untitled.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (1)
8

>  <Formula> (1)
C19H25BN4O4

>  <MolWeight> (1)
384.2372

>  <Cat> (1)
S1013

>  <Name> (1)
Bortezomib (PS-341)

>  <Synonyms> (1)
Velcade, LDP-341, MLM341, NSC 681239,PS-341

>  <Target> (1)
Autophagy,Cathepsin B,Cysteine Protease,ERK,NF-¦ÊB,Proteasome

>  <Form> (1)
Free Base

>  <CAS> (1)
179324-69-7

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

$$$$
untitled.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (2)
13

>  <Formula> (2)
C53H84NO14P

>  <MolWeight> (2)
990.206121

>  <Cat> (2)
S1022

>  <Name> (2)
Ridaforolimus (Deforolimus, MK-8669)

>  <Synonyms> (2)
AP23573

>  <Target> (2)
FKBP,mTOR

>  <Form> (2)
free base

>  <CAS> (2)
572924-54-0

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

$$$$
untitled.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (3)
18

>  <Formula> (3)
C13H13N3O3

>  <MolWeight> (3)
259.26062

>  <Cat> (3)
S1029

>  <Name> (3)
Lenalidomide (CC-5013)

>  <Synonyms> (3)
CC-5013

>  <Target> (3)
Apoptosis related,Caspase,E3 Ligase ,E3 ligase Ligand,TNF-alpha,VEGFR

>  <Form> (3)
free base

>  <CAS> (3)
191732-72-6

>  <URL> (3)
https://www.selleckchem.com/products/lenalidomide-s1029.html

$$$$
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csChFnd80/03272410542D

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M  END
>  <Mol_ID> (4)
26

>  <Formula> (4)
C19H16N4O3

>  <MolWeight> (4)
348.35534

>  <Cat> (4)
S1038

>  <Name> (4)
PI-103

>  <Synonyms> (4)
N/A

>  <Target> (4)
Apoptosis related,Autophagy,DNA-PK,mTOR,PI3K

>  <Form> (4)
free base

>  <CAS> (4)
371935-74-9

>  <URL> (4)
http://selleckchem.com/products/PI-103.html

$$$$
RAPAMYCIN.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (5)
27

>  <Formula> (5)
C51H79NO13

>  <MolWeight> (5)
914.17186

>  <Cat> (5)
S1039

>  <Name> (5)
Rapamycin (AY-22989)

>  <Synonyms> (5)
Rapamune, Sirolimus, NSC-2260804,AY-22989

>  <Target> (5)
Antineoplastic and Immunosuppressive Antibiotics,Autophagy,mTOR

>  <Form> (5)
free base

>  <CAS> (5)
53123-88-9

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

$$$$
nutlin-3.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (6)
39

>  <Formula> (6)
C30H30Cl2N4O4

>  <MolWeight> (6)
581.4896

>  <Cat> (6)
S1061

>  <Name> (6)
Nutlin-3

>  <Synonyms> (6)
N/A

>  <Target> (6)
E3 Ligase ,MDM2/MDMX

>  <Form> (6)
free base

>  <CAS> (6)
890090-75-2

>  <URL> (6)
http://selleckchem.com/products/Nutlin-3.html

$$$$
Everolimus.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (7)
74

>  <Formula> (7)
C53H83NO14

>  <MolWeight> (7)
958.22442

>  <Cat> (7)
S1120

>  <Name> (7)
Everolimus (RAD001)

>  <Synonyms> (7)
RAD001,SDZ-RAD, Afinitor

>  <Target> (7)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (7)
free base

>  <CAS> (7)
159351-69-6

>  <URL> (7)
http://selleckchem.com/products/Everolimus(RAD001).html

$$$$
untitled.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (8)
101

>  <Formula> (8)
C21H20N4

>  <MolWeight> (8)
328.4103

>  <Cat> (8)
S1172

>  <Name> (8)
Serdemetan (JNJ-26854165)

>  <Synonyms> (8)
N/A

>  <Target> (8)
E3 Ligase ,p53

>  <Form> (8)
free base

>  <CAS> (8)
881202-45-5

>  <URL> (8)
http://selleckchem.com/products/JNJ-26854165.html

$$$$
XAV-939.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (9)
108

>  <Formula> (9)
C14H11F3N2OS

>  <MolWeight> (9)
312.3101496

>  <Cat> (9)
S1180

>  <Name> (9)
XAV-939

>  <Synonyms> (9)
NVP-XAV939

>  <Target> (9)
PARP,Wnt/beta-catenin

>  <Form> (9)
free base

>  <CAS> (9)
284028-89-3

>  <URL> (9)
http://selleckchem.com/products/XAV-939.html

$$$$
KU-0063794.cdx
csChFnd80/03272410542D

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mTOR

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free base

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938440-64-3

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mTOR

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free base

>  <CAS> (11)
1062169-56-5

>  <URL> (11)
http://selleckchem.com/products/WYE-354.html

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Apoptosis related,Autophagy,Mitophagy,Proteasome

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free base

>  <CAS> (12)
34157-83-0

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

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mTOR

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free base

>  <CAS> (13)
914913-88-5

>  <URL> (13)
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    9.7976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4976    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7976    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3976    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8927    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5903    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8927    0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9854    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7854    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0854    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6854    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7830    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1830    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1806    1.2124    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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  1  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 24  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 38 43  1  0  0  0  0
M  END
>  <Mol_ID> (14)
314

>  <Formula> (14)
C31H29N5O6S

>  <MolWeight> (14)
599.65686

>  <Cat> (14)
S1523

>  <Name> (14)
Voxtalisib (XL765) Analogue

>  <Synonyms> (14)
SAR245409

>  <Target> (14)
mTOR,PI3K

>  <Form> (14)
free base

>  <CAS> (14)
1349796-36-6

>  <URL> (14)
http://selleckchem.com/products/XL765(SAR245409).html

$$$$
AZD 8055.cdx
csChFnd80/03272410542D

 34 38  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.9927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9035    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2951    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
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 13 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 14  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
 28 33  1  6  0  0  0
 22 34  1  6  0  0  0
M  END
>  <Mol_ID> (15)
335

>  <Formula> (15)
C25H31N5O4

>  <MolWeight> (15)
465.54474

>  <Cat> (15)
S1555

>  <Name> (15)
AZD8055

>  <Synonyms> (15)
N/A

>  <Target> (15)
Apoptosis related,Autophagy,mTOR

>  <Form> (15)
free base

>  <CAS> (15)
1009298-09-2

>  <URL> (15)
http://selleckchem.com/products/AZD8055.html

$$$$
ALVESCO (ciclesonide).cdx
csChFnd80/03272410542D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.4595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.2546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.9190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.4595    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6744    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    1.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9768    0.0388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    2.4595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 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 13  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (16)
343

>  <Formula> (16)
C13H11N3O4

>  <MolWeight> (16)
273.24414

>  <Cat> (16)
S1567

>  <Name> (16)
Pomalidomide (CC-4047)

>  <Synonyms> (16)
CC-4047

>  <Target> (16)
Apoptosis related,E3 Ligase ,E3 ligase Ligand,TNF-alpha

>  <Form> (16)
free base

>  <CAS> (16)
19171-19-8

>  <URL> (16)
http://selleckchem.com/products/Pomalidomide(CC-4047).html

$$$$
APRISO (mesalamine).cdx
csChFnd80/03272410542D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (17)
406

>  <Formula> (17)
C7H7NO3

>  <MolWeight> (17)
153.13538

>  <Cat> (17)
S1681

>  <Name> (17)
Mesalamine (5-ASA)

>  <Synonyms> (17)
5-Aminosalicylic acid, 5-ASA, Mesalazine, Apriso, Asacol, Pentasa, Canasa

>  <Target> (17)
Immunology & Inflammation related,I¦ÊB/IKK

>  <Form> (17)
free base

>  <CAS> (17)
89-57-6

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

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/03272410542D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (18)
451

>  <Formula> (18)
C5H5N5S

>  <MolWeight> (18)
167.1917

>  <Cat> (18)
S1774

>  <Name> (18)
Thioguanine (NSC 752)

>  <Synonyms> (18)
NSC 752,6-Thioguanine, 2-Amino-6-purinethiol

>  <Target> (18)
DNA Methyltransferase

>  <Form> (18)
free base

>  <CAS> (18)
154-42-7

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

$$$$

csChFnd80/03272410542D

 47 51  0  0  0  0  0  0  0  0999 V2000
    1.2389    8.9997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3396    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0081    6.0472    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070    4.2831    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6710    5.1819    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1094    9.6279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3219   10.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6224   11.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312   10.3584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8349   12.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4099   12.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389   10.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8349   13.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0472   11.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3695   11.4910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4099   13.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6224   14.5279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0472   14.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2596   12.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2596   13.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2680    9.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8355    7.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375    9.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7722    6.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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550

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C32H29F3N6O6

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>  <Name> (19)
BGT226 (NVP-BGT226) maleate

>  <Synonyms> (19)
N/A

>  <Target> (19)
mTOR,PI3K

>  <Form> (19)
maleate

>  <CAS> (19)
1245537-68-1

>  <URL> (19)
http://selleckchem.com/products/nvp-bgt226.html

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>  <Mol_ID> (20)
559

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>  <MolWeight> (20)
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>  <Cat> (20)
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>  <Name> (20)
BX-795

>  <Synonyms> (20)
N/A

>  <Target> (20)
Autophagy,I¦ÊB/IKK,PDPK1,TBK1

>  <Form> (20)
free base

>  <CAS> (20)
702675-74-9

>  <URL> (20)
http://selleckchem.com/products/bx-795.html

$$$$
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>  <Mol_ID> (21)
561

>  <Formula> (21)
C21H28BN3O5

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>  <Cat> (21)
S1157

>  <Name> (21)
Delanzomib (CEP-18770)

>  <Synonyms> (21)
N/A

>  <Target> (21)
Proteasome

>  <Form> (21)
free base

>  <CAS> (21)
847499-27-8

>  <URL> (21)
http://selleckchem.com/products/cep-18770.html

$$$$
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>  <Mol_ID> (22)
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>  <Formula> (22)
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>  <Cat> (22)
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>  <Name> (22)
RITA (NSC 652287)

>  <Synonyms> (22)
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>  <Target> (22)
E3 Ligase ,p53

>  <Form> (22)
free base

>  <CAS> (22)
213261-59-7

>  <URL> (22)
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>  <Mol_ID> (23)
581

>  <Formula> (23)
C25H30N6O3

>  <MolWeight> (23)
462.5441

>  <Cat> (23)
S2783

>  <Name> (23)
Vistusertib (AZD2014)

>  <Synonyms> (23)
N/A

>  <Target> (23)
Apoptosis related,Autophagy,mTOR

>  <Form> (23)
free base

>  <CAS> (23)
1009298-59-2

>  <URL> (23)
http://selleckchem.com/products/azd2014.html

$$$$
VISUDYNE (verteporfin).cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (24)
604

>  <Formula> (24)
C41H42N4O8

>  <MolWeight> (24)
718.79418

>  <Cat> (24)
S1786

>  <Name> (24)
Verteporfin (CL 318952)

>  <Synonyms> (24)
CL 318952, Visudyne

>  <Target> (24)
Apoptosis related,Autophagy,TEAD,VDA,YAP

>  <Form> (24)
free base

>  <CAS> (24)
129497-78-5

>  <URL> (24)
http://selleckchem.com/products/Verteporfin(Visudyne).html

$$$$
Torin 2.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (25)
611

>  <Formula> (25)
C24H15F3N4O

>  <MolWeight> (25)
432.3973096

>  <Cat> (25)
S2817

>  <Name> (25)
Torin 2

>  <Synonyms> (25)
N/A

>  <Target> (25)
Apoptosis related,ATM/ATR,Autophagy,DNA-PK,mTOR

>  <Form> (25)
free base

>  <CAS> (25)
1223001-51-1

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

$$$$
MLN2238.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (26)
656

>  <Formula> (26)
C14H19BCl2N2O4

>  <MolWeight> (26)
361.02866

>  <Cat> (26)
S2180

>  <Name> (26)
Ixazomib (MLN2238)

>  <Synonyms> (26)
N/A

>  <Target> (26)
Autophagy,Proteasome

>  <Form> (26)
Free Base

>  <CAS> (26)
1072833-77-2

>  <URL> (26)
http://selleckchem.com/products/MLN-2238.html

$$$$
MLN9708.cdx
csChFnd80/03272410542D

 34 35  0  0  0  0  0  0  0  0999 V2000
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 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 15  1  0  0  0  0
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M  END
>  <Mol_ID> (27)
660

>  <Formula> (27)
C20H23BCl2N2O9

>  <MolWeight> (27)
517.12162

>  <Cat> (27)
S2181

>  <Name> (27)
Ixazomib Citrate (MLN9708) Analogue

>  <Synonyms> (27)
N/A

>  <Target> (27)
Autophagy,Proteasome

>  <Form> (27)
free base

>  <CAS> (27)
1201902-80-8

>  <URL> (27)
http://selleckchem.com/products/MLN9708.html

$$$$
PP442.cdx
csChFnd80/03272410542D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
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 22 17  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (28)
679

>  <Formula> (28)
C16H16N6O

>  <MolWeight> (28)
308.33784

>  <Cat> (28)
S2218

>  <Name> (28)
Torkinib (PP242)

