/rg108.html

$$$$
AST-1306.cdx
csChFnd80/10282009562D

 43 46  0  0  0  0  0  0  0  0999 V2000
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575

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EGFR

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Mesylate

>  <CAS> (9)
1050500-29-2

>  <URL> (9)
http://www.selleckchem.com/products/ast-1306.html

$$$$
PMSF.cdx
csChFnd80/10282009562D

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M  END
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C7H7FO2S

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PMSF (Phenylmethylsulfonyl Fluoride)

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N/A 

>  <Target> (10)
Serine Protease,Cysteine Protease

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Free Base

>  <CAS> (10)
329-98-6

>  <URL> (10)
http://www.selleckchem.com/products/pmsf-phenylmethylsulfonyl-fluoride.html

$$$$
vildagliptin.cdx
csChFnd80/10282009562D

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M  END
>  <Mol_ID> (11)
619

>  <Formula> (11)
C17H25N3O2

>  <MolWeight> (11)
303.3993

>  <Cat> (11)
S3033

>  <Name> (11)
Vildagliptin (LAF-237)

>  <Synonyms> (11)
Galvus 

>  <Target> (11)
DPP-4

>  <Form> (11)
Free Base

>  <CAS> (11)
274901-16-5

>  <URL> (11)
http://www.selleckchem.com/products/vildagliptin-laf-237.html

$$$$
Andrographolide.cdx
csChFnd80/10282009562D

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M  END
>  <Mol_ID> (12)
696

>  <Formula> (12)
C20H30O5

>  <MolWeight> (12)
350.4492

>  <Cat> (12)
S2261

>  <Name> (12)
Andrographolide

>  <Synonyms> (12)
N/A

>  <Target> (12)
NF-¦ÊB

>  <Form> (12)
Free Base

>  <CAS> (12)
5508-58-7

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

$$$$
PCI-32765.cdx
csChFnd80/10282009562D

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>  <Mol_ID> (13)
795

>  <Formula> (13)
C25H24N6O2

>  <MolWeight> (13)
440.49706

>  <Cat> (13)
S2680

>  <Name> (13)
PCI-32765 (Ibrutinib)

>  <Synonyms> (13)
N/A

>  <Target> (13)
Src

>  <Form> (13)
Free Base

>  <CAS> (13)
936563-96-1

>  <URL> (13)
http://www.selleckchem.com/products/pci-32765.html

$$$$
Dimethyl Fumarate.cdx
csChFnd80/10282009562D

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M  END
>  <Mol_ID> (14)
911

>  <Formula> (14)
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>  <CAS> (14)
624-49-7

>  <URL> (14)
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N/A

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FAAH

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Free Base

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1196109-52-0

>  <URL> (15)
http://www.selleckchem.com/products/pf-3845.html

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EGFR

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Free Base

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1110813-31-4

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COX

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322-79-2

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$$$$
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GSK-3

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Free Base

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865854-05-3 

>  <URL> (18)
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$$$$
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   20.5483    6.9903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   18.1318    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.2483    5.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5072    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  3  7  1  0  0  0  0
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 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 25  1  0  0  0  0
 23 29  1  1  0  0  0
 15 30  1  1  0  0  0
 25 31  1  0  0  0  0
 11 32  1  6  0  0  0
 19 33  1  6  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
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 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
 30 41  1  0  0  0  0
 41 42  1  0  0  0  0
 29 43  1  0  0  0  0
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 43 46  1  0  0  0  0
 33 47  1  0  0  0  0
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 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 47  1  0  0  0  0
M  END
>  <Mol_ID> (19)
1072

>  <Formula> (19)
C40H57N5O7

>  <MolWeight> (19)
719.90988

>  <Cat> (19)
S2853

>  <Name> (19)
Carfilzomib (PR-171)

>  <Synonyms> (19)
N/A 

>  <Target> (19)
Proteasome

>  <Form> (19)
Free Base

>  <CAS> (19)
868540-17-4

>  <URL> (19)
http://www.selleckchem.com/products/carfilzomib-pr-171.html

$$$$
CCG 50014.cdx
csChFnd80/10282009562D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    6.0496    1.9341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8250    1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (20)
1136

>  <Formula> (20)
C16H13FN2O2S

>  <MolWeight> (20)
316.3500232

>  <Cat> (20)
S2901

>  <Name> (20)
CCG 50014

>  <Synonyms> (20)
N/A

>  <Target> (20)
Others

>  <Form> (20)
Free Base

>  <CAS> (20)
883050-24-6

>  <URL> (20)
http://www.selleckchem.com/products/ccg-50014.html

$$$$

csChFnd80/10282009562D

 25 29  0  0  0  0  0  0  0  0999 V2000
    0.7000    5.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  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
  9  4  1  0  0  0  0
  8 10  1  0  0  0  0
 10  6  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
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 16 23  1  1  0  0  0
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  3  4  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (21)
1181

>  <Formula> (21)
C18H25N3O2

>  <MolWeight> (21)
315.41

>  <Cat> (21)
S1540

>  <Name> (21)
Saxagliptin (BMS-477118,Onglyza)

>  <Synonyms> (21)
N/A

>  <Target> (21)
DPP-4

>  <Form> (21)
Free Base

>  <CAS> (21)
361442-04-8

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

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/10282009562D

 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
    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
    3.6331    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
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    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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (22)
1223

>  <Formula> (22)
C18H23Cl2NO

>  <MolWeight> (22)
340.28732

>  <Cat> (22)
S2499

>  <Name> (22)
Phenoxybenzamine HCl

>  <Synonyms> (22)
N/A

>  <Target> (22)
Androgen Receptor

>  <Form> (22)
HCl

>  <CAS> (22)
63-92-3

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

$$$$
Sulbactam sodium.cdx
csChFnd80/10282009562D

 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
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    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
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    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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    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
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    4.3469    5.9551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
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  5 13  2  0  0  0  0
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 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (23)
1227

