Bosutinib (SKI-606).cdx
csChFnd80/10232010312D

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>  <Mol_ID> (1)
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Bosutinib (SKI-606)

>  <Synonyms> (1)
N/A 

>  <Target> (1)
Src

>  <Form> (1)
Free Base

>  <CAS> (1)
380843-75-4

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

$$$$
untitled.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (2)
13

>  <Formula> (2)
C53H84NO14P

>  <MolWeight> (2)
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S1022

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Deforolimus (MK-8669) 

>  <Synonyms> (2)
AP23573, MK-8669

>  <Target> (2)
mTOR

>  <Form> (2)
Free Base

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

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

$$$$
1.cdx
csChFnd80/10232010312D

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>  <Target> (3)
DNA-PK, PI3K, mTOR

>  <Form> (3)
Free Base

>  <CAS> (3)
371935-74-9

>  <URL> (3)
http://www.selleckchem.com/products/PI-103.html

$$$$
RAPAMYCIN.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (4)
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>  <Formula> (4)
C51H79NO13

>  <MolWeight> (4)
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>  <Cat> (4)
S1039

>  <Name> (4)
Rapamycin (Sirolimus)

>  <Synonyms> (4)
N/A 

>  <Target> (4)
mTOR 

>  <Form> (4)
Free Base

>  <CAS> (4)
53123-88-9

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

$$$$
untitled.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (5)
41

>  <Formula> (5)
C23H27N7O3S2

>  <MolWeight> (5)
513.63558

>  <Cat> (5)
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>  <Name> (5)
Pictilisib (GDC-0941)

>  <Synonyms> (5)
RG7321

>  <Target> (5)
PI3K 

>  <Form> (5)
Free Base

>  <CAS> (5)
957054-30-7

>  <URL> (5)
http://www.selleckchem.com/products/GDC-0941.html

$$$$
1.cdx
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>  <Mol_ID> (6)
44

>  <Formula> (6)
C19H21F2N7O2

>  <MolWeight> (6)
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>  <Cat> (6)
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>  <Synonyms> (6)
N/A

>  <Target> (6)
PI3K 

>  <Form> (6)
Free Base

>  <CAS> (6)
475110-96-4

>  <URL> (6)
http://www.selleckchem.com/products/ZSTK474.html

$$$$
1.cdx
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280744-09-4

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p38 MAPK 

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Free Base

>  <CAS> (8)
152121-47-6

>  <URL> (8)
http://www.selleckchem.com/products/SB-203580.html

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>  <Mol_ID> (9)
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>  <Name> (9)
MK-2206 dihydrochloride

>  <Synonyms> (9)
N/A

>  <Target> (9)
Akt

>  <Form> (9)
Dihydrochloride

>  <CAS> (9)
1032350-13-2

>  <URL> (9)
http://www.selleckchem.com/products/MK-2206.html

$$$$
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>  <Mol_ID> (10)
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C21H17NO3S2

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KU-55933 (ATM Kinase Inhibitor)

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N/A

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ATM 

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Free Base

>  <CAS> (10)
587871-26-9

>  <URL> (10)
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M  END
>  <Mol_ID> (14)
74

>  <Formula> (14)
C53H83NO14

>  <MolWeight> (14)
958.22442

>  <Cat> (14)
S1120

>  <Name> (14)
Everolimus (RAD001)

>  <Synonyms> (14)
Certican, Zortress, Afinitor

>  <Target> (14)
mTOR

>  <Form> (14)
Free Base

>  <CAS> (14)
159351-69-6

>  <URL> (14)
http://www.selleckchem.com/products/Everolimus(RAD001).html

$$$$
TGX-221.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (15)
99

>  <Formula> (15)
C21H24N4O2

>  <MolWeight> (15)
364.44086

>  <Cat> (15)
S1169

>  <Name> (15)
TGX-221

>  <Synonyms> (15)
N/A

>  <Target> (15)
PI3K

>  <Form> (15)
Free Base

>  <CAS> (15)
663619-89-4

>  <URL> (15)
http://www.selleckchem.com/products/TGX-221.html

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (16)
126

>  <Formula> (16)
C27H30ClNO11

>  <MolWeight> (16)
579.9802

>  <Cat> (16)
S1208

>  <Name> (16)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (16)
N/A 

>  <Target> (16)
Topoisomerase

>  <Form> (16)
Hydrochloride

>  <CAS> (16)
25316-40-9

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

$$$$
KU-0063794.cdx
csChFnd80/10232010312D

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235

>  <Formula> (21)
C22H19Cl3N8

>  <MolWeight> (21)
501.79886

>  <Cat> (21)
S2924

>  <Name> (21)
CHIR-99021 (CT99021) HCl

>  <Synonyms> (21)
N/A

>  <Target> (21)
PI3K/Akt/mTOR

>  <Form> (21)
Hydrochloride

>  <CAS> (21)
252917-06-9 (free base)

>  <URL> (21)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$

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307

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C14H16ClN3O4S2

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389.87754

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S1489

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PIK-93

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N/A

>  <Target> (22)
PI3K, VEGFR

>  <Form> (22)
Free Base

>  <CAS> (22)
593960-11-3

>  <URL> (22)
http://www.selleckchem.com/products/PIK-93.html

$$$$
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csChFnd80/10232010312D

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317

>  <Formula> (23)
C24H22O6

>  <MolWeight> (23)
406.42788

>  <Cat> (23)
S2238

>  <Name> (23)
Palomid 529

>  <Synonyms> (23)
P529

>  <Target> (23)
mTOR

>  <Form> (23)
Free Base

>  <CAS> (23)
914913-88-5

>  <URL> (23)
http://www.selleckchem.com/products/Palomid-529-P529.html

$$$$
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318

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XL765

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>  <Target> (24)
PI3K, mTOR

>  <Form> (24)
Free Base

>  <CAS> (24)
1349796-36-6

>  <URL> (24)
http://www.selleckchem.com/products/XL765(SAR245409).html#

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844442-38-2

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mTOR

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Free Base

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1009298-09-2

>  <URL> (26)
http://www.selleckchem.com/products/AZD8055.html

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>  <Form> (27)
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1191951-57-1