>  <Synonyms> (28)
N/A

>  <Target> (28)
Apoptosis related,Autophagy,Mitophagy,mTOR

>  <Form> (28)
free base

>  <CAS> (28)
1092351-67-1

>  <URL> (28)
http://selleckchem.com/products/PP242.html

$$$$
Andrographolide.cdx
csChFnd80/03272410542D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    3.2647    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.6896    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  1 11  1  6  0  0  0
  4 12  1  6  0  0  0
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 10 14  1  6  0  0  0
 13 15  1  0  0  0  0
  9 16  2  0  0  0  0
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 17 18  2  0  0  0  0
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  2 25  1  1  0  0  0
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M  END
>  <Mol_ID> (29)
688

>  <Formula> (29)
C20H30O5

>  <MolWeight> (29)
350.4492

>  <Cat> (29)
S2261

>  <Name> (29)
Andrographolide

>  <Synonyms> (29)
N/A

>  <Target> (29)
NF-¦ÊB

>  <Form> (29)
free base

>  <CAS> (29)
5508-58-7

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

$$$$
Indole-3-carbinol.cdx
csChFnd80/03272410542D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (30)
727

>  <Formula> (30)
C9H9NO

>  <MolWeight> (30)
147.17386

>  <Cat> (30)
S2313

>  <Name> (30)
Indole-3-carbinol

>  <Synonyms> (30)
N/A

>  <Target> (30)
NF-¦ÊB

>  <Form> (30)
free base

>  <CAS> (30)
700-06-1

>  <URL> (30)
http://selleckchem.com/products/Indole-3-carbinol.html

$$$$
Magnolol.cdx
csChFnd80/03272410542D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
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  3 16  1  0  0  0  0
  9 17  1  0  0  0  0
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 18 19  2  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (31)
733

>  <Formula> (31)
C18H18O2

>  <MolWeight> (31)
266.33432

>  <Cat> (31)
S2321

>  <Name> (31)
Magnolol

>  <Synonyms> (31)
NSC 293099

>  <Target> (31)
Fungal,NF-¦ÊB

>  <Form> (31)
free base

>  <CAS> (31)
528-43-8

>  <URL> (31)
http://selleckchem.com/products/Magnolol(2,2-Bichavicol).html

$$$$
Parthenolide.cdx
csChFnd80/03272410542D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.2124    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (32)
748

>  <Formula> (32)
C15H20O3

>  <MolWeight> (32)
248.3175

>  <Cat> (32)
S2341

>  <Name> (32)
(-)-Parthenolide

>  <Synonyms> (32)
N/A

>  <Target> (32)
HDAC,MDM2/MDMX,NF-¦ÊB,p53

>  <Form> (32)
free base

>  <CAS> (32)
20554-84-1

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

$$$$
Chrysophanic acid.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (33)
762

>  <Formula> (33)
C15H10O4

>  <MolWeight> (33)
254.2375

>  <Cat> (33)
S2406

>  <Name> (33)
Chrysophanic Acid

>  <Synonyms> (33)
Chrysophanol

>  <Target> (33)
EGFR,mTOR

>  <Form> (33)
free base

>  <CAS> (33)
481-74-3

>  <URL> (33)
http://selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
GSK2126458.cdx
csChFnd80/03272410542D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (34)
802

>  <Formula> (34)
C25H17F2N5O3S

>  <MolWeight> (34)
505.4959864

>  <Cat> (34)
S2658

>  <Name> (34)
Omipalisib (GSK2126458)

>  <Synonyms> (34)
GSK458

>  <Target> (34)
Autophagy,mTOR,PI3K

>  <Form> (34)
free base

>  <CAS> (34)
1086062-66-9

>  <URL> (34)
http://selleckchem.com/products/gsk2126458.html

$$$$
TAME.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (35)
835

>  <Formula> (35)
C14H22N4O4S

>  <MolWeight> (35)
342.41388

>  <Cat> (35)
S2225

>  <Name> (35)
TAME

>  <Synonyms> (35)
N/A

>  <Target> (35)
APC,E3 Ligase 

>  <Form> (35)
free base

>  <CAS> (35)
901-47-3

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

$$$$
MG132.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (36)
844

>  <Formula> (36)
C26H41N3O5

>  <MolWeight> (36)
475.62084

>  <Cat> (36)
S2619

>  <Name> (36)
MG132

>  <Synonyms> (36)
(S,R,S)-(-)-MG-132, Z-Leu-D-Leu-Leu-al

>  <Target> (36)
Proteasome

>  <Form> (36)
free base

>  <CAS> (36)
1211877-36-9

>  <URL> (36)
http://selleckchem.com/products/MG132.html

$$$$
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845

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>  <Target> (37)
Autophagy,mTOR

>  <Form> (37)
free base

>  <CAS> (37)
936890-98-1

>  <URL> (37)
http://selleckchem.com/products/OSI027.html

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csChFnd80/03272410542D

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846

>  <Formula> (38)
C17H17N7

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319.36378

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>  <Name> (38)
PP121

>  <Synonyms> (38)
N/A

>  <Target> (38)
Bcr-Abl,DNA-PK,mTOR,PDGFR,Src,VEGFR

>  <Form> (38)
free base

>  <CAS> (38)
1092788-83-4

>  <URL> (38)
http://selleckchem.com/products/PP121.html

$$$$
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882

>  <Formula> (39)
C28H30N8O

>  <MolWeight> (39)
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>  <Cat> (39)
S2689

>  <Name> (39)
WAY-600

>  <Synonyms> (39)
N/A

>  <Target> (39)
mTOR

>  <Form> (39)
free base

>  <CAS> (39)
1062159-35-6

>  <URL> (39)
http://selleckchem.com/products/way-600.html

$$$$
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csChFnd80/03272410542D

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 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <Mol_ID> (40)
883

>  <Formula> (40)
C27H33N7O4

>  <MolWeight> (40)
519.59542

>  <Cat> (40)
S2661

>  <Name> (40)
WYE-125132 (WYE-132)

>  <Synonyms> (40)
N/A

>  <Target> (40)
mTOR

>  <Form> (40)
free base

>  <CAS> (40)
1144068-46-1

>  <URL> (40)
http://selleckchem.com/products/wye-125132.html

$$$$
Curcumin.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (41)
894

>  <Formula> (41)
C21H20O6

>  <MolWeight> (41)
368.3799

>  <Cat> (41)
S1848

>  <Name> (41)
Curcumin

>  <Synonyms> (41)
Diferuloylmethane, Natural Yellow 3, Turmeric yellow

>  <Target> (41)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Ferroptosis,HCV,HDAC,Histone Acetyltransferase,HIV,Influenza Virus,NF-¦ÊB,Nrf2

>  <Form> (41)
free base

>  <CAS> (41)
458-37-7

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

$$$$
ICG001.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (42)
901

>  <Formula> (42)
C33H32N4O4

>  <MolWeight> (42)
548.63158

>  <Cat> (42)
S2662

>  <Name> (42)
Foscenvivint (ICG-001)

>  <Synonyms> (42)
N/A

>  <Target> (42)
Apoptosis related,Epigenetic Reader Domain,Wnt/beta-catenin

>  <Form> (42)
free base

>  <CAS> (42)
780757-88-2 (relative stereochemistry); 847591-62-2 (absolute stereochemistry)

>  <URL> (42)
http://selleckchem.com/products/icg-001.html

$$$$
GDC 0980.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (43)
921

>  <Formula> (43)
C23H30N8O3S

>  <MolWeight> (43)
498.6011

>  <Cat> (43)
S2696

>  <Name> (43)
Apitolisib (GDC-0980)

>  <Synonyms> (43)
RG7422, GNE 390

>  <Target> (43)
Apoptosis related,Autophagy,mTOR,PI3K

>  <Form> (43)
free base

>  <CAS> (43)
1032754-93-0

>  <URL> (43)
http://selleckchem.com/products/GDC-0980-RG7422.html

$$$$
INK 128.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (44)
933

>  <Formula> (44)
C15H15N7O

>  <MolWeight> (44)
309.3259

>  <Cat> (44)
S2811

>  <Name> (44)
Sapanisertib (MLN0128)

>  <Synonyms> (44)
INK 128,TAK-228

>  <Target> (44)
mTOR

>  <Form> (44)
free base

>  <CAS> (44)
1224844-38-5

>  <URL> (44)
http://selleckchem.com/products/ink128.html

$$$$
PF-04691502.cdx
csChFnd80/03272410542D

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    6.0580    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
  2 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22  7  1  6  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 27 22  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (45)
945

>  <Formula> (45)
C22H27N5O4

>  <MolWeight> (45)
425.48088

>  <Cat> (45)
S2743

>  <Name> (45)
PF-04691502

>  <Synonyms> (45)
PF4691502

>  <Target> (45)
Akt,Apoptosis related,mTOR,PI3K

>  <Form> (45)
free base

>  <CAS> (45)
1013101-36-4

>  <URL> (45)
http://selleckchem.com/products/pf-04691502.html

$$$$
Thalidomide.cdx
csChFnd80/03272410542D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.4229    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    1.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    4.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4641    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4641    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  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  3 11  2  0  0  0  0
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 12 17  1  0  0  0  0
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 13 19  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (46)
1008

>  <Formula> (46)
C13H10N2O4

>  <MolWeight> (46)
258.2295

>  <Cat> (46)
S1193

>  <Name> (46)
Thalidomide (K17)

>  <Synonyms> (46)
K17

>  <Target> (46)
E3 Ligase ,E3 ligase Ligand,TNF-alpha

>  <Form> (46)
free base

>  <CAS> (46)
50-35-1

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

$$$$
Sodium salicylate.cdx
csChFnd80/03272410542D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.7000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (47)
1021

>  <Formula> (47)
C7H6NaO3

>  <MolWeight> (47)
161.11051

>  <Cat> (47)
S3137

>  <Name> (47)
Sodium salicylate

>  <Synonyms> (47)
2-Hydroxybenzoic acid Sodium salt,Salicylic acid Sodium salt

>  <Target> (47)
NF-¦ÊB

>  <Form> (47)
sodium salt

>  <CAS> (47)
54-21-7

>  <URL> (47)
http://selleckchem.com/products/sodium-salicylate.html

$$$$
TPCA-1.cdx
csChFnd80/03272410542D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0330    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8558    4.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2482    4.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    2.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9947    1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024    1.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2099    2.6856    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  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  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 12 15  1  0  0  0  0
  4  9  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 16 17  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (48)
1024

>  <Formula> (48)
C12H10FN3O2S

>  <MolWeight> (48)
279.2901032

>  <Cat> (48)
S2824

>  <Name> (48)
TPCA-1

>  <Synonyms> (48)
GW683965

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

>  <Form> (48)
free base

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

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

$$$$
carfilzomib(PR-171).cdx
csChFnd80/03272410542D

 52 55  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    6.9903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0907    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    6.9903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5072    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7154    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9236    6.2927    0.0000 N   0  0  0  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
   10.8825    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2483    5.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5072    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    9.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3401    9.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4907    9.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7024   10.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6924    8.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4971    3.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1348    2.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1247    1.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4770    1.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8394    3.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (49)
1056

>  <Formula> (49)
C40H57N5O7

>  <MolWeight> (49)
719.90988

>  <Cat> (49)
S2853

>  <Name> (49)
Carfilzomib (PR-171)

>  <Synonyms> (49)
N/A

>  <Target> (49)
Apoptosis related,Autophagy,COVID-19,Proteasome

>  <Form> (49)
free base

>  <CAS> (49)
868540-17-4

>  <URL> (49)
http://selleckchem.com/products/carfilzomib-pr-171.html

$$$$
IMD0354.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (50)
1069

>  <Formula> (50)
C15H8ClF6NO2

>  <MolWeight> (50)
383.6729392

>  <Cat> (50)
S2864

>  <Name> (50)
IMD 0354

>  <Synonyms> (50)
IKK2 Inhibitor V

>  <Target> (50)
I¦ÊB/IKK

>  <Form> (50)
free base

>  <CAS> (50)
978-62-1

>  <URL> (50)
http://selleckchem.com/products/imd-0354.html

$$$$
ML130.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (51)
1070

>  <Formula> (51)
C14H13N3O2S

>  <MolWeight> (51)
287.33692

>  <Cat> (51)
S2863

>  <Name> (51)
Nodinitib-1

>  <Synonyms> (51)
ML130

>  <Target> (51)
NOD

>  <Form> (51)
free base

>  <CAS> (51)
799264-47-4

>  <URL> (51)
http://selleckchem.com/products/ml130.html

$$$$
IKK-16.cdx
csChFnd80/03272410542D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (52)
1104

>  <Formula> (52)
C28H29N5OS

>  <MolWeight> (52)
483.62776

>  <Cat> (52)
S2882

>  <Name> (52)
IKK-16 (IKK Inhibitor VII)

>  <Synonyms> (52)
N/A

>  <Target> (52)
I¦ÊB/IKK,LRRK2

>  <Form> (52)
free base

>  <CAS> (52)
873225-46-8

>  <URL> (52)
http://selleckchem.com/products/ikk-16.html

$$$$
Triptolide.cdx
csChFnd80/03272410542D

 27 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (53)
1107

>  <Formula> (53)
C20H24O6

>  <MolWeight> (53)
360.40096

>  <Cat> (53)
S3604

>  <Name> (53)
Triptolide (PG490)

>  <Synonyms> (53)
NSC 163062

>  <Target> (53)
ADC Cytotoxin,Apoptosis related,HSP (HSP90),MDM2/MDMX,NF-¦ÊB

>  <Form> (53)
free base

>  <CAS> (53)
38748-32-2

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

$$$$
Gabexate mesylate.cdx
csChFnd80/03272410542D

 28 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (54)
1196

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C17H27N3O7S

>  <MolWeight> (54)
417.47718

>  <Cat> (54)
S2101

>  <Name> (54)
Gabexate Mesylate

>  <Synonyms> (54)
FOY

>  <Target> (54)
Serine Protease

>  <Form> (54)
Mesylate

>  <CAS> (54)
56974-61-9

>  <URL> (54)
http://selleckchem.com/products/gabexate-mesylate.html

$$$$
QNZ.cdx
csChFnd80/03272410542D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (55)
1263