>  <Formula> (23)
C8H10NNaO5S

>  <MolWeight> (23)
255.22347

>  <Cat> (23)
S2551

>  <Name> (23)
Sulbactam sodium (Unasyn)

>  <Synonyms> (23)
N/A

>  <Target> (23)
Antifection

>  <Form> (23)
Sodium  salt

>  <CAS> (23)
69388-84-7

>  <URL> (23)
http://www.selleckchem.com/products/sulbactam-sodium-unasyn.html

$$$$
aspirin.cdx
csChFnd80/10282009562D

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M  END
>  <Mol_ID> (24)
1235

>  <Formula> (24)
C9H8O4

>  <MolWeight> (24)
180.15742

>  <Cat> (24)
S3017

>  <Name> (24)
Aspirin (Acetylsalicylic acid)

>  <Synonyms> (24)
N/A

>  <Target> (24)
COX

>  <Form> (24)
Free Base

>  <CAS> (24)
50-78-2

>  <URL> (24)
http://www.selleckchem.com/products/aspirin-acetylsalicylic-acid.html

$$$$
JNK-IN-8.cdx
csChFnd80/10282009562D

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M  END
>  <Mol_ID> (25)
1279

>  <Formula> (25)
C29H29N7O2

>  <MolWeight> (25)
507.58626

>  <Cat> (25)
S4901

>  <Name> (25)
JNK-IN-8

>  <Synonyms> (25)
N/A

>  <Target> (25)
Free Base

>  <Form> (25)
Free Base

>  <CAS> (25)
1410880-22-6

>  <URL> (25)
http://www.selleckchem.com/products/jnk-in-8.html

$$$$
Bergapten.cdx
csChFnd80/10282009562D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (26)
1383

>  <Formula> (26)
C12H8O4

>  <MolWeight> (26)
216.18952

>  <Cat> (26)
S4239

>  <Name> (26)
Bergapten

>  <Synonyms> (26)
N/A

>  <Target> (26)
DNA/RNA Synthesis

>  <Form> (26)
Free Base

>  <CAS> (26)
484-20-8

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

$$$$
S4246.cdx
csChFnd80/10282009562D

 12 11  0  0  0  0  0  0  0  0999 V2000
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A   12
relative stereochemistry
M  END
>  <Mol_ID> (27)
1450

>  <Formula> (27)
C9H12ClNR

>  <MolWeight> (27)
169.65128

>  <Cat> (27)
S4246

>  <Name> (27)
Tranylcypromine (2-PCPA) HCl

>  <Synonyms> (27)
N/A

>  <Target> (27)
MAO

>  <Form> (27)
Hydrochloride

>  <CAS> (27)
4548-34-9

>  <URL> (27)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/10282009562D

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M  END
>  <Mol_ID> (28)
1527

>  <Formula> (28)
C24H25ClFN5O3

>  <MolWeight> (28)
485.9384032

>  <Cat> (28)
S1011

>  <Name> (28)
Afatinib (BIBW2992)

>  <Synonyms> (28)
N/A

>  <Target> (28)
EGFR

>  <Form> (28)
Free Base

>  <CAS> (28)
439081-18-2

>  <URL> (28)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
S4586 4-Chloro-DL-phenylalanine.cdx
csChFnd80/10282009562D

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    2.4374    0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (29)
1621

>  <Formula> (29)
C9H10ClNO2

>  <MolWeight> (29)
199.6342

>  <Cat> (29)
S4586

>  <Name> (29)
4-Chloro-DL-phenylalanine

>  <Synonyms> (29)
Fenclonine, PCPA, CP-10188

>  <Target> (29)
Hydroxylase

>  <Form> (29)
Free Base

>  <CAS> (29)
7424-00-2

>  <URL> (29)
http://www.selleckchem.com/products/4-chloro-dl-phenylalanine.html

$$$$
S4610 Mebendazole.cdx
csChFnd80/10282009562D

 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> (30)
1643

>  <Formula> (30)
C16H13N3O3

>  <MolWeight> (30)
295.29272

>  <Cat> (30)
S4610

>  <Name> (30)
Mebendazole

>  <Synonyms> (30)
Vermox, Telmin, Pantelmin, Mebenvet

>  <Target> (30)
Antifection

>  <Form> (30)
Free Base

>  <CAS> (30)
31431-39-7

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

$$$$
Pantoprazole.cdx
csChFnd80/10282009562D

 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> (31)
1713

>  <Formula> (31)
C16H15F2N3O4S

>  <MolWeight> (31)
383.3698064

>  <Cat> (31)
S2105

>  <Name> (31)
Pantoprazole (Protonix)

>  <Synonyms> (31)
N/A

>  <Target> (31)
Proton Pump

>  <Form> (31)
Free Base

>  <CAS> (31)
102625-70-7

>  <URL> (31)
http://www.selleckchem.com/products/pantoprazole-protonix.html

$$$$
S3692 N-Ethylmaleimide.cdx
csChFnd80/10282009562D

  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> (32)
1754

>  <Formula> (32)
C6H7NO2

>  <MolWeight> (32)
125.12528

>  <Cat> (32)
S3692

>  <Name> (32)
N-Ethylmaleimide (NEM)

>  <Synonyms> (32)
N/A

>  <Target> (32)
cysteine peptidases

>  <Form> (32)
free base

>  <CAS> (32)
128-53-0

>  <URL> (32)
http://www.selleckchem.com/products/n-ethylmaleimide-nem.html

$$$$
S3732 Avibactam sodium.cdx
csChFnd80/10282009562D

 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> (33)
1782

>  <Formula> (33)
C7H10N3NaO6S

>  <MolWeight> (33)
287.22557

>  <Cat> (33)
S3732

>  <Name> (33)
Avibactam sodium

>  <Synonyms> (33)
AVE-1330A, NXL104

>  <Target> (33)
 ¦Â-lactamase

>  <Form> (33)
sodium salt

>  <CAS> (33)
1192491-61-4

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

$$$$
S3678 PTP Inhibitor II.cdx
csChFnd80/10282009562D

 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
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    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
    7.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (34)
1870