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http://www.selleckchem.com/products/PHT-427.html

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857531-00-1

>  <URL> (28)
http://www.selleckchem.com/products/AT7867.html

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  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  2  0  0  0  0
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  8 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  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 15  1  0  0  0  0
 17 21  2  0  0  0  0
  2 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  2  0  0  0  0
 19 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
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 25 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 25  1  0  0  0  0
 36 38  1  1  0  0  0
 34 39  1  1  0  0  0
M  END
>  <Mol_ID> (29)
350

>  <Formula> (29)
C30H33N3O5S

>  <MolWeight> (29)
547.66512

>  <Cat> (29)
S1570

>  <Name> (29)
KU-60019

>  <Synonyms> (29)
N/A

>  <Target> (29)
ATM 

>  <Form> (29)
Free Base

>  <CAS> (29)
925701-49-1

>  <URL> (29)
http://www.selleckchem.com/products/KU-60019.html

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/10232010312D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2040    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4693    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7693    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3999    4.1899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3368    5.7555    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.5167    6.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3852    5.9938    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  5 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  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 14  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (30)
377

>  <Formula> (30)
C12H9N3O5S

>  <MolWeight> (30)
307.28196

>  <Cat> (30)
S1627

>  <Name> (30)
Nitazoxanide (Alinia, Annita)

>  <Synonyms> (30)
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza

>  <Target> (30)
Others

>  <Form> (30)
Free Base

>  <CAS> (30)
55981-09-4

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

$$$$
Artemisinin.cdx
csChFnd80/10232010312D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.3912    4.5588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0912    3.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756    3.1377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5019    4.0900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    5.4860    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2405    6.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9027    5.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7632    3.4825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9200    4.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8153    5.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540    6.2747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    6.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4497    7.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    1.7728    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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
  5 12  1  6  0  0  0
 11 13  1  6  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16  8  1  0  0  0  0
  8 17  1  6  0  0  0
 16 18  1  1  0  0  0
 15 19  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  6  0  0  0
 21 22  1  0  0  0  0
  4 22  1  6  0  0  0
  3 23  1  1  0  0  0
M  END
>  <Mol_ID> (31)
390

>  <Formula> (31)
C15H22O5

>  <MolWeight> (31)
282.33218

>  <Cat> (31)
S1282

>  <Name> (31)
Artemisinin

>  <Synonyms> (31)
Qinghaosu

>  <Target> (31)
Antifection

>  <Form> (31)
Free Base

>  <CAS> (31)
63968-64-9

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

$$$$
clemastine fumarate.cdx
csChFnd80/10232010312D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.2569    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    6.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8900    6.4325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8404    4.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  1  0  0  0  0
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 10 11  1  0  0  0  0
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 16 12  1  0  0  0  0
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 17 19  2  0  0  0  0
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 23 17  1  0  0  0  0
 13 24  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  2  0  0  0  0
 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (32)
479

>  <Formula> (32)
C25H30ClNO5

>  <MolWeight> (32)
459.9624

>  <Cat> (32)
S1847

>  <Name> (32)
Clemastine Fumarate

>  <Synonyms> (32)
Tavist, Agasten 

>  <Target> (32)
Histamine Receptor

>  <Form> (32)
Fumarate

>  <CAS> (32)
14976-57-9

>  <URL> (32)
http://www.selleckchem.com/products/Clemastine-Fumarate.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/10232010312D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (33)
486

>  <Formula> (33)
C4H12ClN5

>  <MolWeight> (33)
165.62458

>  <Cat> (33)
S1950

>  <Name> (33)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (33)
Glucophage, Riomet, Diabex

>  <Target> (33)
Others

>  <Form> (33)
Hydrochloride

>  <CAS> (33)
1115-70-4

>  <URL> (33)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Indirubin.cdx
csChFnd80/10232010312D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
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  8 10  2  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
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M  END
>  <Mol_ID> (34)
527

>  <Formula> (34)
C16H10N2O2

>  <MolWeight> (34)
262.2628

>  <Cat> (34)
S2386

>  <Name> (34)
Indirubin

>  <Synonyms> (34)
N/A

>  <Target> (34)
GSK-3

>  <Form> (34)
Free Base

>  <CAS> (34)
479-41-4 

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

$$$$
CHIR-98014.cdx
csChFnd80/10232010312D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (35)
550

>  <Formula> (35)
C20H17Cl2N9O2

>  <MolWeight> (35)
486.31408

>  <Cat> (35)
S2745

>  <Name> (35)
CHIR-98014

>  <Synonyms> (35)
N/A

>  <Target> (35)
GSK-3

>  <Form> (35)
Free Base

>  <CAS> (35)
252935-94-7

>  <URL> (35)
http://www.selleckchem.com/products/chir-98014.html

$$$$
NVP-BGT226.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (36)
555

>  <Formula> (36)
C32H29F3N6O6

>  <MolWeight> (36)
650.6044696

>  <Cat> (36)
S2749

>  <Name> (36)
NVP-BGT226

>  <Synonyms> (36)
N/A 

>  <Target> (36)
PI3K, mTOR

>  <Form> (36)
Maleate

>  <CAS> (36)
1245537-68-1

>  <URL> (36)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/10232010312D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (37)
557

>  <Formula> (37)
C25H21N7O3

>  <MolWeight> (37)
467.47934

>  <Cat> (37)
S1219

>  <Name> (37)
YM201636

>  <Synonyms> (37)
N/A

>  <Target> (37)
PI3K 

>  <Form> (37)
Free Base

>  <CAS> (37)
371942-69-7

>  <URL> (37)
http://www.selleckchem.com/products/ym201636.html

$$$$
3-Methyladenine.cdx
csChFnd80/10232010312D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (38)
562