>  <Formula> (55)
C22H20N4O

>  <MolWeight> (55)
356.4204

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S4902

>  <Name> (55)
QNZ (EVP4593)

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N/A

>  <Target> (55)
NF-¦ÊB,TNF-alpha

>  <Form> (55)
free base

>  <CAS> (55)
545380-34-5

>  <URL> (55)
http://selleckchem.com/products/qnz-evp4593.html

$$$$
SC-514.cdx
csChFnd80/03272410542D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (56)
1264

>  <Formula> (56)
C9H8N2OS2

>  <MolWeight> (56)
224.30262

>  <Cat> (56)
S4907

>  <Name> (56)
SC-514

>  <Synonyms> (56)
GK 01140

>  <Target> (56)
I¦ÊB/IKK

>  <Form> (56)
free base

>  <CAS> (56)
354812-17-2

>  <URL> (56)
http://selleckchem.com/products/sc-514.html

$$$$
Aminosalicylate sodium.cdx
csChFnd80/03272410542D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (57)
1285

>  <Formula> (57)
C7H6NNaO3

>  <MolWeight> (57)
175.11721

>  <Cat> (57)
S4073

>  <Name> (57)
Sodium 4-Aminosalicylate

>  <Synonyms> (57)
N/A

>  <Target> (57)
NF-¦ÊB

>  <Form> (57)
Sodium Salt

>  <CAS> (57)
6018-19-5

>  <URL> (57)
http://selleckchem.com/products/aminosalicylate-sodium.html

$$$$
b-AP15.cdx
csChFnd80/03272410542D

 31 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (58)
1378

>  <Formula> (58)
C22H17N3O6

>  <MolWeight> (58)
419.38688

>  <Cat> (58)
S4920

>  <Name> (58)
b-AP15

>  <Synonyms> (58)
NSC687852

>  <Target> (58)
DUB

>  <Form> (58)
free base

>  <CAS> (58)
1009817-63-3

>  <URL> (58)
http://selleckchem.com/products/b-ap15.html

$$$$
MDBN.cdx
csChFnd80/03272410542D

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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
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M  END
>  <Mol_ID> (59)
1393

>  <Formula> (59)
C9H7NO4

>  <MolWeight> (59)
193.15618

>  <Cat> (59)
S4921

>  <Name> (59)
MNS (3,4-Methylenedioxy-¦Â-nitrostyrene)

>  <Synonyms> (59)
MDBN

>  <Target> (59)
p97,Src,Syk,Tyrosinase

>  <Form> (59)
free base

>  <CAS> (59)
1485-00-3

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

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (60)
1508

>  <Formula> (60)
C44H69NO12

>  <MolWeight> (60)
804.01816

>  <Cat> (60)
S5003

>  <Name> (60)
Tacrolimus (FK506)

>  <Synonyms> (60)
FK506, FR900506, Fujimycin, Prograf

>  <Target> (60)
Autophagy,FKBP,phosphatase

>  <Form> (60)
free base

>  <CAS> (60)
104987-11-3

>  <URL> (60)
http://selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (61)
1511

>  <Formula> (61)
C56H87NO16

>  <MolWeight> (61)
1030.28708

>  <Cat> (61)
S1044

>  <Name> (61)
Temsirolimus (CCI-779)

>  <Synonyms> (61)
NSC 683864,CCI-779

>  <Target> (61)
Apoptosis related,Autophagy,mTOR

>  <Form> (61)
free base

>  <CAS> (61)
162635-04-3

>  <URL> (61)
http://selleckchem.com/products/Temsirolimus.html

$$$$
AT-406.cdx
csChFnd80/03272410542D

 41 44  0  0  0  0  0  0  0  0999 V2000
   12.1603    7.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1603    6.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3727    5.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5851    6.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5851    7.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3727    8.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3727    4.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3627    3.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3828    3.3041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3627    1.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5751    1.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7875    1.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7875    3.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5751    4.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2746    3.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2846    2.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7269    4.3232    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4269    5.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4901    6.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2111    6.0066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3575    4.6142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1231    6.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308    6.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    4.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    3.3799    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4764    3.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0941    2.3899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8817    3.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6693    2.3899    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8817    4.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4568    3.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6693    0.9899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6592    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1764    2.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 15  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  1  0  0  0  0
 26 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 30 38  1  0  0  0  0
 30 39  1  1  0  0  0
 39 40  1  0  0  0  0
 20 22  1  1  0  0  0
 27 41  2  0  0  0  0
M  END
>  <Mol_ID> (62)
1661

>  <Formula> (62)
C32H43N5O4

>  <MolWeight> (62)
561.71492

>  <Cat> (62)
S2754

>  <Name> (62)
Xevinapant (AT406)

>  <Synonyms> (62)
ARRY-334543, Debio1143, SM-406

>  <Target> (62)
E3 Ligase ,IAP

>  <Form> (62)
free base

>  <CAS> (62)
1071992-99-8

>  <URL> (62)
http://selleckchem.com/products/at-406.html

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/03272410542D

 26 27  0  0  0  0  0  0  0  0999 V2000
   10.9118    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1346    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.1905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3366    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5501    2.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.2905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5549    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9906    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
  5  2  1  1  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (63)
1714

>  <Formula> (63)
C18H16O8

>  <MolWeight> (63)
360.31484

>  <Cat> (63)
S3612

>  <Name> (63)
Rosmarinic acid

>  <Synonyms> (63)
Rosemary acid

>  <Target> (63)
Complement System,I¦ÊB/IKK

>  <Form> (63)
free base

>  <CAS> (63)
20283-92-5

>  <URL> (63)
http://selleckchem.com/products/rosmarinic-acid.html

$$$$
S3692 N-Ethylmaleimide.cdx
csChFnd80/03272410542D

  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> (64)
1718

>  <Formula> (64)
C6H7NO2

>  <MolWeight> (64)
125.12528

>  <Cat> (64)
S3692

>  <Name> (64)
N-Ethylmaleimide (NEM)

>  <Synonyms> (64)
N/A

>  <Target> (64)
Cysteine Protease,DUB

>  <Form> (64)
free base

>  <CAS> (64)
128-53-0

>  <URL> (64)
http://selleckchem.com/products/n-ethylmaleimide-nem.html

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/03272410542D

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.1810    2.1435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019    0.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    2.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.0618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0256    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488    4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    4.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9606    0.0000    0.0000 N   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
  4  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (65)
1729

>  <Formula> (65)
C5H12N2S2

>  <MolWeight> (65)
164.29218

>  <Cat> (65)
S3633

>  <Name> (65)
Pyrrolidinedithiocarbamate ammonium

>  <Synonyms> (65)
APDC, PDTC, Pyrrolidine dithiocarbamic acid ammonium salt

>  <Target> (65)
NF-¦ÊB

>  <Form> (65)
ammonium salt

>  <CAS> (65)
5108-96-3

>  <URL> (65)
http://selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/03272410542D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.7509    2.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    3.5533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5841    3.5548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0184    2.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8868    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    6.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3705    5.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160    4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    4.6475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4441    4.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1553    6.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682    6.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533    6.0001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682    8.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3505    1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533    7.3991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103    3.4351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 13  1  0  0  0  0
  9 13  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  5 14  2  0  0  0  0
  8 15  2  0  0  0  0
 12 16  2  0  0  0  0
  4 17  2  0  0  0  0
 13 18  1  6  0  0  0
  9 19  1  6  0  0  0
M  END
>  <Mol_ID> (66)
1733

>  <Formula> (66)
C15H18O2

>  <MolWeight> (66)
230.30222

>  <Cat> (66)
S3615

>  <Name> (66)
Dehydrocostus Lactone

>  <Synonyms> (66)
N/A

>  <Target> (66)
I¦ÊB/IKK

>  <Form> (66)
free base

>  <CAS> (66)
477-43-0

>  <URL> (66)
http://selleckchem.com/products/dehydrocostus-lactone.html

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/03272410542D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6085    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    2.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4093    4.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0326    4.2046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    6.3050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005    4.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    0.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.0000    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  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (67)
1735

>  <Formula> (67)
C9H10O4

>  <MolWeight> (67)
182.1733

>  <Cat> (67)
S3630

>  <Name> (67)
Methyl Vanillate

>  <Synonyms> (67)
N/A

>  <Target> (67)
Wnt/beta-catenin

>  <Form> (67)
free base

>  <CAS> (67)
3943-74-6

>  <URL> (67)
http://selleckchem.com/products/methyl-vanillate.html

$$$$
S3942 Cardamonin.cdx
csChFnd80/03272410542D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
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 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (68)
1837

>  <Formula> (68)
C16H14O4

>  <MolWeight> (68)
270.27996

>  <Cat> (68)
S3867

>  <Name> (68)
(E)-Cardamonin

>  <Synonyms> (68)
Alpinetin chalcone, cardamomin

>  <Target> (68)
NF-¦ÊB,TRP Channel

>  <Form> (68)
free base

>  <CAS> (68)
19309-14-9

>  <URL> (68)
http://selleckchem.com/products/e-cardamoni.html

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/03272410542D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    9.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 23 14  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 27 29  1  6  0  0  0
 29 30  1  0  0  0  0
 26 31  1  1  0  0  0
 25 32  1  6  0  0  0
 24 33  1  1  0  0  0
M  END
>  <Mol_ID> (69)
1865

>  <Formula> (69)
C21H20O12

>  <MolWeight> (69)
464.3763

>  <Cat> (69)
S3842

>  <Name> (69)
Isoquercitrin

>  <Synonyms> (69)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (69)
Wnt/beta-catenin

>  <Form> (69)
free base

>  <CAS> (69)
482-35-9

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

$$$$
S3874 Curcumenol.cdx
csChFnd80/03272410542D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.7647    2.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7647    4.3230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6968    5.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    4.7783    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
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  1  0  0  0
  8  3  1  6  0  0  0
  4  9  1  0  0  0  0
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  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
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  8  9  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (70)
1915

>  <Formula> (70)
C15H22O2

>  <MolWeight> (70)
234.33398

>  <Cat> (70)
S3874

>  <Name> (70)
Curcumenol

>  <Synonyms> (70)
N/A

>  <Target> (70)
NF-¦ÊB,P450 (e.g. CYP17)

>  <Form> (70)
free base

>  <CAS> (70)
19431-84-6

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

$$$$
Torin 1.cdx
csChFnd80/03272410542D

 45 51  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  1  0  0  0  0
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 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 28 32  1  0  0  0  0
 36 37  1  0  0  0  0
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M  END
>  <Mol_ID> (71)
1961

>  <Formula> (71)
C35H28F3N5O2

>  <MolWeight> (71)
607.6243296

>  <Cat> (71)
S2827

>  <Name> (71)
Torin 1

>  <Synonyms> (71)
N/A

>  <Target> (71)
Autophagy,mTOR

>  <Form> (71)
Free Base

>  <CAS> (71)
1222998-36-8

>  <URL> (71)
http://selleckchem.com/products/torin-1.html

$$$$
KY02111.cdx
csChFnd80/03272410542D

 25 27  0  0  0  0  0  0  0  0999 V2000
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   16.6277    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (72)
1969

>  <Formula> (72)
C18H17ClN2O3S

>  <MolWeight> (72)
376.85718

>  <Cat> (72)
S7096

>  <Name> (72)
KY02111

>  <Synonyms> (72)
N/A

>  <Target> (72)
Wnt/beta-catenin

>  <Form> (72)
free base

>  <CAS> (72)
1118807-13-8

>  <URL> (72)
http://selleckchem.com/products/ky02111.html

$$$$
TCID.cdx
csChFnd80/03272410542D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
M  END
>  <Mol_ID> (73)
1988

>  <Formula> (73)
C9H2Cl4O2

>  <MolWeight> (73)
283.92298

>  <Cat> (73)
S7140

>  <Name> (73)
TCID

>  <Synonyms> (73)
N/A

>  <Target> (73)
DUB

>  <Form> (73)
free base

>  <CAS> (73)
30675-13-9

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

$$$$
IU1.cdx
csChFnd80/03272410542D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
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 10 15  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (74)
1990

>  <Formula> (74)
C18H21FN2O

>  <MolWeight> (74)
300.3705432

>  <Cat> (74)
S7134

>  <Name> (74)
IU1

>  <Synonyms> (74)
N/A

>  <Target> (74)
Autophagy,DUB

>  <Form> (74)
free base

>  <CAS> (74)
314245-33-5

>  <URL> (74)
http://selleckchem.com/products/iu1.html

$$$$
LDN-57444.cdx
csChFnd80/03272410542D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  1 10  1  0  0  0  0
  9 11  2  0  0  0  0
  8 16  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (75)
2000

>  <Formula> (75)
C17H11Cl3N2O3

>  <MolWeight> (75)
397.63984

>  <Cat> (75)
S7135

>  <Name> (75)
LDN-57444

>  <Synonyms> (75)
N/A

>  <Target> (75)
DUB

>  <Form> (75)
free base

>  <CAS> (75)
668467-91-2

>  <URL> (75)
http://selleckchem.com/products/ldn-57444.html

$$$$
P005091(P5091) .cdx
csChFnd80/03272410542D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (76)
2004