>  <Formula> (34)
C9H9BrO2

>  <MolWeight> (34)
229.07056

>  <Cat> (34)
S3678

>  <Name> (34)
PTP Inhibitor II

>  <Synonyms> (34)
NSC 129010, 4-(Bromoacetyl)anisole

>  <Target> (34)
PTP

>  <Form> (34)
free base

>  <CAS> (34)
2632-13-5

>  <URL> (34)
http://www.selleckchem.com/products/ptp-inhibitor-2.html

$$$$
PD168393.cdx
csChFnd80/10282009562D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.8329    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.7976    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
  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
  2 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  2  0  0  0  0
  7 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
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (35)
2020

>  <Formula> (35)
C17H13BrN4O

>  <MolWeight> (35)
369.21532

>  <Cat> (35)
S7039

>  <Name> (35)
PD168393

>  <Synonyms> (35)
N/A

>  <Target> (35)
EGFR

>  <Form> (35)
Free Base

>  <CAS> (35)
194423-15-9

>  <URL> (35)
https://www.selleckchem.com/products/pd168393.html

$$$$
CNX-2006.cdx
csChFnd80/10282009562D

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   15.0346    2.5052    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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M  END
>  <Mol_ID> (36)
2045

>  <Formula> (36)
C26H27F4N7O2

>  <MolWeight> (36)
545.5318928

>  <Cat> (36)
S7206

>  <Name> (36)
CNX-2006

>  <Synonyms> (36)
N/A

>  <Target> (36)
EGFR

>  <Form> (36)
Free Base

>  <CAS> (36)
1375465-09-0

>  <URL> (36)
http://www.selleckchem.com/products/cnx-2006.html

$$$$
S4856 Iproniazid.cdx
csChFnd80/10282009562D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2155    2.8336    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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  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
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M  END
>  <Mol_ID> (37)
2193

>  <Formula> (37)
C9H13N3O

>  <MolWeight> (37)
179.21902

>  <Cat> (37)
S4856

>  <Name> (37)
Iproniazid

>  <Synonyms> (37)
Marsilid, Iprazid

>  <Target> (37)
MAO

>  <Form> (37)
free base

>  <CAS> (37)
54-92-2

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

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/10282009562D

  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  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
M  END
>  <Mol_ID> (38)
2340

>  <Formula> (38)
FNa2O3P

>  <MolWeight> (38)
143.9499042

>  <Cat> (38)
S4013

>  <Name> (38)
Sodium Monofluorophosphate

>  <Synonyms> (38)
Sodium Fluorophosphate

>  <Target> (38)
Others
phosphatase

>  <Form> (38)
Disodium salt

>  <CAS> (38)
10163-15-2

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

$$$$
Zebularine.cdx
csChFnd80/10282009562D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (39)
2367

>  <Formula> (39)
C9H12N2O5

>  <MolWeight> (39)
228.20198

>  <Cat> (39)
S7113

>  <Name> (39)
Zebularine

>  <Synonyms> (39)
N/A

>  <Target> (39)
DNA Methyltransferase

>  <Form> (39)
Free Base

>  <CAS> (39)
654065

>  <URL> (39)
https://www.selleckchem.com/products/zebularine.html

$$$$
GSK3787.cdx
csChFnd80/10282009562D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (40)
2368

>  <Formula> (40)
C15H12ClF3N2O3S

>  <MolWeight> (40)
392.7805896

>  <Cat> (40)
S8025

>  <Name> (40)
GSK3787

>  <Synonyms> (40)
N/A

>  <Target> (40)
PPAR

>  <Form> (40)
Free Base

>  <CAS> (40)
188591-46-0

>  <URL> (40)
https://www.selleckchem.com/products/gsk3787.html

$$$$
Neratinib.cdx
csChFnd80/10282009562D

 40 43  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (41)
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>  <MolWeight> (41)
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>  <Cat> (41)
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Neratinib (HKI-272)

>  <Synonyms> (41)
N/A 

>  <Target> (41)
HER2, EGFR

>  <Form> (41)
Free Base

>  <CAS> (41)
698387-09-6

>  <URL> (41)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

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2517

>  <Formula> (42)
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>  <MolWeight> (42)
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>  <Name> (42)
BLU9931

>  <Synonyms> (42)
N/A

>  <Target> (42)
FGFR

>  <Form> (42)
Free Base

>  <CAS> (42)
1538604-68-0

>  <URL> (42)
http://www.selleckchem.com/products/blu9931.html

$$$$
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2649

>  <Formula> (43)
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>  <Cat> (43)
S7284

>  <Name> (43)
Rociletinib (CO-1686, AVL-301)

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CNX-419, AVL-301

>  <Target> (43)
EGFR

>  <Form> (43)
Free Base

>  <CAS> (43)
1374640-70-6

>  <URL> (43)
http://www.selleckchem.com/products/co-1686.html

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>  <Mol_ID> (44)
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>  <Formula> (44)
C22H22FN5O3

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CC-292 (AVL-292)

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CC-292

>  <Target> (44)
BTK

>  <Form> (44)
Free Base

>  <CAS> (44)
1202757-89-8

>  <URL> (44)
http://www.selleckchem.com/products/avl-292.html

$$$$
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csChFnd80/10282009562D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    3.6373   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    6.0622    8.4000    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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    8.4870   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870   16.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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    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
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    3.6373    2.8000    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
    3.6373    0.0000    0.0000 N   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
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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
  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  8  1  0  0  0  0
  9 14  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 22 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
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 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (45)
2746