>  <Formula> (38)
C6H7N5

>  <MolWeight> (38)
149.15328

>  <Cat> (38)
S2767

>  <Name> (38)
3-Methyladenine (3-MA)

>  <Synonyms> (38)
3-MA

>  <Target> (38)
PI3K

>  <Form> (38)
Free Base

>  <CAS> (38)
5142-23-4

>  <URL> (38)
http://www.selleckchem.com/products/3-methyladenine.html

$$$$
BX-795.cdx
csChFnd80/10232010312D

 34 37  0  0  0  0  0  0  0  0999 V2000
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Free Base

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702675-74-9

>  <URL> (39)
http://www.selleckchem.com/products/bx-795.html

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BX-912.cdx
csChFnd80/10232010312D

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N/A

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PDK-1 

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Free Base

>  <CAS> (40)
702674-56-4

>  <URL> (40)
http://www.selleckchem.com/products/bx-912.html

$$$$
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csChFnd80/10232010312D

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573

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>  <Synonyms> (41)
N/A

>  <Target> (41)
HDAC, PI3K

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1339928-25-4

>  <URL> (41)
http://www.selleckchem.com/products/cudc-907.html

$$$$
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1009298-59-2

>  <URL> (42)
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Akt 

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Free Base

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1001264-89-6

>  <URL> (43)
http://www.selleckchem.com/products/gdc-0068.html

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csChFnd80/10232010312D

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617

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C24H15F3N4O

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Torin 2

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N/A 

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mTOR

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Free Base

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1223001-51-1

>  <URL> (44)
http://www.selleckchem.com/products/torin-2.html

$$$$
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csChFnd80/10232010312D

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618

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Alpelisib (BYL719)

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N/A 

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PI3K

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Free Base

>  <CAS> (45)
1217486-61-7

>  <URL> (45)
http://www.selleckchem.com/products/byl719.html

$$$$
Quercetin.cdx
csChFnd80/10232010312D

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625

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Quercetin (Sophoretin)

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PI3K, PKC, Src, Sirtuin

>  <Form> (46)
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>  <CAS> (46)
117-39-5

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

$$$$
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629

>  <Formula> (47)
C14H20O7

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Salidroside (Rhodioloside)

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Rhodioloside

>  <Target> (47)
Others

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Free Base

>  <CAS> (47)
10338-51-9

>  <URL> (47)
http://www.selleckchem.com/products/Salidroside-Rhodioloside.html

$$$$
PIK 293.cdx
csChFnd80/10232010312D

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681

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C22H19N7O

>  <MolWeight> (48)
397.43256

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PIK-293

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N/A

>  <Target> (48)
PI3K

>  <Form> (48)
Free Base

>  <CAS> (48)
900185-01-5 

>  <URL> (48)
http://www.selleckchem.com/products/PIK-293.html

$$$$
PP442.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (49)
687

>  <Formula> (49)
C16H16N6O

>  <MolWeight> (49)
308.33784

>  <Cat> (49)
S2218

>  <Name> (49)
Torkinib (PP242)

>  <Synonyms> (49)
TORKinib 

>  <Target> (49)
mTOR

>  <Form> (49)
Free Base

>  <CAS> (49)
1092351-67-1

>  <URL> (49)
http://www.selleckchem.com/products/PP242.html

$$$$
(+)-Usniacin.cdx
csChFnd80/10232010312D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (50)
691

>  <Formula> (50)
C18H16O7

>  <MolWeight> (50)
344.31544

>  <Cat> (50)
S2252

>  <Name> (50)
(+)-Usniacin (D-Usnic acid)

>  <Synonyms> (50)
D-Usnic acid

>  <Target> (50)
Others

>  <Form> (50)
Free Base

>  <CAS> (50)
7562-61-0

>  <URL> (50)
http://www.selleckchem.com/products/(+)-Usniacin(D-Usnic-acid).html

$$$$
Apigenin.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (51)
697

>  <Formula> (51)
C15H10O5

>  <MolWeight> (51)
270.2369

>  <Cat> (51)
S2262

>  <Name> (51)
Apigenin

>  <Synonyms> (51)
N/A

>  <Target> (51)
P450

>  <Form> (51)
Free Base

>  <CAS> (51)
520-36-5

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

$$$$
Honokiol.cdx
csChFnd80/10232010312D

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    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
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6289    0.0000 O   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
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (52)
733

>  <Formula> (52)
C18H18O2

>  <MolWeight> (52)
266.33432

>  <Cat> (52)
S2310

>  <Name> (52)
Honokiol

>  <Synonyms> (52)
N/A

>  <Target> (52)
Akt, MEK

>  <Form> (52)
Free Base

>  <CAS> (52)
35354-74-6

>  <URL> (52)
http://www.selleckchem.com/products/Honokiol.html

$$$$
Myricetin.cdx
csChFnd80/10232010312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    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
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 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
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (53)
745

>  <Formula> (53)
C15H10O8

>  <MolWeight> (53)
318.2351

>  <Cat> (53)
S2326

>  <Name> (53)
Myricetin (Cannabiscetin)

>  <Synonyms> (53)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (53)
NULL

>  <Form> (53)
Free Base

>  <CAS> (53)
529-44-2

>  <URL> (53)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

$$$$
Oridonin.cdx
csChFnd80/10232010312D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.5553    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5553    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7677    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5097    5.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1465    5.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    6.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    6.8823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9105    8.4019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4641    6.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1677    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1062    7.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    3.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5654    1.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3429    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1884    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778    4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8719    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624    7.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980    9.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  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
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15  9  1  0  0  0  0
  9  7  1  1  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  2  0  0  0  0
 10 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  6  0  0  0
  1 21  1  6  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  5 24  1  1  0  0  0
  6 25  1  1  0  0  0
 25 26  1  0  0  0  0
  7 26  1  1  0  0  0
 12 27  1  6  0  0  0
 13 28  1  6  0  0  0
M  END
>  <Mol_ID> (54)
752