>  <Formula> (76)
C12H7Cl2NO3S2

>  <MolWeight> (76)
348.22488

>  <Cat> (76)
S7132

>  <Name> (76)
P5091 (P005091)

>  <Synonyms> (76)
N/A

>  <Target> (76)
DUB

>  <Form> (76)
free base

>  <CAS> (76)
882257-11-6

>  <URL> (76)
http://selleckchem.com/products/p5091-p005091.html

$$$$
S4937 4'-Hydroxychalcone.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (77)
2207

>  <Formula> (77)
C15H12O2

>  <MolWeight> (77)
224.25458

>  <Cat> (77)
S4937

>  <Name> (77)
4'-Hydroxychalcone

>  <Synonyms> (77)
P-Cinnamoylphenol

>  <Target> (77)
NF-¦ÊB

>  <Form> (77)
free base

>  <CAS> (77)
2657-25-2

>  <URL> (77)
http://selleckchem.com/products/hydroxychalcone.html

$$$$
Tenovin-1.cdx
csChFnd80/03272410542D

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2268

>  <Formula> (78)
C20H23N3O2S

>  <MolWeight> (78)
369.48052

>  <Cat> (78)
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>  <Name> (78)
Tenovin-1

>  <Synonyms> (78)
N/A

>  <Target> (78)
Dehydrogenase,p53,Sirtuin

>  <Form> (78)
free base

>  <CAS> (78)
380315-80-0

>  <URL> (78)
http://selleckchem.com/products/tenovin-1.html

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/03272410542D

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2292

>  <Formula> (79)
C26H21N3O3

>  <MolWeight> (79)
423.46324

>  <Cat> (79)
S7086

>  <Name> (79)
IWR-1-endo

>  <Synonyms> (79)
endo-IWR 1, IWR-1

>  <Target> (79)
Wnt/beta-catenin

>  <Form> (79)
free base

>  <CAS> (79)
1127442-82-3

>  <URL> (79)
http://selleckchem.com/products/iwr-1-endo.html

$$$$
Oprozomib (ONX 0912).cdx
csChFnd80/03272410542D

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2293

>  <Formula> (80)
C25H32N4O7S

>  <MolWeight> (80)
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>  <Cat> (80)
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>  <Name> (80)
Oprozomib (ONX 0912)

>  <Synonyms> (80)
PR-047

>  <Target> (80)
Proteasome

>  <Form> (80)
free base

>  <CAS> (80)
935888-69-0

>  <URL> (80)
http://selleckchem.com/products/oprozomib-onx-0912.html

$$$$
GDC-0349.cdx
csChFnd80/03272410542D

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>  <Mol_ID> (81)
2313

>  <Formula> (81)
C24H32N6O3

>  <MolWeight> (81)
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>  <Cat> (81)
S8040

>  <Name> (81)
GDC-0349

>  <Synonyms> (81)
RG-7603

>  <Target> (81)
mTOR

>  <Form> (81)
free base

>  <CAS> (81)
1207360-89-1

>  <URL> (81)
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p97

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free base

>  <CAS> (87)
177355-84-9

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

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Apoptosis related,E1 Activating

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free base

>  <CAS> (88)
418805-02-4

>  <URL> (88)
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1624602-30-7

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M  END
>  <Mol_ID> (91)
2501

>  <Formula> (91)
C21H25ClN2O2

>  <MolWeight> (91)
372.8884

>  <Cat> (91)
S8483

>  <Name> (91)
CBL0137 HCl

>  <Synonyms> (91)
CBLC137 HCl, Curaxin 137 HCl

>  <Target> (91)
NF-¦ÊB,p53

>  <Form> (91)
HCl

>  <CAS> (91)
1197397-89-9

>  <URL> (91)
http://selleckchem.com/products/cbl0137-cbl-0137.html

$$$$
XL388.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (92)
2583

>  <Formula> (92)
C23H22FN3O4S

>  <MolWeight> (92)
455.5018832

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S7035

>  <Name> (92)
XL388

>  <Synonyms> (92)
N/A

>  <Target> (92)
mTOR

>  <Form> (92)
free base

>  <CAS> (92)
1251156-08-7

>  <URL> (92)
http://selleckchem.com/products/xl388.html

$$$$
bms-345541.cdx
csChFnd80/03272410542D

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>  <Mol_ID> (93)
2639

>  <Formula> (93)
C14H17N5

>  <MolWeight> (93)
255.31828

>  <Cat> (93)
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BMS-345541

>  <Synonyms> (93)
N/A

>  <Target> (93)
I¦ÊB/IKK

>  <Form> (93)
free base

>  <CAS> (93)
445430-58-0

>  <URL> (93)
http://selleckchem.com/products/bms-345541.html

$$$$
JSH-23.cdx
csChFnd80/03272410542D

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>  <Mol_ID> (94)
2660

>  <Formula> (94)
C16H20N2

>  <MolWeight> (94)
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N/A

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>  <Form> (94)
free base

>  <CAS> (94)
749886-87-1

>  <URL> (94)
http://selleckchem.com/products/jsh-23.html

$$$$
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p97

>  <Form> (95)
free base

>  <CAS> (95)
1418013-75-8

>  <URL> (95)
http://selleckchem.com/products/nms-873.html

$$$$
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csChFnd80/03272410542D

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2670

>  <Formula> (96)
C17H16O4

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>  <Name> (96)
Caffeic Acid Phenethyl Ester

>  <Synonyms> (96)
CAPE, Phenylethyl Caffeate

>  <Target> (96)
NF-¦ÊB

>  <Form> (96)
free base

>  <CAS> (96)
104594-70-9

>  <URL> (96)
http://selleckchem.com/products/caffeic-acid-phenethyl-ester.html

$$$$
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>  <Formula> (97)
C23H20N6O

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396.4445

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S7143

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LGK-974

>  <Synonyms> (97)
NVP-LGK974, WNT974

>  <Target> (97)
PORCN

>  <Form> (97)
free base

>  <CAS> (97)
1243244-14-5

>  <URL> (97)
http://selleckchem.com/products/lgk-974.html

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LM-3096 IWP L6.cdx
csChFnd80/03272410542D

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IWP-L6

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PORCN

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free base

>  <CAS> (98)
1427782-89-5

>  <URL> (98)
http://selleckchem.com/products/iwp-l6.html

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>  <Formula> (99)
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NSC697923

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>  <Target> (99)
E2 conjugating

>  <Form> (99)
free base

>  <CAS> (99)
343351-67-7

>  <URL> (99)
http://selleckchem.com/products/nsc697923.html

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PARP,Wnt/beta-catenin

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free base

>  <CAS> (100)
838818-26-1

>  <URL> (100)
http://selleckchem.com/products/wiki4.html

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YH239-EE.cdx
csChFnd80/03272410542D

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C25H27Cl2N3O4

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>  <Target> (101)
MDM2/MDMX

>  <Form> (101)
free base

>  <CAS> (101)
1364488-67-4

>  <URL> (101)
http://selleckchem.com/products/yh239-ee.html

$$$$
ML323.cdx
csChFnd80/03272410542D

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ML323

>  <Synonyms> (102)
N/A

>  <Target> (102)
DUB

>  <Form> (102)
free base

>  <CAS> (102)
1572414-83-5

>  <URL> (102)
http://selleckchem.com/products/ml323.html

$$$$
SC75741.cdx
csChFnd80/03272410542D

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2752

>  <Formula> (103)
C29H23N7O2S2

>  <MolWeight> (103)
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>  <Cat> (103)
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>  <Name> (103)
SC75741

>  <Synonyms> (103)
N/A

>  <Target> (103)
Influenza Virus,NF-¦ÊB

>  <Form> (103)
free base

>  <CAS> (103)
913822-46-5

>  <URL> (103)
http://selleckchem.com/products/sc75741.html

$$$$
IWP-2.cdx
csChFnd80/03272410542D

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>  <Mol_ID> (104)
2768

>  <Formula> (104)
C22H18N4O2S3

>  <MolWeight> (104)
466.59892

>  <Cat> (104)
S7085

>  <Name> (104)
IWP-2

>  <Synonyms> (104)
N/A

>  <Target> (104)
Casein Kinase,Wnt/beta-catenin

>  <Form> (104)
Free Base

>  <CAS> (104)
686770-61-6

>  <URL> (104)
http://selleckchem.com/products/iwp-2.html

$$$$
PI-1840.cdx
csChFnd80/03272410542D

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>  <Mol_ID> (105)
2771

>  <Formula> (105)
C22H26N4O3

>  <MolWeight> (105)
394.46684

>  <Cat> (105)
S7462

>  <Name> (105)
PI-1840

>  <Synonyms> (105)
N/A

>  <Target> (105)
Proteasome

>  <Form> (105)
free base

>  <CAS> (105)
1401223-22-0

>  <URL> (105)
http://selleckchem.com/products/pi-1840.html

$$$$
FH535.cdx
csChFnd80/03272410542D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (106)
2778

>  <Formula> (106)
C13H10Cl2N2O4S

>  <MolWeight> (106)
361.2005

>  <Cat> (106)
S7484

>  <Name> (106)
FH535

>  <Synonyms> (106)
N/A

>  <Target> (106)
PPAR,Wnt/beta-catenin

>  <Form> (106)
free base

>  <CAS> (106)
108409-83-2

>  <URL> (106)
http://selleckchem.com/products/fh535.html

$$$$
Zotarolimus.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (107)
2797

>  <Formula> (107)
C52H79N5O12

>  <MolWeight> (107)
966.20996

>  <Cat> (107)
S7091

>  <Name> (107)
Zotarolimus (ABT-578)

>  <Synonyms> (107)
A 179578

>  <Target> (107)
FKBP,mTOR

>  <Form> (107)
free base

>  <CAS> (107)
221877-54-9

>  <URL> (107)
http://selleckchem.com/products/zotarolimus-abt-578.html

$$$$
PD 151746 .cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (108)
2798

>  <Formula> (108)
C11H8FNO2S

>  <MolWeight> (108)
237.2501232

>  <Cat> (108)
S7424

>  <Name> (108)
PD 151746

>  <Synonyms> (108)
N/A

>  <Target> (108)
Cysteine Protease

>  <Form> (108)
free base

>  <CAS> (108)
179461-52-0

>  <URL> (108)
http://selleckchem.com/products/pd-151746.html

$$$$
WS6 .cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (109)
2834

>  <Formula> (109)
C29H31F3N6O3

>  <MolWeight> (109)
568.5900496

>  <Cat> (109)
S7442

>  <Name> (109)
WS6

>  <Synonyms> (109)
N/A

>  <Target> (109)
I¦ÊB/IKK

>  <Form> (109)
free base

>  <CAS> (109)
1421227-53-3

>  <URL> (109)
http://selleckchem.com/products/ws6.html

$$$$
MG 101.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (110)
2835

>  <Formula> (110)
C20H37N3O4

>  <MolWeight> (110)
383.52548

>  <Cat> (110)
S7386

>  <Name> (110)
MG-101 (ALLN)

>  <Synonyms> (110)
Calpain inhibitor-1, Ac-LLnL-CHO

>  <Target> (110)
Cysteine Protease

>  <Form> (110)
Oxalate

>  <CAS> (110)
110044-82-1

>  <URL> (110)
http://selleckchem.com/products/mg-101-alln.html

$$$$
Nutlin-3b.cdx
csChFnd80/03272410542D

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2858

>  <Formula> (112)
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WS3

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N/A

>  <Target> (112)
I¦ÊB/IKK

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free base

>  <CAS> (112)
1421227-52-2

>  <URL> (112)
http://selleckchem.com/products/ws3.html

$$$$
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>  <Name> (113)
Calpeptin

>  <Synonyms> (113)
N/A

>  <Target> (113)
Apoptosis related,Cysteine Protease

>  <Form> (113)
free base

>  <CAS> (113)
117591-20-5

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

$$$$
SAR405838 (MI-773).cdx
csChFnd80/03272410542D

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>  <Name> (114)
MI-773 (SAR405838)

>  <Synonyms> (114)
N/A

>  <Target> (114)
MDM2/MDMX,p53

>  <Form> (114)
free base

>  <CAS> (114)
1303607-60-4

>  <URL> (114)
http://selleckchem.com/products/mi-773-sar405838.html

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csChFnd80/03272410542D

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N/A

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I¦ÊB/IKK

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trihydrochloride

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946518-60-1

>  <URL> (115)
http://selleckchem.com/products/ly2409881.html

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Autophagy,mTOR

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free base

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326914-06-1

>  <URL> (116)
http://selleckchem.com/products/mhy1485.html

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939981-39-2

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3006

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C15H11F2N3

>  <MolWeight> (118)
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>  <Name> (118)
Spautin-1

>  <Synonyms> (118)
N/A

>  <Target> (118)
Apoptosis related,Autophagy,DUB

>  <Form> (118)
free base

>  <CAS> (118)
1262888-28-7

>  <URL> (118)
http://selleckchem.com/products/spautin-1.html

$$$$
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csChFnd80/03272410542D

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>  <Mol_ID> (119)
3024

>  <Formula> (119)
C24H23N5O2

>  <MolWeight> (119)
413.47172

>  <Cat> (119)
S8101

>  <Name> (119)
CB-5083

>  <Synonyms> (119)
N/A

>  <Target> (119)
ATPase,p97

>  <Form> (119)
free base

>  <CAS> (119)
1542705-92-9

>  <URL> (119)
http://selleckchem.com/products/cb-5083.html

$$$$
Voxtalisib (XL765, SAR245409).cdx
csChFnd80/03272410542D

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>  <Formula> (120)
C13H14N6O