>  <Formula> (45)
C26H22FN7O3

>  <MolWeight> (45)
499.4963832

>  <Cat> (45)
S7257

>  <Name> (45)
CNX-774

>  <Synonyms> (45)
N/A

>  <Target> (45)
BTK

>  <Form> (45)
Free Base

>  <CAS> (45)
1202759-32-7

>  <URL> (45)
http://www.selleckchem.com/products/cnx-774.html

$$$$
E-64d(Aloxistatin,Loxistatin£©.cdx
csChFnd80/10282009562D

 24 24  0  0  0  0  0  0  0  0999 V2000
    6.2540    2.7992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8499    2.7992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.1036    0.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1037    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3160    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3162    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5284    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7409    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7409    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9533    0.0001    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  6  0  0  0
  2  5  1  1  0  0  0
  2  3  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
 10  6  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  1  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (46)
2763

>  <Formula> (46)
C17H30N2O5

>  <MolWeight> (46)
342.4305

>  <Cat> (46)
S7393

>  <Name> (46)
E-64d(Aloxistatin,Loxistatin£©

>  <Synonyms> (46)
E-64d

>  <Target> (46)
Cysteine Protease

>  <Form> (46)
Free Base

>  <CAS> (46)
88321-09-9

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

$$$$
E-64c (Loxistatin Acid).cdx
csChFnd80/10282009562D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 15 17  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (47)
2795

>  <Formula> (47)
C15H26N2O5

>  <MolWeight> (47)
314.37734

>  <Cat> (47)
S7392

>  <Name> (47)
Loxistatin Acid (E-64C)

>  <Synonyms> (47)
NSC 694279, EP 475

>  <Target> (47)
Cysteine Protease

>  <Form> (47)
Free Base

>  <CAS> (47)
76684-89-4

>  <URL> (47)
http://www.selleckchem.com/products/loxistatin-acid-e-64c.html

$$$$
LM-3093 AZD9291.cdx
csChFnd80/10282009562D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    3.4388    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8637    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (48)
2803

>  <Formula> (48)
C28H33N7O2

>  <MolWeight> (48)
499.60732

>  <Cat> (48)
S7297

>  <Name> (48)
AZD9291

>  <Synonyms> (48)
N/A

>  <Target> (48)
EGFR

>  <Form> (48)
Free Base

>  <CAS> (48)
1421373-65-0

>  <URL> (48)
http://www.selleckchem.com/products/azd9291.html

$$$$
Z-FA-FMK.cdx
csChFnd80/10282009562D

 28 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  1  0  0  0
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M  END
>  <Mol_ID> (49)
2812

>  <Formula> (49)
C21H23FN2O4

>  <MolWeight> (49)
386.4167232

>  <Cat> (49)
S7391

>  <Name> (49)
Z-FA-FMK

>  <Synonyms> (49)
N/A

>  <Target> (49)
Cysteine Protease

>  <Form> (49)
Free Base

>  <CAS> (49)
197855-65-5

>  <URL> (49)
http://www.selleckchem.com/products/z-fa-fmk.html

$$$$
Darapladib.cdx
csChFnd80/10282009562D

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M  END
>  <Mol_ID> (50)
2824

>  <Formula> (50)
C36H38F4N4O2S

>  <MolWeight> (50)
666.7711328

>  <Cat> (50)
S7520

>  <Name> (50)
Darapladib (SB-480848)

>  <Synonyms> (50)
N/A

>  <Target> (50)
Phospholipase (e.g. PLA)

>  <Form> (50)
Free Base

>  <CAS> (50)
356057-34-6

>  <URL> (50)
http://www.selleckchem.com/products/darapladib-sb-480848.html

$$$$
PTC-209 HBr.cdx
csChFnd80/10282009562D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (51)
2829

>  <Formula> (51)
C17H14Br3N5OS

>  <MolWeight> (51)
576.10296

>  <Cat> (51)
S7539

>  <Name> (51)
PTC-209 HBr

>  <Synonyms> (51)
N/A

>  <Target> (51)
Others

>  <Form> (51)
Free Base

>  <CAS> (51)
1217022-63-3

>  <URL> (51)
http://www.selleckchem.com/products/ptc-209-hbr.html

$$$$
AEBSF hydrochloride .cdx
csChFnd80/10282009562D

 14 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (52)
2842

>  <Formula> (52)
C8H11ClFNO2S

>  <MolWeight> (52)
239.6948432

>  <Cat> (52)
S7378

>  <Name> (52)
AEBSF HCl

>  <Synonyms> (52)
N/A

>  <Target> (52)
Serine Protease

>  <Form> (52)
Hydrochloride

>  <CAS> (52)
30827-99-7

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

$$$$
MALT1 inhibitor.cdx
csChFnd80/10282009562D

 29 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (53)
2843

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C19H17Cl3N4O3

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>  <Name> (53)
MI-2 (MALT1 inhibitor)

>  <Synonyms> (53)
N/A

>  <Target> (53)
MALT

>  <Form> (53)
Free Base

>  <CAS> (53)
1047953-91-2

>  <URL> (53)
http://www.selleckchem.com/products/mi-2-malt1-inhibitor.html

$$$$
6H05.cdx
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>  <Mol_ID> (54)
2883

>  <Formula> (54)
C22H31ClF3N3O4S3

>  <MolWeight> (54)
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>  <Cat> (54)
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>  <Name> (54)
6H05

>  <Synonyms> (54)
N/A

>  <Target> (54)
Rho

>  <Form> (54)
Free Base

>  <CAS> (54)
No

>  <URL> (54)
http://www.selleckchem.com/products/6h05.html

$$$$
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>  <Mol_ID> (55)
2892

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C31H42FN3O12

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>  <Cat> (55)
S7312

>  <Name> (55)
Z-DEVD-FMK

>  <Synonyms> (55)
Caspase-3 Inhibitor

>  <Target> (55)
Caspase

>  <Form> (55)
Free Base

>  <CAS> (55)
210344-95-9

>  <URL> (55)
http://www.selleckchem.com/products/z-devd-fmk.html

$$$$
LM-3146 BAY 11-7085.cdx
csChFnd80/10282009562D

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>  <Mol_ID> (56)
2924

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Bay 11-7083

>  <Target> (56)
I¦ÊB/IKK

>  <Form> (56)
Free Base

>  <CAS> (56)
196309-76-9

>  <URL> (56)
http://www.selleckchem.com/products/bay-11-7085.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/10282009562D