>  <Formula> (54)
C20H28O6

>  <MolWeight> (54)
364.43272

>  <Cat> (54)
S2335

>  <Name> (54)
Oridonin (Isodonol)

>  <Synonyms> (54)
Isodonol

>  <Target> (54)
Others

>  <Form> (54)
Free Base

>  <CAS> (54)
28957-04-2

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/10232010312D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    3.8440    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
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 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
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (55)
762

>  <Formula> (55)
C15H14O9

>  <MolWeight> (55)
338.26626

>  <Cat> (55)
S2347

>  <Name> (55)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (55)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (55)
Others

>  <Form> (55)
Dihydrate

>  <CAS> (55)
6151-25-3

>  <URL> (55)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/10232010312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    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  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
  9 15  1  6  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
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (56)
767

>  <Formula> (56)
C15H12O8

>  <MolWeight> (56)
320.25098

>  <Cat> (56)
S2399

>  <Name> (56)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (56)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (56)
Others

>  <Form> (56)
Free Base

>  <CAS> (56)
27200-12-0

>  <URL> (56)
http://www.selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

$$$$
Sophocarpine.cdx
csChFnd80/10232010312D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (57)
770

>  <Formula> (57)
C15H22N2O

>  <MolWeight> (57)
246.34798

>  <Cat> (57)
S2405

>  <Name> (57)
Sophocarpine

>  <Synonyms> (57)
N/A

>  <Target> (57)
Others

>  <Form> (57)
Free Base

>  <CAS> (57)
6483-15-4

>  <URL> (57)
http://www.selleckchem.com/products/Sophocarpine.html

$$$$
Chrysophanic acid.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (58)
771

>  <Formula> (58)
C15H10O4

>  <MolWeight> (58)
254.2375

>  <Cat> (58)
S2406

>  <Name> (58)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (58)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (58)
EGFR, mTOR

>  <Form> (58)
Free Base

>  <CAS> (58)
481-74-3

>  <URL> (58)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
TAK-901.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (59)
796

>  <Formula> (59)
C28H32N4O3S

>  <MolWeight> (59)
504.64368

>  <Cat> (59)
S2718

>  <Name> (59)
TAK-901

>  <Synonyms> (59)
N/A

>  <Target> (59)
Aurora Kinase

>  <Form> (59)
Free Base

>  <CAS> (59)
934541-31-8

>  <URL> (59)
http://www.selleckchem.com/products/tak-901.html

$$$$
GSK2126458.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (60)
812

>  <Formula> (60)
C25H17F2N5O3S

>  <MolWeight> (60)
505.4959864

>  <Cat> (60)
S2658

>  <Name> (60)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (60)
N/A 

>  <Target> (60)
PI3K, mTOR

>  <Form> (60)
Free Base

>  <CAS> (60)
1086062-66-9 

>  <URL> (60)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
CAL-1011.cdx
csChFnd80/10232010312D

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870281-82-6

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PI3K 

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Free Base

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900185-02-6

>  <URL> (62)
http://www.selleckchem.com/products/PIK-294.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/10232010312D

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AMPK

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834-28-6

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

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mTOR

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Free Base

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936890-98-1

>  <URL> (64)
http://www.selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
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DNA-PK, mTOR, PDGF

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Free Base

>  <CAS> (65)
1092788-83-4

>  <URL> (65)
http://www.selleckchem.com/products/PP121.html

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1166227-08-2 

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601514-19-6

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61281-37-6

>  <URL> (88)
http://www.selleckchem.com/products/schisandrin-b.html

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S6 Kinase

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Free Base

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501437-28-1

>  <URL> (89)
http://www.selleckchem.com/products/bi-d1870.html

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GSK-3

>  <Form> (90)
Free Base

>  <CAS> (90)
327036-89-5 

>  <URL> (90)
http://www.selleckchem.com/products/tdzd-8.html

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>  <Mol_ID> (91)
1172

>  <Formula> (91)
C20H22BrCl2N3O2S

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S1582

>  <Name> (91)
H 89 2HCl

>  <Synonyms> (91)
N/A

>  <Target> (91)
S6 Kinase

>  <Form> (91)
Dihydrochloride

>  <CAS> (91)
130964-39-5

>  <URL> (91)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

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C9H14N4O5

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AMPK

>  <Form> (92)
Free Base

>  <CAS> (92)
2627-69-2

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

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1260

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C19H21F3N6

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PF-4708671

>  <Synonyms> (93)
PF-04708671

>  <Target> (93)
S6 Kinase

>  <Form> (93)
Free Base

>  <CAS> (93)
1255517-76-0

>  <URL> (93)
http://www.selleckchem.com/products/pf-4708671.html

$$$$
untitled.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (94)
1463

>  <Formula> (94)
C13H16N6O4

>  <MolWeight> (94)
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>  <Cat> (94)
S1117

>  <Name> (94)
Triciribine

>  <Synonyms> (94)
N/A

>  <Target> (94)
Akt

>  <Form> (94)
Free Base

>  <CAS> (94)
35943-35-2

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

$$$$
Flufenamic acid.cdx
csChFnd80/10232010312D

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1489

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C14H10F3NO2

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281.2299096

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S4268

>  <Name> (95)
Flufenamic acid

>  <Synonyms> (95)
N/A

>  <Target> (95)
COX

>  <Form> (95)
Free Base

>  <CAS> (95)
530-78-9

>  <URL> (95)
http://www.selleckchem.com/products/flufenamic-acid.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/10232010312D

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>  <Mol_ID> (96)
1534

>  <Formula> (96)
C44H69NO12

>  <MolWeight> (96)
804.01816

>  <Cat> (96)
S5003

>  <Name> (96)
Tacrolimus (FK506)