>  <MolWeight> (120)
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>  <Cat> (120)
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>  <Name> (120)
Voxtalisib (XL765)

>  <Synonyms> (120)
SAR245409

>  <Target> (120)
mTOR,PI3K

>  <Form> (120)
free base

>  <CAS> (120)
934493-76-2

>  <URL> (120)
http://selleckchem.com/products/voxtalisib-xl765-sar245409.html

$$$$
PS-1145.cdx
csChFnd80/03272410542D

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>  <Mol_ID> (121)
3032

>  <Formula> (121)
C17H11ClN4O

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PS-1145

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N/A

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I¦ÊB/IKK

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free base

>  <CAS> (121)
431898-65-6

>  <URL> (121)
http://selleckchem.com/products/ps-1145.html

$$$$
CC-223.cdx
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>  <Mol_ID> (122)
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>  <Formula> (122)
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>  <MolWeight> (122)
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>  <Name> (122)
Onatasertib (CC 223)

>  <Synonyms> (122)
ATG-008

>  <Target> (122)
mTOR

>  <Form> (122)
free base

>  <CAS> (122)
1228013-30-6

>  <URL> (122)
http://selleckchem.com/products/cc-223.html

$$$$
Wnt agonist 1 HCl.cdx
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M  END
>  <Mol_ID> (123)
3067

>  <Formula> (123)
C19H19ClN4O3

>  <MolWeight> (123)
386.83216

>  <Cat> (123)
S8178

>  <Name> (123)
Wnt agonist 1

>  <Synonyms> (123)
BML-284 HCL, BML-284 hydrochloride, AMBMP hydrochloride, AMBMP HCL

>  <Target> (123)
Wnt/beta-catenin

>  <Form> (123)
hydrochloride

>  <CAS> (123)
2095432-75-8

>  <URL> (123)
http://selleckchem.com/products/wnt-agonist-1.html

$$$$
MRT68921.cdx
csChFnd80/03272410542D

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A   35
xHCl
M  END
>  <Mol_ID> (124)
3111

>  <Formula> (124)
C26H36N6O2R

>  <MolWeight> (124)
464.60304

>  <Cat> (124)
S7948

>  <Name> (124)
MRT67307 HCl

>  <Synonyms> (124)
N/A

>  <Target> (124)
Autophagy,I¦ÊB/IKK,TBK1,ULK

>  <Form> (124)
hydrochloride

>  <CAS> (124)
1781882-89-0

>  <URL> (124)
https://www.selleckchem.com/products/mrt67307-hcl.html

$$$$
IQ-1.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (125)
3150

>  <Formula> (125)
C21H22N4O2

>  <MolWeight> (125)
362.42498

>  <Cat> (125)
S8248

>  <Name> (125)
IQ-1

>  <Synonyms> (125)
N/A

>  <Target> (125)
PP2A,Wnt/beta-catenin

>  <Form> (125)
free base

>  <CAS> (125)
331001-62-8

>  <URL> (125)
http://selleckchem.com/products/iq-1.html

$$$$
LY3023414.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (126)
3168

>  <Formula> (126)
C23H26N4O3

>  <MolWeight> (126)
406.47754

>  <Cat> (126)
S8322

>  <Name> (126)
Samotolisib (LY3023414)

>  <Synonyms> (126)
GTPL8918

>  <Target> (126)
DNA-PK,mTOR,PI3K

>  <Form> (126)
free base

>  <CAS> (126)
1386874-06-1

>  <URL> (126)
http://selleckchem.com/products/ly3023414.html

$$$$
Epoxomicin.cdx
csChFnd80/03272410542D

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    1.2124    5.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  6  0  0  0
  1  7  2  0  0  0  0
  1  8  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
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  6  0  0  0
 16 13  1  1  0  0  0
  9 13  1  0  0  0  0
 11 19  1  0  0  0  0
  9  2  1  1  0  0  0
 22 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  6  0  0  0
 20 27  2  0  0  0  0
 29 30  1  0  0  0  0
 30 28  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  6  0  0  0
 28 35  2  0  0  0  0
 21 28  1  0  0  0  0
 29 36  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 29 37  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
>  <Mol_ID> (127)
3175

>  <Formula> (127)
C28H50N4O7

>  <MolWeight> (127)
554.7192

>  <Cat> (127)
S7038

>  <Name> (127)
Epoxomicin (BU-4061T)

>  <Synonyms> (127)
Aids010837

>  <Target> (127)
Apoptosis related,Proteasome

>  <Form> (127)
free base

>  <CAS> (127)
134381-21-8

>  <URL> (127)
http://selleckchem.com/products/epoxomicin-bu-4061t.html

$$$$
S4712 Diethylmaleate.cdx
csChFnd80/03272410542D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 O   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
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (128)
3189

>  <Formula> (128)
C8H12O4

>  <MolWeight> (128)
172.17848

>  <Cat> (128)
S4712

>  <Name> (128)
Diethylmaleate

>  <Synonyms> (128)
Diethyl ester, Maleic acid diethyl ester

>  <Target> (128)
NF-¦ÊB,Nrf2

>  <Form> (128)
Free Base

>  <CAS> (128)
141-05-9

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

$$$$
Shikonin.cdx
csChFnd80/03272410542D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    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
    2.4249    3.5000    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
    3.6373    1.4000    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
    4.8497    3.5000    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
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  1  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    4.2000    0.0000 C   0  0  0  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
   10.9119    4.2000    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
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  6 12  1  0  0  0  0
 10  9  1  0  0  0  0
  8  7  1  0  0  0  0
  7 13  2  0  0  0  0
  3 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 15 21  1  6  0  0  0
M  END
>  <Mol_ID> (129)
3193

>  <Formula> (129)
C16H16O5

>  <MolWeight> (129)
288.29524

>  <Cat> (129)
S8279

>  <Name> (129)
Shikonin (C.I. 75535)

>  <Synonyms> (129)
Anchusin, Anchusa acid, Alkanna Red, Isoarnebin 4, NSC 252844

>  <Target> (129)
Anti-infection,Chloride Channel,COVID-19,NF-¦ÊB,PKM,Proteasome,TNF-alpha

>  <Form> (129)
free base

>  <CAS> (129)
54952-43-1

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

$$$$
KYA1797K.cdx
csChFnd80/03272410542D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.5201    6.3914    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7675    7.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5485    8.4098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1657    8.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5301    7.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5384    9.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8907    9.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8807   10.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2330    9.6650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2229   10.6549    0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
   14.5183   11.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5301    9.8762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0149    6.3914    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1474    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    5.5923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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 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
    1.2124    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  1  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
  8 11  2  0  0  0  0
  4 12  2  0  0  0  0
  2 13  2  0  0  0  0
  5 14  2  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  2  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
  9 10  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (130)
3195

>  <Formula> (130)
C17H11KN2O6S2

>  <MolWeight> (130)
442.50734

>  <Cat> (130)
S8327

>  <Name> (130)
KYA1797K

>  <Synonyms> (130)
N/A

>  <Target> (130)
Wnt/beta-catenin

>  <Form> (130)
potassium salt

>  <CAS> (130)
1956356-56-1

>  <URL> (130)
http://selleckchem.com/products/kya1797k.html

$$$$
SKL2001.cdx
csChFnd80/03272410542D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    4.0479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    2.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3773    1.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7088    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7088    3.6152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3773    4.0479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8414    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1203    1.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6950    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2530    1.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5319    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6646    0.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9435    1.4548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1560    0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1964    1.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6269    2.9706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2346    2.8242    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  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  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 17  1  0  0  0  0
M  END
>  <Mol_ID> (131)
3225

>  <Formula> (131)
C14H14N4O3

>  <MolWeight> (131)
286.28596

>  <Cat> (131)
S8320

>  <Name> (131)
SKL2001

>  <Synonyms> (131)
N/A

>  <Target> (131)
Wnt/beta-catenin

>  <Form> (131)
free base

>  <CAS> (131)
909089-13-0

>  <URL> (131)
http://selleckchem.com/products/skl2001.html

$$$$
untitled.cdx
csChFnd80/03272410542D

 47 52  0  0  0  0  0  0  0  0999 V2000
    6.0545    6.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510    7.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8369    8.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6253    7.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6305    6.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8438    5.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    5.5614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    4.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4171    8.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2686    5.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    7.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    6.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4661    7.6747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2558    8.3670    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2558    9.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4648   10.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4614   11.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2456   12.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0365   11.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0400   10.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2456   13.9572    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4765    6.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6847    5.5748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2939    2.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5081    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7188    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7154    3.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5012    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2888    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5012    5.5903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2905    6.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2939    7.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5081    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7205    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1382979-44-3

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C22H29N5O4S

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459.56176

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CZ415

>  <Synonyms> (136)
N/A

>  <Target> (136)
mTOR

>  <Form> (136)
free base

>  <CAS> (136)
1429639-50-8

>  <URL> (136)
http://selleckchem.com/products/cz415.html

$$$$
XMU-MP-1.cdx
csChFnd80/03272410542D

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>  <Mol_ID> (137)
3261

>  <Formula> (137)
C17H16N6O3S2

>  <MolWeight> (137)
416.47734

>  <Cat> (137)
S8334

>  <Name> (137)
XMU-MP-1

>  <Synonyms> (137)
N/A

>  <Target> (137)
MST

>  <Form> (137)
free base

>  <CAS> (137)
2061980-01-4

>  <URL> (137)
http://selleckchem.com/products/xmu-mp-1.html

$$$$
GSK583.cdx
csChFnd80/03272410542D

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>  <Mol_ID> (138)
3282

>  <Formula> (138)
C20H19FN4O2S

>  <MolWeight> (138)
398.4538632

>  <Cat> (138)
S8261

>  <Name> (138)
GSK583

>  <Synonyms> (138)
N/A

>  <Target> (138)
Interleukins,RIP kinase,TNF-alpha

>  <Form> (138)
free base

>  <CAS> (138)
1346547-00-9

>  <URL> (138)
http://selleckchem.com/products/gsk583.html

$$$$
PNU-74654.cdx
csChFnd80/03272410542D

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>  <Mol_ID> (139)
3295

>  <Formula> (139)
C19H16N2O3

>  <MolWeight> (139)
320.34194

>  <Cat> (139)
S8429

>  <Name> (139)
PNU-74654

>  <Synonyms> (139)
N/A

>  <Target> (139)
Wnt/beta-catenin

>  <Form> (139)
free base

>  <CAS> (139)
113906-27-7

>  <URL> (139)
http://selleckchem.com/products/pnu-74654.html

$$$$
BH3I-1.cdx
csChFnd80/03272410542D

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>  <Mol_ID> (140)
3302

>  <Formula> (140)
C15H14BrNO3S2

>  <MolWeight> (140)
400.31056

>  <Cat> (140)
S8177

>  <Name> (140)
BH3I-1

>  <Synonyms> (140)
N/A

>  <Target> (140)
Bcl-2

>  <Form> (140)
free base

>  <CAS> (140)
300817-68-9

>  <URL> (140)
http://selleckchem.com/products/bh3i-1.html

$$$$
CC-122.cdx
csChFnd80/03272410542D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (141)
3305

>  <Formula> (141)
C14H14N4O3

>  <MolWeight> (141)
286.28596

>  <Cat> (141)
S7892

>  <Name> (141)
Avadomide (CC-122)

>  <Synonyms> (141)
N/A

>  <Target> (141)
E3 Ligase ,Immunology & Inflammation related

>  <Form> (141)
Free Base

>  <CAS> (141)
1015474-32-4

>  <URL> (141)
http://selleckchem.com/products/cc-122.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/03272410542D

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 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 11  1  0  0  0  0
  9 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 22  9  1  0  0  0  0
 12 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (142)
3313

>  <Formula> (142)
C19H15N3O2

>  <MolWeight> (142)
317.3413

>  <Cat> (142)
S7954

>  <Name> (142)
CP21R7 (CP21)

>  <Synonyms> (142)
N/A

>  <Target> (142)
GSK-3,Wnt/beta-catenin

>  <Form> (142)
free base

>  <CAS> (142)
125314-13-8

>  <URL> (142)
http://selleckchem.com/products/cp21r7-cp21.html

$$$$
LF3.cdx
csChFnd80/03272410542D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
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M  END
>  <Mol_ID> (143)
3332

>  <Formula> (143)
C20H24N4O2S2

>  <MolWeight> (143)
416.56016

>  <Cat> (143)
S8474

>  <Name> (143)
LF3

>  <Synonyms> (143)
N/A

>  <Target> (143)
Wnt/beta-catenin

>  <Form> (143)
free base

>  <CAS> (143)
664969-54-4

>  <URL> (143)
http://selleckchem.com/products/lf3.html

$$$$
VLX1570.cdx
csChFnd80/03272410542D

 34 36  0  0  0  0  0  0  0  0999 V2000
    2.3987    6.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (144)
3348

>  <Formula> (144)
C23H17F2N3O6

>  <MolWeight> (144)
469.3943864

>  <Cat> (144)
S8288

>  <Name> (144)
VLX1570

>  <Synonyms> (144)
N/A

>  <Target> (144)
DUB

>  <Form> (144)
free base

>  <CAS> (144)
1431280-51-1

>  <URL> (144)
http://selleckchem.com/products/vlx1570.html

$$$$
3BDO.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (145)
3370

>  <Formula> (145)
C18H17NO5

>  <MolWeight> (145)
327.33128

>  <Cat> (145)
S8317

>  <Name> (145)
3BDO

>  <Synonyms> (145)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (145)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (145)
free base