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>  <Mol_ID> (57)
2966

>  <Formula> (57)
C23H21Cl2FN4O3

>  <MolWeight> (57)
491.3422432

>  <Cat> (57)
S7358

>  <Name> (57)
Poziotinib (HM781-36B)

>  <Synonyms> (57)
NOV120101

>  <Target> (57)
EGFR

>  <Form> (57)
Free Base

>  <CAS> (57)
1092364-38-9

>  <URL> (57)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
GSK-LSD1  dihydrochloride.cdx
csChFnd80/10282009562D

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>  <Mol_ID> (58)
2997

>  <Formula> (58)
C14H22Cl2N2

>  <MolWeight> (58)
289.24388

>  <Cat> (58)
S7574

>  <Name> (58)
GSK-LSD1 2HCl

>  <Synonyms> (58)
N/A

>  <Target> (58)
Histone Demethylase

>  <Form> (58)
Dihydrochloride

>  <CAS> (58)
1431368-48-7

>  <URL> (58)
http://www.selleckchem.com/products/gsk-lsd1-2hcl.html

$$$$
CL-387785.cdx
csChFnd80/10282009562D

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>  <Mol_ID> (59)
3011

>  <Formula> (59)
C18H13BrN4O

>  <MolWeight> (59)
381.22602

>  <Cat> (59)
S7557

>  <Name> (59)
CL-387785 (EKI-785)

>  <Synonyms> (59)
N/A

>  <Target> (59)
EGFR

>  <Form> (59)
Free Base

>  <CAS> (59)
194423-06-8

>  <URL> (59)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/10282009562D

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>  <Mol_ID> (60)
3024

>  <Formula> (60)
C32H33ClFN5O11

>  <MolWeight> (60)
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>  <Cat> (60)
S7810

>  <Name> (60)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (60)
N/A

>  <Target> (60)
EGFR

>  <Form> (60)
Dimaleate

>  <CAS> (60)
850140-73-7

>  <URL> (60)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
BVD-523.cdx
csChFnd80/10282009562D

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>  <Mol_ID> (61)
3056

>  <Formula> (61)
C21H22Cl2N4O2

>  <MolWeight> (61)
433.33098

>  <Cat> (61)
S7854

>  <Name> (61)
Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (61)
N/A

>  <Target> (61)
ERK

>  <Form> (61)
Free Base

>  <CAS> (61)
869886-67-9

>  <URL> (61)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
FIIN-2.cdx
csChFnd80/10282009562D

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>  <Mol_ID> (62)
3082

>  <Formula> (62)
C35H38N8O4

>  <MolWeight> (62)
634.72742

>  <Cat> (62)
S7714

>  <Name> (62)
FIIN-2

>  <Synonyms> (62)
N/A

>  <Target> (62)
FGFR

>  <Form> (62)
Free Base

>  <CAS> (62)
1633044-56-0

>  <URL> (62)
http://www.selleckchem.com/products/fiin-2.html

$$$$
Fumagillin.cdx
csChFnd80/10282009562D

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M  END
>  <Mol_ID> (63)
3096

>  <Formula> (63)
C26H34O7

>  <MolWeight> (63)
458.54396

>  <Cat> (63)
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>  <Name> (63)
Fumagillin

>  <Synonyms> (63)
N/A

>  <Target> (63)
Others

>  <Form> (63)
Free Base

>  <CAS> (63)
23110-15-8

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

$$$$
Z-VAD(OH)-FMK (Caspase Inhibitor VI).cdx
csChFnd80/10282009562D

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>  <Mol_ID> (64)
3118

>  <Formula> (64)
C21H28FN3O7

>  <MolWeight> (64)
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>  <Cat> (64)
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>  <Name> (64)
Z-VAD(OH)-FMK

>  <Synonyms> (64)
N/A

>  <Target> (64)
Caspase

>  <Form> (64)
Free Base

>  <CAS> (64)
161401-82-7

>  <URL> (64)
http://www.selleckchem.com/products/z-vad(oh)-fmk.html

$$$$
GSK2879552.cdx
csChFnd80/10282009562D

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  1  2  2  0  0  0  0
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 17 12  1  0  0  0  0
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M  END
>  <Mol_ID> (65)
3124

>  <Formula> (65)
C23H30Cl2N2O2

>  <MolWeight> (65)
437.4025

>  <Cat> (65)
S7796

>  <Name> (65)
GSK2879552 2HCl

>  <Synonyms> (65)
N/A

>  <Target> (65)
Histone Demethylase

>  <Form> (65)
Dihydrochloride

>  <CAS> (65)
1401966-69-5

>  <URL> (65)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

$$$$
Acalabrutinib.cdx
csChFnd80/10282009562D

 35 39  0  0  0  0  0  0  0  0999 V2000
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    6.7943    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3617    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1846    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6152    4.5660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9676    2.9960    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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 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
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  3 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
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 33 34  3  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (66)
3153

>  <Formula> (66)
C26H23N7O2

>  <MolWeight> (66)
465.50652

>  <Cat> (66)
S8116

>  <Name> (66)
Acalabrutinib (ACP-196)

>  <Synonyms> (66)
N/A

>  <Target> (66)
BTK

>  <Form> (66)
Free Base

>  <CAS> (66)
1420477-60-6

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

$$$$
S4582 Eflornithine  hydrochloride  hydrate.cdx
csChFnd80/10282009562D

 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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    1.2124    4.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (67)
3217