>  <Synonyms> (96)
FR900506

>  <Target> (96)
mTOR

>  <Form> (96)
Free Base

>  <CAS> (96)
104987-11-3

>  <URL> (96)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/10232010312D

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>  <Formula> (97)
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Temsirolimus (CCI-779, NSC 683864)

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N/A

>  <Target> (97)
mTOR

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Free Base

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162635-04-3

>  <URL> (97)
http://www.selleckchem.com/products/Temsirolimus.html

$$$$
S1263.cdx
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>  <Mol_ID> (98)
1561

>  <Formula> (98)
C22H18Cl2N8

>  <MolWeight> (98)
465.33792

>  <Cat> (98)
S1263

>  <Name> (98)
CHIR-99021 (CT99021)

>  <Synonyms> (98)
N/A

>  <Target> (98)
GSK-3

>  <Form> (98)
Free Base

>  <CAS> (98)
252917-06-9

>  <URL> (98)
http://www.selleckchem.com/products/CHIR-99021.html

$$$$
Danthron.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (99)
1594

>  <Formula> (99)
C14H8O4

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

>  <Synonyms> (99)
chrysazin, Antrapurol

>  <Target> (99)
Others

>  <Form> (99)
Free Base

>  <CAS> (99)
117-10-2

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

$$$$
S4711 Esculetin.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (100)
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>  <Target> (100)
Others

>  <Form> (100)
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>  <CAS> (100)
305-01-1

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

$$$$
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csChFnd80/10232010312D

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    7.2652    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8403    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    2.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    2.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6368    0.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1149    7.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    8.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (101)
1878

>  <Formula> (101)
C16H16O4

>  <MolWeight> (101)
272.29584

>  <Cat> (101)
S3940

>  <Name> (101)
3'-Hydroxypterostilbene

>  <Synonyms> (101)
3'-HPT

>  <Target> (101)
Others

>  <Form> (101)
free base

>  <CAS> (101)
475231-21-1

>  <URL> (101)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/10232010312D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5458    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    2.1429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1209    2.8429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9085    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9749    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2155    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9804    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
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 10 11  2  0  0  0  0
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 10 13  1  0  0  0  0
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 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (102)
1883

>  <Formula> (102)
C18H22O4

>  <MolWeight> (102)
302.36488

>  <Cat> (102)
S3984

>  <Name> (102)
Nordihydroguaiaretic acid

>  <Synonyms> (102)
N/A

>  <Target> (102)
lipoxygenase

>  <Form> (102)
free base

>  <CAS> (102)
500-38-9

>  <URL> (102)
http://www.selleckchem.com/products/nordihydroguaiaretic-acid.html

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/10232010312D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1100    3.6488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5066    3.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3900    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
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  5 10  1  1  0  0  0
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  9 11  1  6  0  0  0
M  END
>  <Mol_ID> (103)
1888

>  <Formula> (103)
C6H13NO4

>  <MolWeight> (103)
163.17172

>  <Cat> (103)
S3839

>  <Name> (103)
1-Deoxynojirimycin

>  <Synonyms> (103)
duvoglustat, moranolin

>  <Target> (103)
¦Á-glucosidase

>  <Form> (103)
free base

>  <CAS> (103)
19130-96-2

>  <URL> (103)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3836 6-Gingerol.cdx
csChFnd80/10232010312D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.8540    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9162    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1287    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3411    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5535    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7660    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (104)
1905

>  <Formula> (104)
C17H26O4

>  <MolWeight> (104)
294.38594

>  <Cat> (104)
S3836

>  <Name> (104)
6-Gingerol

>  <Synonyms> (104)
CI-1011

>  <Target> (104)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (104)
free base

>  <CAS> (104)
23513-14-6

>  <URL> (104)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/10232010312D

 32 37  0  0  0  0  0  0  0  0999 V2000
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    3.6325    4.9289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6263    3.5288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8359    2.8234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0574    4.9185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2654    5.6136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4490    3.5006    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8595    3.4670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  8  1  1  0  0  0  0
 11  1  1  0  0  0  0
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  2 23  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4 20  1  1  0  0  0
  5  4  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  1  0  0  0
  5  6  1  0  0  0  0
  6 22  1  1  0  0  0
  6  7  1  0  0  0  0
  7 25  1  1  0  0  0
  8 18  1  1  0  0  0
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 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 14 10  1  0  0  0  0
 11 16  1  0  0  0  0
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 12 26  1  6  0  0  0
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 13 24  2  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  1  0  0  0
 16 17  1  0  0  0  0
 16 27  1  6  0  0  0
 17 29  1  6  0  0  0
 18 19  1  0  0  0  0
 18 28  2  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (105)
1982

>  <Formula> (105)
C20H24O11

>  <MolWeight> (105)
440.39796

>  <Cat> (105)
S3781

>  <Name> (105)
Ginkgolide C

>  <Synonyms> (105)
BN-52022

>  <Target> (105)
Others

>  <Form> (105)
free base

>  <CAS> (105)
15291-76-6

>  <URL> (105)
http://www.selleckchem.com/products/ginkgolide-c.html

$$$$
Torin 1.cdx
csChFnd80/10232010312D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (106)
2008

>  <Formula> (106)
C35H28F3N5O2

>  <MolWeight> (106)
607.6243296

>  <Cat> (106)
S2827

>  <Name> (106)
Torin 1

>  <Synonyms> (106)
N/A 

>  <Target> (106)
mTOR

>  <Form> (106)
Free Base

>  <CAS> (106)
1222998-36-8

>  <URL> (106)
http://www.selleckchem.com/products/torin-1.html

$$$$
TG 100713.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (107)
2013

>  <Formula> (107)
C12H10N6O

>  <MolWeight> (107)
254.2474

>  <Cat> (107)
S2870

>  <Name> (107)
TG 100713

>  <Synonyms> (107)
N/A

>  <Target> (107)
PI3K

>  <Form> (107)
Free Base

>  <CAS> (107)
925705-73-3

>  <URL> (107)
http://www.selleckchem.com/products/tg-100713.html

$$$$
CGK 733.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (108)
2030

>  <Formula> (108)
C23H18Cl3FN4O3S

>  <MolWeight> (108)
555.8364232

>  <Cat> (108)
S7136

>  <Name> (108)
CGK 733

>  <Synonyms> (108)
N/A

>  <Target> (108)
ATM/ATR

>  <Form> (108)
Free Base

>  <CAS> (108)
905973-89-9

>  <URL> (108)
http://www.selleckchem.com/products/cgk-733.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/10232010312D