>  <CAS> (145)
890405-51-3

>  <URL> (145)
http://selleckchem.com/products/3bdo.html

$$$$
GSK2982772.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (146)
3373

>  <Formula> (146)
C20H19N5O3

>  <MolWeight> (146)
377.39656

>  <Cat> (146)
S8484

>  <Name> (146)
GSK2982772

>  <Synonyms> (146)
N/A

>  <Target> (146)
RIP kinase,TNF-alpha

>  <Form> (146)
free base

>  <CAS> (146)
1622848-92-3

>  <URL> (146)
http://selleckchem.com/products/gsk2982772.html

$$$$
SF2523.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (147)
3375

>  <Formula> (147)
C19H17NO5S

>  <MolWeight> (147)
371.40698

>  <Cat> (147)
S8589

>  <Name> (147)
SF2523

>  <Synonyms> (147)
N/A

>  <Target> (147)
DNA-PK,Epigenetic Reader Domain,mTOR,PI3K

>  <Form> (147)
free base

>  <CAS> (147)
1174428-47-7

>  <URL> (147)
http://selleckchem.com/products/sf2523.html

$$$$
GNF-6231.cdx
csChFnd80/03272410542D

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>  <Mol_ID> (148)
3431

>  <Formula> (148)
C24H25FN6O2

>  <MolWeight> (148)
448.4927032

>  <Cat> (148)
S8644

>  <Name> (148)
GNF-6231

>  <Synonyms> (148)
N/A

>  <Target> (148)
PORCN

>  <Form> (148)
free base

>  <CAS> (148)
1243245-18-2

>  <URL> (148)
http://selleckchem.com/products/gnf-6231.html

$$$$
iCRT3.cdx
csChFnd80/03272410542D

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>  <Mol_ID> (149)
3446

>  <Formula> (149)
C23H26N2O2S

>  <MolWeight> (149)
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>  <Cat> (149)
S8647

>  <Name> (149)
iCRT3

>  <Synonyms> (149)
N/A

>  <Target> (149)
Wnt/beta-catenin

>  <Form> (149)
free base

>  <CAS> (149)
901751-47-1

>  <URL> (149)
http://selleckchem.com/products/icrt3.html

$$$$
CA3.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (150)
3471

>  <Formula> (150)
C23H27N3O5S2

>  <MolWeight> (150)
489.60758

>  <Cat> (150)
S8661

>  <Name> (150)
CA3 (CIL56)

>  <Synonyms> (150)
N/A

>  <Target> (150)
Ferroptosis,ROS,TEAD,YAP

>  <Form> (150)
free base

>  <CAS> (150)
300802-28-2

>  <URL> (150)
http://selleckchem.com/products/ca3.html

$$$$
2-D08.cdx
csChFnd80/03272410542D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (151)
3527

>  <Formula> (151)
C15H10O5

>  <MolWeight> (151)
270.2369

>  <Cat> (151)
S8696

>  <Name> (151)
2-D08

>  <Synonyms> (151)
2',3',4'-trihydroxy flavone

>  <Target> (151)
SUMO

>  <Form> (151)
free base

>  <CAS> (151)
144707-18-6

>  <URL> (151)
http://selleckchem.com/products/2-d08.html

$$$$
IWP-O1.cdx
csChFnd80/03272410542D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (152)
3558

>  <Formula> (152)
C26H20N6O

>  <MolWeight> (152)
432.4766

>  <Cat> (152)
S8645

>  <Name> (152)
IWP-O1

>  <Synonyms> (152)
N/A

>  <Target> (152)
PORCN

>  <Form> (152)
free base

>  <CAS> (152)
2074607-48-8

>  <URL> (152)
http://selleckchem.com/products/iwp-O1.html

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/03272410542D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (153)
3584

>  <Formula> (153)
C18H13BrN2O4S2

>  <MolWeight> (153)
465.34082

>  <Cat> (153)
S8652

>  <Name> (153)
Skp2 inhibitor C1 (SKPin C1)

>  <Synonyms> (153)
N/A

>  <Target> (153)
E3 Ligase 

>  <CAS> (153)
432001-69-9

>  <URL> (153)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

$$$$
S5315  PRT4165.cdx
csChFnd80/03272410542D

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M  END
>  <Mol_ID> (154)
3658

>  <Formula> (154)
C15H9NO2

>  <MolWeight> (154)
235.23746

>  <Cat> (154)
S5315

>  <Name> (154)
PRT4165

>  <Synonyms> (154)
N/A

>  <Target> (154)
BMI-1,E3 Ligase 

>  <Form> (154)
free base

>  <CAS> (154)
31083-55-3

>  <URL> (154)
http://selleckchem.com/products/prt4165.html

$$$$
GSK'963.cdx
csChFnd80/03272410542D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (155)
3730

>  <Formula> (155)
C14H18N2O

>  <MolWeight> (155)
230.30552

>  <Cat> (155)
S8642

>  <Name> (155)
GSK'963

>  <Synonyms> (155)
N/A

>  <Target> (155)
RIP kinase

>  <Form> (155)
free base

>  <CAS> (155)
2049868-46-2

>  <URL> (155)
http://selleckchem.com/products/gsk963.html

$$$$
S9416 Triptonide.cdx
csChFnd80/03272410542D

 27 33  0  0  0  0  0  0  0  0999 V2000
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  3  6  1  0  0  0  0
  4  8  1  0  0  0  0
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  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
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  2  4  1  0  0  0  0
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M  END
>  <Mol_ID> (156)
4042

>  <Formula> (156)
C20H22O6

>  <MolWeight> (156)
358.38508

>  <Cat> (156)
S9416

>  <Name> (156)
Triptonide

>  <Target> (156)
Wnt/beta-catenin

>  <Form> (156)
free base

>  <CAS> (156)
38647-11-9

>  <URL> (156)
https://www.selleckchem.com/products/triptonide.html

$$$$
S9432 Ginkgolic Acid.cdx
csChFnd80/03272410542D

 25 25  0  0  0  0  0  0  0  0999 V2000
    2.4156    4.2036    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
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
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  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (157)
4056

>  <Formula> (157)
C22H34O3

>  <MolWeight> (157)
346.50356

>  <Cat> (157)
S9432

>  <Name> (157)
Ginkgolic Acid

>  <Target> (157)
Histone Acetyltransferase,SUMO

>  <Form> (157)
free base

>  <CAS> (157)
22910-60-7

>  <URL> (157)
https://www.selleckchem.com/products/ginkgolic-acid-s9432.html

$$$$
S9445 Ginkgolic Acid (C130).cdx
csChFnd80/03272410542D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (158)
4067

>  <Formula> (158)
C20H32O3

>  <MolWeight> (158)
320.46628

>  <Cat> (158)
S9445

>  <Name> (158)
Ginkgolic Acid (C13:0)

>  <Target> (158)
Histone Acetyltransferase,SUMO

>  <Form> (158)
free base

>  <CAS> (158)
20261-38-5

>  <URL> (158)
https://www.selleckchem.com/products/ginkgolic-acid-s9445.html

$$$$

csChFnd80/03272410542D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (159)
4080

>  <Formula> (159)
C11H14ClNO3

>  <MolWeight> (159)
243.68676

>  <Cat> (159)
S5841

>  <Name> (159)
DKM 2-93

>  <Synonyms> (159)
N/A

>  <Target> (159)
E1 Activating

>  <Form> (159)
Free Base

>  <CAS> (159)
65836-72-8

>  <URL> (159)
http://www.selleckchem.com/products/dkm2-93.html

$$$$

csChFnd80/03272410542D

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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 19  7  1  0  0  0  0
  8 20  1  0  0  0  0
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 23 24  1  0  0  0  0
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 14 25  1  0  0  0  0
 12 29  1  0  0  0  0
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M  END
>  <Mol_ID> (160)
4152

>  <Formula> (160)
C17H20F3N7O2

>  <MolWeight> (160)
411.3816096

>  <Cat> (160)
S8738

>  <Name> (160)
Bimiralisib (PQR309)

>  <Synonyms> (160)
N/A

>  <Target> (160)
mTOR,PI3K

>  <Form> (160)
Free Base

>  <CAS> (160)
1225037-39-7

>  <URL> (160)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/03272410542D

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    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 F   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
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1414    6.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2626    9.4512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5940    9.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6344    9.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9659    9.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0063   10.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2570    8.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8851    7.6492    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
  3  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
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 13  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 20 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 21  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 33 38  2  0  0  0  0
M  END
>  <Mol_ID> (161)
4163

>  <Formula> (161)
C29H24FN7O

>  <MolWeight> (161)
505.5455632

>  <Cat> (161)
S8761

>  <Name> (161)
Adavivint (SM04690)

>  <Synonyms> (161)
Lorecivivint

>  <Target> (161)
Wnt/beta-catenin

>  <Form> (161)
Free Base

>  <CAS> (161)
1467093-03-3

>  <URL> (161)
http://www.selleckchem.com/products/adavivint.html

$$$$
S9106 Eleutheroside E.cdx
csChFnd80/03272410542D

 54 59  0  0  0  0  0  0  0  0999 V2000
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    7.7580   13.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5168   17.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.9484   14.7041    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9429   17.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8225   18.3977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3 54  1  6  0  0  0
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  7  9  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
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 21 27  1  0  0  0  0
 21 25  2  0  0  0  0
 28 22  1  6  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
 34 29  1  1  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 33 37  1  1  0  0  0
 34 38  1  0  0  0  0
 34 39  1  0  0  0  0
 35 40  1  0  0  0  0
 35 41  1  6  0  0  0
 36 42  1  6  0  0  0
 36 40  1  0  0  0  0
 38 43  1  0  0  0  0
 39 44  1  0  0  0  0
 39 45  1  6  0  0  0
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M  END
>  <Mol_ID> (162)
4239

>  <Formula> (162)
C34H46O18

>  <MolWeight> (162)
742.71824

>  <Cat> (162)
S9106

>  <Name> (162)
Eleutheroside E

>  <Target> (162)
Immunology & Inflammation related,NF-¦ÊB

>  <Form> (162)
free base

>  <CAS> (162)
39432-56-9

>  <URL> (162)
https://www.selleckchem.com/products/eleutheroside-e.html

$$$$
S9159 Momordin Ic.cdx
csChFnd80/03272410542D

 59 65  0  0  0  0  0  0  0  0999 V2000
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    3.7743    2.0963    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9791    1.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1976    2.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9911    4.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1969    3.4843    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2257    6.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0001    5.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4315    5.5681    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4080    4.1721    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   17.1470    5.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1470    8.3009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3581    7.5996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.3530    6.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5572    5.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7742    6.1900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.7792    7.5909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.5673    8.2998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1830    4.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4226    6.9765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8305    6.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7107    4.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9844    8.3009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7679    4.9012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7607    0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3941    2.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6336    4.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5135    9.0018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3510    9.0018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   21.9844    5.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9916    4.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4159    6.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4241    4.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9718    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5426    0.0071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9217    3.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4923    3.4068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  1  2  1  0  0  0  0
 27 30  1  6  0  0  0
  1  4  1  0  0  0  0
 28 31  1  1  0  0  0
  2  3  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
  5  9  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 17 18  1  0  0  0  0
 10 38  1  1  0  0  0
  6  7  1  0  0  0  0
 13 39  1  1  0  0  0
  7  8  1  0  0  0  0
 18 40  1  1  0  0  0
  8 10  1  0  0  0  0
 26 41  1  1  0  0  0
  9 10  1  0  0  0  0
 36 42  1  1  0  0  0
  3  6  1  0  0  0  0
  5 43  1  6  0  0  0
  5  4  1  0  0  0  0
  6 44  1  6  0  0  0
 17 22  1  0  0  0  0
 14 45  1  6  0  0  0
 18 19  1  0  0  0  0
 17 46  1  6  0  0  0
 19 20  1  0  0  0  0
 24 47  1  6  0  0  0
 20 21  1  0  0  0  0
 29 48  1  6  0  0  0
 21 22  1  0  0  0  0
 32 49  1  6  0  0  0
  5  6  1  0  0  0  0
 37 50  1  6  0  0  0
 20 23  1  6  0  0  0
 35 51  1  6  0  0  0
  1 52  1  0  0  0  0
 23 24  1  0  0  0  0
  1 53  1  0  0  0  0
 24 25  1  0  0  0  0
 19 54  1  0  0  0  0
  9 12  2  0  0  0  0
 19 55  1  0  0  0  0
 10 14  1  0  0  0  0
 44 56  1  0  0  0  0
 13 11  1  0  0  0  0
 44 57  2  0  0  0  0
 11 12  1  0  0  0  0
 41 58  1  0  0  0  0
 13 14  1  0  0  0  0
 41 59  2  0  0  0  0
M  END
>  <Mol_ID> (163)
4281

>  <Formula> (163)
C41H64O13

>  <MolWeight> (163)
764.93906

>  <Cat> (163)
S9159

>  <Name> (163)
momordin-Ic

>  <Target> (163)
SUMO

>  <Form> (163)
free base

>  <CAS> (163)
96990-18-0

>  <URL> (163)
https://www.selleckchem.com/products/momordin-ic.html

$$$$
S9042 Wedelolactone.cdx
csChFnd80/03272410542D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.9691    3.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7936    2.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5368    4.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1857    2.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6382    2.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9722    1.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401    1.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7534    3.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9290    4.8225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0101    1.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4286    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2134    2.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4424    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0038    0.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3621    2.8559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1865    1.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  5  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  2  1  0  0  0  0
  9  3  1  0  0  0  0
 17  3  2  0  0  0  0
 10  4  1  0  0  0  0
  4  8  2  0  0  0  0
  7  5  2  0  0  0  0
 11  5  1  0  0  0  0
  6  7  1  0  0  0  0
 12  7  1  0  0  0  0
  8  9  1  0  0  0  0
 13  8  1  0  0  0  0
 15 10  2  0  0  0  0
 19 10  1  0  0  0  0
 14 11  2  0  0  0  0
 16 12  2  0  0  0  0
 18 13  2  0  0  0  0
 20 14  1  0  0  0  0
 16 14  1  0  0  0  0
 15 18  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (164)
4495