>  <Formula> (67)
C6H15ClF2N2O3

>  <MolWeight> (67)
236.6447064

>  <Cat> (67)
S4582

>  <Name> (67)
Eflornithine hydrochloride hydrate

>  <Synonyms> (67)
Difluoromethylornithine hydrochloride hydrate

>  <Target> (67)
Decarboxylase

>  <Form> (67)
hydrochloride hydrate

>  <CAS> (67)
96020-91-6

>  <URL> (67)
http://www.selleckchem.com/products/eflornithine-hydrochloride-hydrate.html

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/10282009562D

 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
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    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
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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
  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
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 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
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 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
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 28 30  1  0  0  0  0
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 36 31  1  0  0  0  0
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 32 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (68)
3237

>  <Formula> (68)
C26H27F4N3O7

>  <MolWeight> (68)
569.5020928

>  <Cat> (68)
S7775

>  <Name> (68)
Emricasan (IDN-6556, PF-03491390)

>  <Synonyms> (68)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (68)
Caspase

>  <Form> (68)
Free Base

>  <CAS> (68)
254750-02-2

>  <URL> (68)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

$$$$
Epoxomicin.cdx
csChFnd80/10282009562D

 39 39  0  0  0  0  0  0  0  0999 V2000
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   14.1608    2.7855    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (69)
3251

>  <Formula> (69)
C28H50N4O7

>  <MolWeight> (69)
554.7192

>  <Cat> (69)
S7038

>  <Name> (69)
Epoxomicin (BU-4061T)

>  <Synonyms> (69)
N/A

>  <Target> (69)
Proteasome

>  <Form> (69)
Free Base

>  <CAS> (69)
134381-21-8

>  <URL> (69)
http://www.selleckchem.com/products/epoxomicin-bu-4061t.html

$$$$
CFSE.cdx
csChFnd80/10282009562D

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M  END
>  <Mol_ID> (70)
3283

>  <Formula> (70)
C58H38N2O22

>  <MolWeight> (70)
1114.92252

>  <Cat> (70)
S8269

>  <Name> (70)
CFSE

>  <Synonyms> (70)
N/A

>  <Target> (70)
Others

>  <Form> (70)
Free Base

>  <CAS> (70)
150347-59-4

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

$$$$
CA-074 methyl ester.cdx
csChFnd80/10282009562D

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M  END
>  <Mol_ID> (71)
3326

>  <Formula> (71)
C19H31N3O6

>  <MolWeight> (71)
397.46594

>  <Cat> (71)
S7420

>  <Name> (71)
CA-074 methyl ester (CA-074 Me)

>  <Synonyms> (71)
Cathepsin B Inhibitor IV

>  <Target> (71)
Cysteine Protease

>  <Form> (71)
Free Base

>  <CAS> (71)
147859-80-1

>  <URL> (71)
http://www.selleckchem.com/products/ca-074-methyl-ester.html

$$$$
Etomoxir (Na salt).cdx
csChFnd80/10282009562D

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M  END
>  <Mol_ID> (72)
3330

>  <Formula> (72)
C15H18ClNaO4

>  <MolWeight> (72)
320.74379

>  <Cat> (72)
S8244

>  <Name> (72)
Etomoxir (Na salt)

>  <Synonyms> (72)
N/A

>  <Target> (72)
Transferase

>  <Form> (72)
sodium salt

>  <CAS> (72)
828934-41-4

>  <URL> (72)
http://www.selleckchem.com/products/etomoxir-na-salt.html

$$$$
THZ1.cdx
csChFnd80/10282009562D

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M  END
>  <Mol_ID> (73)
3348

>  <Formula> (73)
C31H30Cl3N7O2

>  <MolWeight> (73)
638.9746

>  <Cat> (73)
S7549

>  <Name> (73)
THZ1 2HCl

>  <Synonyms> (73)
N/A

>  <Target> (73)
CDK

>  <Form> (73)
dihydrochloride

>  <CAS> (73)
1604810-83-4(free base)

>  <URL> (73)
http://www.selleckchem.com/products/thz1.html

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/10282009562D

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>  <Mol_ID> (74)
3385

>  <Formula> (74)
C30H42N8O3

>  <MolWeight> (74)
562.70628

>  <Cat> (74)
S8412

>  <Name> (74)
ASP8273 (Naquotinib)

>  <Synonyms> (74)
N/A

>  <Target> (74)
EGFR

>  <Form> (74)
Free Base

>  <CAS> (74)
1448232-80-1

>  <URL> (74)
http://www.selleckchem.com/products/naquotinib-asp8273.html

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/10282009562D

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>  <Name> (75)
ONO-4059 (GS-4059) hydrochloride

>  <Synonyms> (75)
N/A

>  <Target> (75)
BTK

>  <Form> (75)
hydrochloride

>  <CAS> (75)
1439901-97-9

>  <URL> (75)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
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3402

>  <Formula> (76)
C26H31ClN6O2

>  <MolWeight> (76)
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>  <Cat> (76)
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>  <Name> (76)
Nazartinib (EGF816, NVS-816)

>  <Synonyms> (76)
N/A

>  <Target> (76)
EGFR

>  <Form> (76)
Free Base

>  <CAS> (76)
1508250-71-2

>  <URL> (76)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
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>  <Formula> (77)
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S8141

>  <Name> (77)
Cl-amidine

>  <Synonyms> (77)
N/A

>  <Target> (77)
Immunology & Inflammation related

>  <Form> (77)
trifluoroacetate

>  <CAS> (77)
1043444-18-3

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

$$$$
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>  <Mol_ID> (78)
3428

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>  <Name> (78)
ARS-853 (ARS853)

>  <Synonyms> (78)
N/A

>  <Target> (78)
K-Ras(G12C)