 32 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (109)
2040

>  <Formula> (109)
C18H32ClN3O8P2

>  <MolWeight> (109)
515.862502

>  <Cat> (109)
S4157

>  <Name> (109)
Chloroquine Phosphate

>  <Synonyms> (109)
N/A

>  <Target> (109)
Others

>  <Form> (109)
Diphosphate

>  <CAS> (109)
50-63-5

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

$$$$
S4953 Usnic acid.cdx
csChFnd80/10232010312D

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   10.8681    2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6402    6.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 25  2  0  0  0  0
M  END
>  <Mol_ID> (110)
2213

>  <Formula> (110)
C18H16O7

>  <MolWeight> (110)
344.31544

>  <Cat> (110)
S4953

>  <Name> (110)
Usnic acid

>  <Synonyms> (110)
Usniacin

>  <Target> (110)
Others

>  <Form> (110)
free base

>  <CAS> (110)
125-46-2

>  <URL> (110)
http://selleckchem.com/products/usnic-acid.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/10232010312D

 43 47  0  0  0  0  0  0  0  0999 V2000
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 13  1  1  0  0  0  0
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 29  4  1  0  0  0  0
 30  4  1  0  0  0  0
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 20  5  1  0  0  0  0
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 14  6  1  0  0  0  0
 21  6  1  0  0  0  0
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 31 12  1  0  0  0  0
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 39 36  1  0  0  0  0
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 40 38  1  0  0  0  0
 40 39  2  0  0  0  0
M  END
>  <Mol_ID> (111)
2216

>  <Formula> (111)
C32H40O8

>  <MolWeight> (111)
552.6552

>  <Cat> (111)
S3832

>  <Name> (111)
Euphorbiasteroid

>  <Synonyms> (111)
Euphorbia factor L1

>  <Target> (111)
Others

>  <Form> (111)
free base

>  <CAS> (111)
28649-59-4

>  <URL> (111)
http://selleckchem.com/products/euphorbiasteroid.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/10232010312D

 68 74  0  0  0  0  0  0  0  0999 V2000
    6.9238    8.9622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0285    9.6191    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6762    9.6479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9525    7.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8666   10.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3238    9.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 67  1  6  0  0  0
 48 68  1  6  0  0  0
M  END
>  <Mol_ID> (112)
2271

>  <Formula> (112)
C47H80O18

>  <MolWeight> (112)
933.1273

>  <Cat> (112)
S3785

>  <Name> (112)
Notoginsenoside R1

>  <Synonyms> (112)
Sanchinoside R1

>  <Target> (112)
Others

>  <Form> (112)
free base

>  <CAS> (112)
80418-24-2

>  <URL> (112)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/10232010312D

 44 48  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (113)
2284

>  <Formula> (113)
C29H36O15

>  <MolWeight> (113)
624.58714

>  <Cat> (113)
S2323

>  <Name> (113)
Methyl-Hesperidin

>  <Form> (113)
free base

>  <CAS> (113)
 11013-97-1

$$$$
S3810 Scutellarin.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (114)
2289

>  <Formula> (114)
C21H18O12

>  <MolWeight> (114)
462.36042

>  <Cat> (114)
S3810

>  <Name> (114)
Scutellarin

>  <Synonyms> (114)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (114)
Others

>  <Form> (114)
free base

>  <CAS> (114)
27740-01-8

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

$$$$
untitled.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (115)
2297

>  <Formula> (115)
C21H46NO4P

>  <MolWeight> (115)
407.568001

>  <Cat> (115)
S3056

>  <Name> (115)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (115)
N/A

>  <Target> (115)
Akt

>  <Form> (115)
Free Base

>  <CAS> (115)
58066-85-6

>  <URL> (115)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
csChFnd80/10232010312D

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 14  7  1  0  0  0  0
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 20 16  2  0  0  0  0
 21 19  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (116)
2302

>  <Formula> (116)
C17H15NO3

>  <MolWeight> (116)
281.3059

>  <Cat> (116)
S2893

>  <Name> (116)
NU7026

>  <Synonyms> (116)
N/A

>  <Target> (116)
DNA-PK

>  <Form> (116)
Free Base

>  <CAS> (116)
154447-35-5

>  <URL> (116)
http://www.selleckchem.com/products/nu7026.html

$$$$
VE-821.cdx
csChFnd80/10232010312D

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2370

>  <Formula> (121)
C24H32N6O3

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452.54928

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S8040

>  <Name> (121)
GDC-0349

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RG7603

>  <Target> (121)
mTOR

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Free Base

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1207360-89-1

>  <URL> (121)
https://www.selleckchem.com/products/gdc-0349.html

$$$$
untitled.cdx
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>  <Mol_ID> (122)
2376

>  <Formula> (122)
C21H16N6O2S2

>  <MolWeight> (122)
448.52074

>  <Cat> (122)
S1118

>  <Name> (122)
XL147 analogue

>  <Synonyms> (122)
SAR245408

>  <Target> (122)
PI3K 

>  <Form> (122)
Free Base

>  <CAS> (122)
956958-53-5

>  <URL> (122)
http://www.selleckchem.com/products/XL147.html

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (123)
2380

>  <Formula> (123)
C16H15BrClN5O4S

>  <MolWeight> (123)
488.7434

>  <Cat> (123)
S1205

>  <Name> (123)
PIK-75 

>  <Synonyms> (123)
N/A

>  <Target> (123)
PI3K, DNA-PK

>  <Form> (123)
Hydrochloride

>  <CAS> (123)
372196-77-5

>  <URL> (123)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (124)
2385

>  <Formula> (124)
C25H52NO4P

>  <MolWeight> (124)
461.658441

>  <Cat> (124)
S1037

>  <Name> (124)
Perifosine (KRX-0401)