>  <Formula> (164)
C16H10O7

>  <MolWeight> (164)
314.2464

>  <Cat> (164)
S9042

>  <Name> (164)
Wedelolactone

>  <Synonyms> (164)
FW73945

>  <Target> (164)
Caspase,I¦ÊB/IKK

>  <Form> (164)
free base

>  <CAS> (164)
524-12-9

>  <URL> (164)
https://www.selleckchem.com/products/wedelolactone.html

$$$$

csChFnd80/03272410542D

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.3030    3.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3030    1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723    1.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639    1.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639    3.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0888    4.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6931    4.5314    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5930    3.4589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7932    5.6038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7656    5.4313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3755    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2754    2.1449    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4479    0.1726    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4755    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.7222    3.9935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500    3.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3264    3.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0812    4.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1523    5.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4719    5.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515    4.0393    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3515    5.2518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9515    2.8269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4390    4.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    4.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    6.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    6.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  2 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 10 18  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 21 24  1  0  0  0  0
  5 21  1  0  0  0  0
M  END
>  <Mol_ID> (165)
4723

>  <Formula> (165)
C18H19F3N2O4S2

>  <MolWeight> (165)
448.4796696

>  <Cat> (165)
S5815

>  <Name> (165)
WAY-316606

>  <Synonyms> (165)
N/A

>  <Target> (165)
SFRP,Wnt/beta-catenin

>  <Form> (165)
Free Base

>  <CAS> (165)
915759-45-4

>  <URL> (165)
http://www.selleckchem.com/products/way-316606.html

$$$$

csChFnd80/03272410542D

 33 37  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   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
   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
    9.6995    4.9000    0.0000 C   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
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6760    5.9641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.1663    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5663    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2663    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5663    4.7124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1663    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    5.9249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6663    3.5000    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
  7  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  9  1  0  0  0  0
  8 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
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 18  1  0  0  0  0
 24 25  2  0  0  0  0
 26 23  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 31 32  2  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (166)
5041

>  <Formula> (166)
C25H27N3O5

>  <MolWeight> (166)
449.49898

>  <Cat> (166)
S8760

>  <Name> (166)
Iberdomide (CC220)

>  <Synonyms> (166)
N/A

>  <Target> (166)
Apoptosis related,E3 Ligase ,E3 ligase Ligand,Immunology & Inflammation related

>  <Form> (166)
free base

>  <CAS> (166)
1323403-33-3

>  <URL> (166)
http://www.selleck.cn/products/iberdomide.html

$$$$

csChFnd80/03272410542D

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.0620    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    9.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620   11.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.7875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6332   11.1922    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7658    9.2305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7026   10.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   11.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949   10.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6644    8.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0566    8.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8796    9.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3102   11.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9180   11.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    5.5999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620    5.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4620    5.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  5 10  1  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
 14 18  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
 17 19  1  0  0  0  0
  9 15  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  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
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 29 34  2  0  0  0  0
 32 35  1  0  0  0  0
 26 29  1  0  0  0  0
 25 26  1  0  0  0  0
  3 25  1  0  0  0  0
M  END
>  <Mol_ID> (167)
6655

>  <Formula> (167)
C24H18F3N3O3S2

>  <MolWeight> (167)
517.5432296

>  <Cat> (167)
S6748

>  <Name> (167)
ML364

>  <Synonyms> (167)
N/A

>  <Target> (167)
DUB

>  <Form> (167)
Free Base

>  <CAS> (167)
1991986-30-1

>  <URL> (167)
http://www.selleck.cn/products/ml364.html

$$$$

csChFnd80/03272410542D

 25 26  0  0  0  0  0  0  0  0999 V2000
   12.1771    4.2005    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    9.0705    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5622    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.0497    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    7.4746    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5313    6.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8940    7.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1066    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 23  1  0  0  0  0
  3 25  1  0  0  0  0
  4 25  1  0  0  0  0
  5 25  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  2  0  0  0  0
 13 19  1  0  0  0  0
 14 22  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  2  0  0  0  0
 18 25  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (168)
6738

>  <Formula> (168)
C17H16BrF4NO2

>  <MolWeight> (168)
422.2120528

>  <Cat> (168)
S8904

>  <Name> (168)
USP25/28 inhibitor AZ1

>  <Synonyms> (168)
N/A

>  <Target> (168)
DUB

>  <Form> (168)
Free Base

>  <CAS> (168)
2165322-94-9

>  <URL> (168)
http://www.selleck.cn/products/usp25-28-inhibitor-az1.html

$$$$

csChFnd80/03272410542D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.1925    4.8823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9924    4.9148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9719    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9631    5.2449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3635    8.0503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000    2.4618    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5050    1.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1051    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4925    3.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    2.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9631    3.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9485    1.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1697    3.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1638    1.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1777    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1777    7.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3 15  2  0  0  0  0
  4 19  1  0  0  0  0
  4 23  1  0  0  0  0
  5 18  2  0  0  0  0
  6 24  1  0  0  0  0
  7 24  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (169)
6825

>  <Formula> (169)
C15H12N2O7

>  <MolWeight> (169)
332.26498

>  <Cat> (169)
S6794

>  <Name> (169)
Thalidomide-O-COOH (Cereblon ligand 3)

>  <Synonyms> (169)
E3 ligase Ligand 3

>  <Target> (169)
E3 Ligase ,E3 ligase Ligand

>  <Form> (169)
Free Base

>  <CAS> (169)
1061605-21-7

>  <URL> (169)
http://www.selleckchem.com/products/thalidomide-o-cooh.html

$$$$

csChFnd80/03272410542D

 61 66  0  0  0  0  0  0  0  0999 V2000
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    0.5107   14.9466    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9059   12.5300    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.6912   13.1985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3995    8.1475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5245    7.9450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7746   11.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21  5  1  6  0  0  0
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 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 37  1  0  0  0  0
 35 38  2  0  0  0  0
 36 40  1  0  0  0  0
 37 39  2  0  0  0  0
 38 39  1  0  0  0  0
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 44 46  2  0  0  0  0
 44 47  1  0  0  0  0
 46 48  1  0  0  0  0
 47 49  2  0  0  0  0
 48 50  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 53  1  0  0  0  0
 55 56  2  0  0  0  0
 55 57  1  0  0  0  0
 56 58  1  0  0  0  0
 57 59  2  0  0  0  0
 58 60  2  0  0  0  0
 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (170)
6848

>  <Formula> (170)
C43H46F3N7O7S

>  <MolWeight> (170)
861.9282496

>  <Cat> (170)
S8888

>  <Name> (170)
GMB-475

>  <Synonyms> (170)
N/A

>  <Target> (170)
Bcr-Abl,E3 Ligase ,PROTAC

>  <Form> (170)
Free Base

>  <CAS> (170)
2490599-18-1

>  <URL> (170)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/03272410542D

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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  2  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
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 15 16  1  0  0  0  0
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M  END
>  <Mol_ID> (171)
6894

>  <Formula> (171)
C21H22ClNO

>  <MolWeight> (171)
339.85848

>  <Cat> (171)
S4922

>  <Name> (171)
NSC 632839

>  <Synonyms> (171)
N/A

>  <Target> (171)
DUB,SUMO

>  <Form> (171)
Free Base

>  <CAS> (171)
157654-67-6

>  <URL> (171)
http://www.selleckchem.com/products/nsc-632839.html

$$$$

csChFnd80/03272410542D

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    1.2124   10.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564   13.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 15 16  1  0  0  0  0
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 21 16  1  0  0  0  0
 18 22  1  1  0  0  0
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 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
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 37 33  1  0  0  0  0
 34 38  1  0  0  0  0
M  END
>  <Mol_ID> (172)
6939

>  <Formula> (172)
C29H32N4O4S

>  <MolWeight> (172)
532.65378

>  <Cat> (172)
S0095

>  <Name> (172)
VL285

>  <Synonyms> (172)
N/A

>  <Target> (172)
E3 Ligase ,E3 ligase Ligand,PROTAC

>  <Form> (172)
free base

>  <CAS> (172)
1448188-57-5

>  <URL> (172)
http://www.selleckchem.com/products/vl285.html

$$$$

csChFnd80/03272410542D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.6208   16.7334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0535   15.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9208   10.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0322    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6115    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 20 15  1  1  0  0  0
 15 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 23 29  1  6  0  0  0
 17 30  1  6  0  0  0
M  END
>  <Mol_ID> (173)
6940

>  <Formula> (173)
C22H30N4O3S

>  <MolWeight> (173)
430.5636

>  <Cat> (173)
S0097

>  <Name> (173)
(S,R,S)-AHPC (MDK7526)

>  <Synonyms> (173)
VH032-NH2, VHL ligand 1

>  <Target> (173)
Androgen Receptor,E3 Ligase ,E3 ligase Ligand,PROTAC

>  <Form> (173)
free base

>  <CAS> (173)
1448297-52-6

>  <URL> (173)
http://www.selleckchem.com/products/s-r-s-ahpc-mdk7526.html

$$$$

csChFnd80/03272410542D

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  2 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  2  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 11  1  0  0  0  0
 20 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 21  1  0  0  0  0
M  END
>  <Mol_ID> (174)
6955

>  <Formula> (174)
C23H25ClN4O

>  <MolWeight> (174)
408.9238

>  <Cat> (174)
S0219

>  <Name> (174)
ML241 hydrochloride

>  <Synonyms> (174)
N/A

>  <Target> (174)
ATPase

>  <Form> (174)
free base

>  <CAS> (174)
2070015-13-1

>  <URL> (174)
http://www.selleckchem.com/products/ml-241-hcl.html

$$$$

csChFnd80/03272410542D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.8437    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0561    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2686    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2686    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0561    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6312    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4208    6.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4810    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6934    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4810    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2686    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0561    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0561    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2686    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6934    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1163    4.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3287    4.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5411    4.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5411    6.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3287    6.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1163    6.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3287    8.3988    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.7536    6.9988    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3012    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
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 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
 11 19  1  0  0  0  0
 11 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
 24 28  1  0  0  0  0
  9 29  1  0  0  0  0
M  END
>  <Mol_ID> (175)
6969

>  <Formula> (175)
C23H29Cl2N3O

>  <MolWeight> (175)
434.40186

>  <Cat> (175)
S0346

>  <Name> (175)
NAcM-OPT

>  <Synonyms> (175)
N/A

>  <Target> (175)
ADC Cytotoxin,E2 conjugating

>  <Form> (175)
free base

>  <CAS> (175)
2089293-61-6

>  <URL> (175)
http://www.selleckchem.com/products/nacm-opt.html

$$$$

csChFnd80/03272410542D

 21 24  0  0  0  0  0  0  0  0999 V2000
    6.1812    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    1.6674    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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
    1.2124    4.2000    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
    0.0000    2.1000    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1041    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5041    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5041    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1041    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  6 13  1  0  0  0  0
  8 13  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
>  <Mol_ID> (176)
6973

>  <Formula> (176)
C17H9NO3

>  <MolWeight> (176)
275.25826

>  <Cat> (176)
S0399

>  <Name> (176)
SJB2-043

>  <Synonyms> (176)
N/A

>  <Target> (176)
DUB

>  <Form> (176)
free base

>  <CAS> (176)
63388-44-3

>  <URL> (176)
http://www.selleckchem.com/products/sjb2-043.html

$$$$

csChFnd80/03272410542D

 30 35  0  0  0  0  0  0  0  0999 V2000
    2.3278    6.5270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9317   10.8647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9891   12.0064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2770    1.3284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2535    0.1392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1406    4.5244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0352    6.5227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7071    6.5227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8712    5.8506    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4840    5.8415    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7071    7.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8927    4.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4732    4.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5431    7.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6857    3.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8712    8.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0352    7.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4840    8.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1721    3.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1991    5.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8927    9.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6744    2.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1947    2.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6857   10.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4732    9.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9373    1.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1562    5.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3744   12.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6963    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  6  0  0  0
  1 27  1  0  0  0  0
  2 21  1  0  0  0  0
  2 28  1  0  0  0  0
  3 24  1  0  0  0  0
  3 28  1  0  0  0  0
  4 23  1  0  0  0  0
  4 29  1  0  0  0  0
  5 26  1  0  0  0  0
  5 29  1  0  0  0  0
  6 27  2  0  0  0  0
  9  7  1  6  0  0  0
  7 17  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  1  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 16  2  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 12 19  2  0  0  0  0
 13 15  1  0  0  0  0
 15 22  2  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 18 25  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 26  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (177)
7055

>  <Formula> (177)
C23H23NO6

>  <MolWeight> (177)
409.43182

>  <Cat> (177)
S3269

>  <Name> (177)
Acetylcorynoline

>  <Synonyms> (177)
N/A

>  <Target> (177)
Anti-infection,Apoptosis related,Proteasome

>  <Form> (177)
free base

>  <CAS> (177)
18797-80-3

>  <URL> (177)
http://www.selleckchem.com/products/acetylcorynoline.html

$$$$

csChFnd80/03272410542D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6499    7.0028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8602    4.9065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7096    6.3040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    4.2078    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6499    2.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4321    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4321    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8590    2.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    2.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8590    0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    7.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    0.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8602    6.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    8.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0181    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    6.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    9.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    7.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8602    9.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4991    8.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4397    4.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 14  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 18  1  0  0  0  0
 13 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 18 20  2  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
  4  2  1  0  0  0  0
  4 23  1  1  0  0  0
M  END
>  <Mol_ID> (178)
7105