>  <Form> (78)
free base

>  <CAS> (78)
1629268-00-3

>  <URL> (78)
http://www.selleckchem.com/products/ars-853.html

$$$$
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C12H13ClO2

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INF39

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>  <Target> (79)
NLRP3 

>  <Form> (79)
free base

>  <CAS> (79)
866028-26-4

>  <URL> (79)
http://www.selleckchem.com/products/inf39.html

$$$$
PRN1371.cdx
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>  <Mol_ID> (80)
3473

>  <Formula> (80)
C26H30Cl2N6O4

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>  <Cat> (80)
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>  <Name> (80)
PRN1371

>  <Synonyms> (80)
N/A

>  <Target> (80)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (80)
free base

>  <CAS> (80)
1802929-43-6

>  <URL> (80)
http://www.selleckchem.com/products/prn1371.html

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/10282009562D

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>  <Mol_ID> (81)
3507

>  <Formula> (81)
C12H8ClI

>  <MolWeight> (81)
314.54939

>  <Cat> (81)
S8639

>  <Name> (81)
Diphenyleneiodonium chloride (DPI)

>  <Synonyms> (81)
N/A

>  <Target> (81)
NADPH oxidase

>  <Form> (81)
chloride

>  <CAS> (81)
4673-26-1

>  <URL> (81)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

$$$$
FM-381.cdx
csChFnd80/10282009562D

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>  <Mol_ID> (82)
3519

>  <Formula> (82)
C24H24N6O2

>  <MolWeight> (82)
428.48636

>  <Cat> (82)
S8541

>  <Name> (82)
FM-381

>  <Synonyms> (82)
N/A

>  <Target> (82)
JAK3

>  <Form> (82)
free base

>  <CAS> (82)
No

>  <URL> (82)
http://www.selleckchem.com/products/fm-381.html

$$$$
H3B-6527.cdx
csChFnd80/10282009562D

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>  <Mol_ID> (83)
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C29H34Cl2N8O4

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 38 40  2  0  0  0  0
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M  END
>  <Mol_ID> (88)
4079

>  <Formula> (88)
C30H34N8O3

>  <MolWeight> (88)
554.64276

>  <Cat> (88)
S8724

>  <Name> (88)
Lazertinib (YH25448,GNS-1480)

>  <Form> (88)
free base

>  <CAS> (88)
1903008-80-9

$$$$

csChFnd80/10282009562D

 36 40  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (89)
4266

>  <Formula> (89)
C26H26FN7O2

>  <MolWeight> (89)
487.5287432

>  <Cat> (89)
S8741

>  <Name> (89)
Avitinib (AC0010)

>  <Synonyms> (89)
N/A

>  <Target> (89)
EGFR

>  <Form> (89)
Free Base

>  <CAS> (89)
1557267-42-1

>  <URL> (89)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/10282009562D

 46 50  0  0  0  0  0  0  0  0999 V2000
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   10.9159    5.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7052    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3438    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9824    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7912    5.0576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   18.1996    4.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.2695    7.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  9  1  0  0  0  0
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 44 45  2  0  0  0  0
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M  END
>  <Mol_ID> (90)
4292

>  <Formula> (90)
C38H46O8

>  <MolWeight> (90)
630.76704

>  <Cat> (90)
S9031

>  <Name> (90)
Gambogenic acid

>  <Form> (90)
free base

>  <CAS> (90)
173932-75-7

$$$$

csChFnd80/10282009562D

 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (91)
4730

>  <Formula> (91)
C29H37N7O5S

>  <MolWeight> (91)
595.71298

>  <Cat> (91)
S5078

>  <Name> (91)
Osimertinib mesylate

>  <Synonyms> (91)
AZD9291 mesylate

>  <Target> (91)
EGFR

>  <Form> (91)
mesylate

>  <CAS> (91)
1421373-66-1

>  <URL> (91)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/10282009562D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4224    2.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.5864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4224    3.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    1.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5685    2.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2192    0.2589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    4.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5833    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5063    1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4312    2.1234    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  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  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  7  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  3  0  0  0  0
M  END
>  <Mol_ID> (92)
4831

>  <Formula> (92)
C12H13N

>  <MolWeight> (92)
171.23832

>  <Cat> (92)
S5795

>  <Name> (92)
Rasagiline

>  <Synonyms> (92)
TVP-1012

>  <Target> (92)
MAO

>  <Form> (92)
Free Base

>  <CAS> (92)
136236-51-6

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

$$$$

csChFnd80/10282009562D

 32 35  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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
    4.8497    4.9000    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 N   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
   10.9119    2.8000    0.0000 C   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
   13.3368    2.8000    0.0000 N   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 C   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 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    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
   14.5492    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  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
 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
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 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 19  1  0  0  0  0
 23 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
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
M  END
>  <Mol_ID> (93)
4867

>  <Formula> (93)
C25H27N5O2

>  <MolWeight> (93)
429.51418

>  <Cat> (93)
S8777

>  <Name> (93)
Evobrutinib

>  <Synonyms> (93)
M-2951, MSC-2364447C

>  <Target> (93)
BTK

>  <Form> (93)
Free Base

>  <CAS> (93)
1415823-73-2

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

$$$$

csChFnd80/10282009562D

 33 35  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    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
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   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
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 N   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
    0.5124    2.9876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.4124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 O   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
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 13 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 13  1  0  0  0  0
 15 20  1  0  0  0  0
 18 24  1  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 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 26 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (94)
4870

>  <Formula> (94)
C22H21F3N6O2

>  <MolWeight> (94)
458.4363496

>  <Cat> (94)
S8801

>  <Name> (94)
CC-90003

>  <Synonyms> (94)
N/A

>  <Target> (94)
ERK

>  <Form> (94)
Free Base

>  <CAS> (94)
1621999-82-3

>  <URL> (94)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/10282009562D

 20 19  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    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
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  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  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (95)
5089