>  <Synonyms> (124)
NSC639966

>  <Target> (124)
Akt

>  <Form> (124)
Free Base

>  <CAS> (124)
157716-52-4

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

$$$$
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csChFnd80/10232010312D

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2397

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C18H11N3O2S

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GSK1059615

>  <Synonyms> (125)
N/A

>  <Target> (125)
PI3K, mTOR

>  <Form> (125)
Free Base

>  <CAS> (125)
958852-01-2

>  <URL> (125)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
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>  <Mol_ID> (126)
2451

>  <Formula> (126)
C32H41N9O4

>  <MolWeight> (126)
615.72584

>  <Cat> (126)
S2628

>  <Name> (126)
PF-05212384 (PKI-587)

>  <Synonyms> (126)
N/A 

>  <Target> (126)
mTOR, PI3K

>  <Form> (126)
Free Base

>  <CAS> (126)
1197160-78-3

>  <URL> (126)
http://www.selleckchem.com/products/pki587.html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/10232010312D

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>  <Mol_ID> (127)
2455

>  <Formula> (127)
C25H19NO3S

>  <MolWeight> (127)
413.48826

>  <Cat> (127)
S2638

>  <Name> (127)
NU7441(KU-57788)

>  <Synonyms> (127)
N/A 

>  <Target> (127)
DNA-PK, PI3K

>  <Form> (127)
Free Base

>  <CAS> (127)
503468-95-9 

>  <URL> (127)
http://www.selleckchem.com/products/nu7441.html

$$$$
ATP disodium salt.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (128)
2458

>  <Formula> (128)
C10H14N5Na2O13P3

>  <MolWeight> (128)
551.144683

>  <Cat> (128)
S1985

>  <Name> (128)
ATP (Adenosine-Triphosphate)

>  <Synonyms> (128)
N/A 

>  <Target> (128)
Others

>  <Form> (128)
Disodium Salt

>  <CAS> (128)
987-65-5

>  <URL> (128)
http://www.selleckchem.com/products/atp-Adenosine-Triphosphate.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (129)
2463

>  <Formula> (129)
C23H14Na2O11

>  <MolWeight> (129)
512.3302

>  <Cat> (129)
S1911

>  <Name> (129)
Disodium Cromoglycate

>  <Synonyms> (129)
Gynazole

>  <Target> (129)
Calcium Channel

>  <Form> (129)
Disodium Salt

>  <CAS> (129)
15826-37-6

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

$$$$
SC79.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (130)
2492

>  <Formula> (130)
C17H17ClN2O5

>  <MolWeight> (130)
364.78028

>  <Cat> (130)
S7863

>  <Name> (130)
SC79

>  <Synonyms> (130)
N/A

>  <Target> (130)
Akt

>  <Form> (130)
Free Base

>  <CAS> (130)
305834-79-1

>  <URL> (130)
http://www.selleckchem.com/products/sc79.html

$$$$
PF-4989216.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (131)
2509

>  <Formula> (131)
C18H13FN6OS

>  <MolWeight> (131)
380.3988232

>  <Cat> (131)
S7675

>  <Name> (131)
PF-4989216

>  <Synonyms> (131)
N/A

>  <Target> (131)
PI3K

>  <Form> (131)
Free Base

>  <CAS> (131)
1276553-09-3

>  <URL> (131)
http://www.selleckchem.com/products/pf-4989216.html

$$$$
AZD8186.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (132)
2510

>  <Formula> (132)
C24H25F2N3O4

>  <MolWeight> (132)
457.4698064

>  <Cat> (132)
S7694

>  <Name> (132)
AZD8186

>  <Synonyms> (132)
N/A

>  <Target> (132)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (132)
Free Base

>  <CAS> (132)
1627494-13-6

>  <URL> (132)
http://www.selleckchem.com/products/azd8186.html

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/10232010312D

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>  <Mol_ID> (133)
2526

>  <Formula> (133)
C5H6Na2O5

>  <MolWeight> (133)
192.07768

>  <Cat> (133)
S7873

>  <Name> (133)
Disodium (R)-2-Hydroxyglutarate

>  <Synonyms> (133)
N/A

>  <Target> (133)
Others

>  <Form> (133)
disodium salt

>  <CAS> (133)
103404-90-6

>  <URL> (133)
http://www.selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/10232010312D

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Akt

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GSK-3

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Free Base

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667463-85-6

>  <URL> (138)
http://www.selleck.cn/products/bio-acetoxime.html

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N/A

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PI3K

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Free Base

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1608125-21-8

>  <URL> (139)
http://www.selleckchem.com/products/amg319.html

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ATR

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hydrochloride

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1876467-74-1(free base)

>  <URL> (140)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
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csChFnd80/10232010312D

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61-90-5

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612487-72-6

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http://www.selleckchem.com/products/azd1080.html

$$$$
GSK2334470.cdx
csChFnd80/10232010312D

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PDK-1

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Free Base

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1227911-45-6

>  <URL> (143)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/10232010312D

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TIC10 analogue

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TRAIL-inducing Compound 10

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Akt

>  <Form> (144)
Free Base

>  <CAS> (144)
41276-02-2

>  <URL> (144)
http://www.selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/10232010312D

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2625

>  <Formula> (145)
C16H10BrN3O2

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BIO

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GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (145)
GSK-3