>  <Formula> (178)
C20H20N2O

>  <MolWeight> (178)
304.3856

>  <Cat> (178)
S6845

>  <Name> (178)
GRL0617

>  <Synonyms> (178)
N/A

>  <Target> (178)
DUB,SARS-CoV

>  <Form> (178)
free base

>  <CAS> (178)
1093070-16-6

>  <URL> (178)
http://www.selleckchem.com/products/grl0617.html

$$$$

csChFnd80/03272410542D

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    9.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   10.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   12.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   13.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   12.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   12.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   13.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   12.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   14.6733    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   13.2757    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   14.6733    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6826   13.2757    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4264    0.7559    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 16 18  2  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 21  1  0  0  0  0
 22 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 22  1  0  0  0  0
 25 33  1  0  0  0  0
 24 34  1  0  0  0  0
 30 35  1  0  0  0  0
 29 36  1  0  0  0  0
M  END
>  <Mol_ID> (179)
7108

>  <Formula> (179)
C28H23Cl5N2O2

>  <MolWeight> (179)
596.75942

>  <Cat> (179)
S6851

>  <Name> (179)
RA-190

>  <Synonyms> (179)
N/A

>  <Target> (179)
Autophagy,p53,Proteasome

>  <Form> (179)
free base

>  <CAS> (179)
1617495-03-0

>  <URL> (179)
http://www.selleckchem.com/products/ra-190.html

$$$$

csChFnd80/03272410542D

 29 30  0  0  0  0  0  0  0  0999 V2000
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    4.8535    4.2252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3462    6.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9176    4.9095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2784    4.2189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4963    6.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4926    4.9157    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7033    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1282    4.2063    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2857    7.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7106    7.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    2.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3352    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3426    4.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0677    4.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3316    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5423    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7601    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6428    4.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7565    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0036    4.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5532    4.2001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 16  1  0  0  0  0
  2 21  1  0  0  0  0
  3 15  2  0  0  0  0
  4 16  2  0  0  0  0
  5  9  1  0  0  0  0
 10  5  1  0  0  0  0
  8  6  1  0  0  0  0
  6 16  1  0  0  0  0
  8  7  1  1  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
>  <Mol_ID> (180)
7134

>  <Formula> (180)
C22H26N2O4

>  <MolWeight> (180)
382.45284

>  <Cat> (180)
S7394

>  <Name> (180)
MDL-28170

>  <Synonyms> (180)
Calpain Inhibitor III

>  <Target> (180)
Cysteine Protease

>  <Form> (180)
free base

>  <CAS> (180)
88191-84-8

>  <URL> (180)
http://www.selleckchem.com/products/mdl-28170.html

$$$$

csChFnd80/03272410542D

 27 28  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.3302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.3302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0302    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    3.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    1.3367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2236    4.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4178    3.4302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2673    4.2628    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   11.5658    5.6306    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.7128    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.8205    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
  7  8  1  0  0  0  0
  5  7  1  0  0  0  0
  2  5  1  0  0  0  0
 14 15  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
 16 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 19 21  1  0  0  0  0
 16 24  1  0  0  0  0
 15 20  1  0  0  0  0
  4 14  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
M  END
>  <Mol_ID> (181)
7168

>  <Formula> (181)
C13H14Cl3N7O4

>  <MolWeight> (181)
438.65376

>  <Cat> (181)
S9605

>  <Name> (181)
Apcin

>  <Synonyms> (181)
N/A

>  <Target> (181)
APC,CDK,E3 Ligase 

>  <Form> (181)
free base

>  <CAS> (181)
300815-04-7

>  <URL> (181)
http://www.selleckchem.com/products/apcin.html

$$$$

csChFnd80/03272410542D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.2539    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8912    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0415    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6788    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8290    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6166    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301    6.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    5.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8290    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2539    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6788    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8912    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8912    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6788    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8912    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1036    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 25  2  0  0  0  0
  5  3  1  0  0  0  0
  3 11  1  0  0  0  0
  4 21  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  1  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  8 16  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 16 20  1  0  0  0  0
 17 22  1  0  0  0  0
 17 24  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  2  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (182)
7196

>  <Formula> (182)
C22H22N2O2

>  <MolWeight> (182)
346.42228

>  <Cat> (182)
S0515

>  <Name> (182)
PLpro inhibitor

>  <Synonyms> (182)
N/A

>  <Target> (182)
DUB,SARS-CoV

>  <Form> (182)
Free Base

>  <CAS> (182)
1093070-14-4

>  <URL> (182)
https://www.selleckchem.com/products/plpro-inhibitor.html

$$$$

csChFnd80/03272410542D

 78 87  0  0  0  0  0  0  0  0999 V2000
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   12.1218    2.0998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9091    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1216    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6968    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9091    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6968    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9091    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9091    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3244    6.4157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4845    5.5998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2720    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9096    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (183)
7258

>  <Formula> (183)
C50H83NO21

>  <MolWeight> (183)
1034.18812

>  <Cat> (183)
S9444

>  <Name> (183)
Tomatine

>  <Synonyms> (183)
Lycopersicin

>  <Target> (183)
Fungal

>  <Form> (183)
Free Base

>  <CAS> (183)
17406-45-0

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

$$$$

csChFnd80/03272410542D

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M  END
>  <Mol_ID> (184)
7347

>  <Formula> (184)
C19H15N3O5

>  <MolWeight> (184)
365.3395

>  <Cat> (184)
S0884

>  <Name> (184)
RA-9

>  <Synonyms> (184)
N/A

>  <Target> (184)
Apoptosis related,DUB

>  <Form> (184)
Free Base

>  <CAS> (184)
919091-63-7

>  <URL> (184)
https://www.selleckchem.com/products/ra-9.html

$$$$

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M  END
>  <Mol_ID> (185)
7521

>  <Formula> (185)
C40H52N8O10S2

>  <MolWeight> (185)
869.01848

>  <Cat> (185)
S8979

>  <Name> (185)
THAL-SNS-032

>  <Synonyms> (185)
N/A

>  <Target> (185)
CDK,E3 Ligase ,PROTAC

>  <Form> (185)
Free Base

>  <CAS> (185)
2139287-33-3

>  <URL> (185)
https://www.selleckchem.com/products/thal-sns-032.html

$$$$

csChFnd80/03272410542D

 30 34  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
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 13 14  1  0  0  0  0
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 16 11  1  0  0  0  0
  4 17  1  0  0  0  0
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 20  5  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 26 22  1  0  0  0  0
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 29 30  2  0  0  0  0
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M  END
>  <Mol_ID> (186)
7568

>  <Formula> (186)
C24H24N2O3S

>  <MolWeight> (186)
420.52396

>  <Cat> (186)
S9724

>  <Name> (186)
SZL P1-41

>  <Synonyms> (186)
N/A

>  <Target> (186)
Apoptosis related,E3 Ligase 

>  <Form> (186)
Free Base

>  <CAS> (186)
222716-34-9

>  <URL> (186)
http://www.selleckchem.com/products/szl-p1-41.html

$$$$

csChFnd80/03272410542D

 34 35  0  0  0  0  0  0  0  0999 V2000
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   12.2031    3.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1249    8.4860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1843    8.8882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2859    2.1328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7123    8.7294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23 26  1  0  0  0  0
 27 28  1  0  0  0  0
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 31 33  1  0  0  0  0
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M  END
>  <Mol_ID> (187)
7680

>  <Formula> (187)
C20H23BCl2N2O9

>  <MolWeight> (187)
517.12162

>  <Cat> (187)
S4432

>  <Name> (187)
Ixazomib Citrate (MLN9708)

>  <Synonyms> (187)
Ninlaro

>  <Target> (187)
Proteasome

>  <Form> (187)
Free Base

>  <CAS> (187)
1239908-20-3

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

$$$$
2-Methyl-1-[5,6,7,8-tetrahydro-4-[(phenylmethyl)amino]pyrido[2,3-d]pyrimidin-...
csChFnd80/03272410542D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (188)
9620

>  <Formula> (188)
C24H24N6O

>  <MolWeight> (188)
412.48696

>  <Cat> (188)
S9865

>  <Name> (188)
CB-5339

>  <Target> (188)
p97

>  <Form> (188)
Free base

>  <CAS> (188)
1863952-15-1

>  <URL> (188)
https://www.selleckchem.com/products/cb-5339.html

$$$$
N-[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl]-2-(tri...
csChFnd80/03272410542D

 34 37  0  0  0  0  0  0  0  0999 V2000
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  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
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  6 29  1  0  0  0  0
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  9 30  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
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 14 23  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
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 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
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 29 30  2  0  0  0  0
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 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (189)
9716

>  <Formula> (189)
C20H14F3N3O7S

>  <MolWeight> (189)
497.4012696

>  <Cat> (189)
E1300

>  <Name> (189)
SJ6986

>  <Target> (189)
E3 Ligase

>  <Form> (189)
free base

>  <CAS> (189)
2765625-93-0

>  <URL> (189)
https://www.selleckchem.com/products/sj6986.html

$$$$
N-(4-Acetylphenyl)-3-(5-ethyl-2-furanyl)-2-propenamide
csChFnd80/03272410542D

 21 22  0  0  0  0  0  0  0  0999 V2000
   10.6696    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9722    4.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8775    6.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3348    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  3  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  CFW   0 B_NG_STER 3
M  END
>  <Mol_ID> (190)
9726

>  <Formula> (190)
C17H17NO3

>  <MolWeight> (190)
283.32178

>  <Cat> (190)
E1216

>  <Name> (190)
Heclin

>  <Target> (190)
Others

>  <Form> (190)
free base

>  <CAS> (190)
890605-54-6

>  <URL> (190)
https://www.selleckchem.com/products/heclin.html

$$$$

csChFnd80/03272410542D

 67 73  0  0  1  0  0  0  0  0999 V2000
    8.5291    1.6109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0597    1.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 44  2  0  0  0  0
 40 45  1  0  0  0  0
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 44 46  1  0  0  0  0
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 65 67  1  0  0  0  0
 66 67  1  0  0  0  0
M  END
>  <Mol_ID> (191)
9727

>  <Formula> (191)
C48H52F4N6O9

>  <MolWeight> (191)
932.9548928

>  <Cat> (191)
E1215

>  <Name> (191)
JQAD1

>  <Target> (191)
Histone Acetyltransferase

>  <Form> (191)
free base

>  <CAS> (191)
2417097-18-6

>  <URL> (191)
https://www.selleckchem.com/products/jqad1.html

$$$$
2-(Chloromethyl)-6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4(3H)-one
csChFnd80/03272410542D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (192)
9851

>  <Formula> (192)
C13H8Cl2N2OS

>  <MolWeight> (192)
311.18642

>  <Cat> (192)
E1812

>  <Name> (192)
N6F11

>  <Target> (192)
Ferroptosis

>  <Form> (192)
Free base

>  <CAS> (192)
851398-76-0

>  <URL> (192)
https://www.selleckchem.com/products/n6f11.html

$$$$
1,5-Dihydro-2-imino-10-methyl-N-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-1-[2-...
csChFnd80/03272410542D

 36 40  0  0  0  0  0  0  0  0999 V2000
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9875

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C26H31N7O2S

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E3 Ligase

>  <Form> (193)
Free base

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2136270-56-7

>  <URL> (193)
https://www.selleckchem.com/products/spop-i-6lc.html

$$$$
N-[2-Chloro-5-[(dimethylamino)sulfonyl]phenyl]-2-propenamide
csChFnd80/03272410542D

 18 18  0  0  0  0  0  0  0  0999 V2000
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9894

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C11H13ClN2O3S

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288.75052

>  <Cat> (194)
E1575

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EN450

>  <Target> (194)
NF-¦ÊB

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Free base

>  <CAS> (194)
793719-01-4

>  <URL> (194)
https://www.selleckchem.com/products/en450.html

$$$$
7,9-Dihydro-2-[2-(1-methylethyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)-1...
csChFnd80/03272410542D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    1.3337    7.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4907    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5194    3.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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9914

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C26H23F3N6O

>  <MolWeight> (195)
492.4956296

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E1479

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I-138

>  <Target> (195)
DUB

>  <Form> (195)
Free base

>  <CAS> (195)
2098211-50-6

>  <URL> (195)
https://www.selleckchem.com/products/i-138.html

$$$$
[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-3-oxo-1H-isoindol-5-yl]methyl N-[2-f...
csChFnd80/03272410542D

 35 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (196)
9926

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C22H17F4N3O6

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495.3804928

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E1427

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>  <Target> (196)
E3 Ligase

>  <Form> (196)
free base

>  <CAS> (196)
2803881-11-8

>  <URL> (196)
https://www.selleckchem.com/products/mrt-2359.html

$$$$
3-[[4-[1-[[(3S)-1-[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoin...
csChFnd80/03272410542D

 53 60  0  0  1  0  0  0  0  0999 V2000
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   -9.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  9  1  0  0  0  0
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M  END
>  <Mol_ID> (200)
9968

>  <Formula> (200)
C25H21N3O5

>  <MolWeight> (200)
443.45134

>  <Cat> (200)
E1412

>  <Name> (200)
DEG-35

>  <Target> (200)
Casein Kinase

>  <Form> (200)
Free base

>  <URL> (200)
https://www.selleckchem.com/products/deg-35.html

$$$$