>  <Formula> (95)
C16H30O4

>  <MolWeight> (95)
286.407

>  <Cat> (95)
S6147

>  <Name> (95)
Hexadecanedioic acid

>  <Synonyms> (95)
Thapsic acid, Hexadecanedioate, Palmitic acid

>  <Target> (95)
Others

>  <Form> (95)
free base

>  <CAS> (95)
505-54-4

>  <URL> (95)
http://www.selleck.cn/products/hexadecanedioic-acid.html

$$$$

csChFnd80/10282009562D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6572    2.0883    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4515    2.7999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6438    0.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8763    2.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325    2.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4649    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8897    4.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    2.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2191    0.7116    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0232    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  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  1  0  0  0
M  END
>  <Mol_ID> (96)
5294

>  <Formula> (96)
C10H20O

>  <MolWeight> (96)
156.2652

>  <Cat> (96)
S5868

>  <Name> (96)
DL-Menthol

>  <Synonyms> (96)
N/A

>  <Target> (96)
Others

>  <Form> (96)
Free Base

>  <CAS> (96)
89-78-1

>  <URL> (96)
http://www.selleck.cn/products/dl-menthol.html

$$$$

csChFnd80/10282009562D

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.5536    2.2306    0.0000 O   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
    7.4210    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.2710    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
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    3.1246    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.4521    1.8457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7056    4.2573    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 I   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
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  5  9  1  0  0  0  0
 12 13  1  0  0  0  0
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>  <Mol_ID> (97)
6714

>  <Formula> (97)
C11H7IN2O4

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>  <Cat> (97)
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>  <Name> (97)
C-176 STING inhibitor

>  <Synonyms> (97)
N/A

>  <Target> (97)
Others

>  <Form> (97)
free base

>  <CAS> (97)
314054-00-7

>  <URL> (97)
http://www.selleck.cn/products/c-176-sting-inhibitor.html

$$$$

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>  <Mol_ID> (98)
6737

>  <Formula> (98)
C31H34N4O2

>  <MolWeight> (98)
494.62726

>  <Cat> (98)
S8746

>  <Name> (98)
H3B-5942

>  <Synonyms> (98)
N/A

>  <Target> (98)
Estrogen/progestogen

>  <Form> (98)
free base

>  <CAS> (98)
2052128-15-9

>  <URL> (98)
http://www.selleck.cn/products/h3b-5942.html

$$$$

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>  <Mol_ID> (99)
6778

>  <Formula> (99)
C30H32ClN7O2

>  <MolWeight> (99)
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>  <Cat> (99)
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>  <Name> (99)
THZ531

>  <Synonyms> (99)
N/A

>  <Target> (99)
CDK

>  <Form> (99)
Free Base

>  <CAS> (99)
1702809-17-3

>  <URL> (99)
http://www.selleck.cn/products/thz531.html

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>  <Formula> (100)
C36H32N6O3

>  <MolWeight> (100)
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>  <Cat> (100)
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>  <Name> (100)
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>  <Synonyms> (100)
N/A

>  <Target> (100)
Akt

>  <Form> (100)
Free Base

>  <CAS> (100)
1800070-77-2

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

$$$$

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 32 35  0  0  0  0  0  0  0  0999 V2000
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   12.4435    5.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0729    6.2844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9252    7.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995    8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    7.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4871    9.6222    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.4986   10.6107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8157   10.0572    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5348    7.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    7.6871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2878    5.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6481    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2106    7.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    7.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3832    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  3  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  1  5  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 17  1  0  0  0  0
 12 17  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  2  0  0  0  0
 22 25  1  0  0  0  0
 18 19  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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 29 32  1  0  0  0  0
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 15 18  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
>  <Mol_ID> (106)
7079

>  <Formula> (106)
C22H20Cl2N4O4

>  <MolWeight> (106)
475.3246

>  <Cat> (106)
S0788

>  <Name> (106)
ML210

>  <Synonyms> (106)
CID 49766530

>  <Target> (106)
Glutathione Peroxida

>  <Form> (106)
Free Base

>  <CAS> (106)
1360705-96-9

>  <URL> (106)
http://www.selleckchem.com/products/ml210.html

$$$$

csChFnd80/10282009562D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    9.1311    2.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3 17  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
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  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 17  1  0  0  0  0
 11 15  2  0  0  0  0
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 16 20  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (107)
7090

>  <Formula> (107)
C17H15ClN2

>  <MolWeight> (107)
282.7674

>  <Cat> (107)
S6790

>  <Name> (107)
Ellipticine hydrochloride

>  <Synonyms> (107)
NSC 71795 hydrochloride, PZE

>  <Target> (107)
P450 (e.g. CYP17)

>  <Form> (107)
Hydrochloride

>  <CAS> (107)
5081-48-1

>  <URL> (107)
http://www.selleckchem.com/products/ellipticine-hydrochloride.html

$$$$

csChFnd80/10282009562D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    9.7462    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (108)
7183

>  <Formula> (108)
C14H10F2N6

>  <MolWeight> (108)
300.2662064

>  <Cat> (108)
S0722

>  <Name> (108)
Cruzain-IN-1

>  <Target> (108)
Cysteine Protease

>  <Form> (108)
free base

>  <CAS> (108)
1199523-24-4

>  <URL> (108)
http://www.selleckchem.com/products/cruzain-in-1.html

$$$$

csChFnd80/10282009562D

 37 39  0  0  0  0  0  0  0  0999 V2000
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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 22  1  0  0  0  0
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 30 35  1  0  0  0  0
 29 36  1  0  0  0  0
M  END
>  <Mol_ID> (109)
7306

>  <Formula> (109)
C28H23Cl5N2O2

>  <MolWeight> (109)
596.75942

>  <Cat> (109)
S6851

>  <Name> (109)
RA-190

>  <Target> (109)
Proteasome

>  <Form> (109)
free base

>  <CAS> (109)
1617495-03-0

>  <URL> (109)
http://www.selleckchem.com/products/ra-190.html

$$$$