>  <Form> (145)
Free Base

>  <CAS> (145)
667463-62-9

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

$$$$
AZD2858.cdx
csChFnd80/10232010312D

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C21H23N7O3S

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AZD2858

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>  <Target> (146)
GSK-3

>  <Form> (146)
Free Base

>  <CAS> (146)
486424-20-8

>  <URL> (146)
http://www.selleckchem.com/products/azd2858.html

$$$$
CZC24832.cdx
csChFnd80/10232010312D

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PI3K

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1159824-67-5

>  <URL> (147)
http://www.selleckchem.com/products/czc24832.html

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ETP-46464

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N/A

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mTOR

>  <Form> (148)
Free Base

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1345675-02-6

>  <URL> (148)
http://www.selleckchem.com/products/etp-46464.html

$$$$
XL388.cdx
csChFnd80/10232010312D

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C23H22FN3O4S

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XL388

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N/A

>  <Target> (149)
mTOR

>  <Form> (149)
Free Base

>  <CAS> (149)
1251156-08-7

>  <URL> (149)
http://www.selleckchem.com/products/xl388.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/10232010312D

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C24H27Cl2N5O

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>  <Name> (150)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (150)
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>  <Target> (150)
AMPK

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Dihydrochloride

>  <CAS> (150)
1219168-18-9

>  <URL> (150)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

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1232416-25-9

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M  END
>  <Mol_ID> (158)
2866

>  <Formula> (158)
C52H79N5O12

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>  <Name> (158)
Zotarolimus (ABT-578)

>  <Synonyms> (158)
N/A

>  <Target> (158)
mTOR

>  <Form> (158)
Free Base

>  <CAS> (158)
221877-54-9

>  <URL> (158)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/10232010312D

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>  <Mol_ID> (159)
2872

>  <Formula> (159)
C19H17NO3

>  <MolWeight> (159)
307.34318

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S7310

>  <Name> (159)
SF1670 (PTEN inhibitor)

>  <Synonyms> (159)
N/A

>  <Target> (159)
PTEN

>  <Form> (159)
Free Base

>  <CAS> (159)
345630-40-2

>  <URL> (159)
http://www.selleckchem.com/products/sf1670.html

$$$$
IM-12.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (160)
2873

>  <Formula> (160)
C22H20FN3O2

>  <MolWeight> (160)
377.4115032

>  <Cat> (160)
S7566

>  <Name> (160)
IM-12

>  <Synonyms> (160)
N/A

>  <Target> (160)
GSK-3

>  <Form> (160)
Free Base

>  <CAS> (160)
1129669-05-1

>  <URL> (160)
http://www.selleckchem.com/products/im-12.html

$$$$
VS-5584 (SB2343).cdx
csChFnd80/10232010312D

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>  <Mol_ID> (161)
2920

>  <Formula> (161)
C17H22N8O

>  <MolWeight> (161)
354.40958

>  <Cat> (161)
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>  <Name> (161)
VS-5584 (SB2343)

>  <Synonyms> (161)
N/A

>  <Target> (161)
PI3K

>  <Form> (161)
Free Base

>  <CAS> (161)
1246560-33-7

>  <URL> (161)
http://www.selleckchem.com/products/vs-5584-sb2343.html

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/10232010312D

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>  <Mol_ID> (162)
2929

>  <Formula> (162)
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>  <Name> (162)
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>  <Synonyms> (162)
N/A

>  <Target> (162)
JAK

>  <Form> (162)
Hydrochloride

>  <CAS> (162)
1369761-01-2

>  <URL> (162)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
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csChFnd80/10232010312D

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3053

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HTH-01-015

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N/A

>  <Target> (175)
AMPK

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Free Base

>  <CAS> (175)
1613724-42-7

>  <URL> (175)
http://www.selleckchem.com/products/hth-01-015.html

$$$$
Dorsomorphin.cdx
csChFnd80/10232010312D

 30 34  0  0  0  0  0  0  0  0999 V2000
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3059

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C24H25N5O

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S7840

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Dorsomorphin (Compound C)

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Compound C, BML-275

>  <Target> (176)
AMPK

>  <Form> (176)
Free Base

>  <CAS> (176)
866405-64-3

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

$$$$
GSK621.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (177)
3078

>  <Formula> (177)
C26H20ClN3O5

>  <MolWeight> (177)
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S7898

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GSK621

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N/A

>  <Target> (177)
AMPK

>  <Form> (177)
Free Base

>  <CAS> (177)
1346607-05-3

>  <URL> (177)
http://www.selleckchem.com/products/gsk621.html

$$$$
Voxtalisib (XL765, SAR245409).cdx
csChFnd80/10232010312D

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3102

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C13H14N6O

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Voxtalisib (XL765, SAR245409)

>  <Synonyms> (178)
N/A

>  <Target> (178)
PI3K

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Free Base

>  <CAS> (178)
934493-76-2

>  <URL> (178)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

$$$$
LJI308.cdx
csChFnd80/10232010312D

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>  <CAS> (179)
1627709-94-7

>  <URL> (179)
http://www.selleckchem.com/products/lji308.html

$$$$
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3263

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C12H15N2O11V

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VO-Ohpic trihydrate

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N/A

>  <Target> (193)
Others

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trihydrate

>  <CAS> (193)
476310-60-8

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

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csChFnd80/10232010312D

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3273

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C22H31N9O3

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AZD8835

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>  <Target> (194)
PI3K

>  <Form> (194)
Free Base

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1620576-64-8

>  <URL> (194)
http://www.selleckchem.com/products/azd8835.html

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csChFnd80/10232010312D

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3287

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C23H22O6

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Deguelin

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(-)-Deguelin, (-)-cis-Deguelin

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Akt

>  <Form> (195)
Free Base

>  <CAS> (195)
522-17-8

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

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GDC-0084.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (196)
3324

>  <Formula> (196)
C18H22N8O2

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PI3K

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>  <CAS> (196)
1382979-44-3

>  <URL> (196)
http://www.selleckchem.com/products/gdc-0084.html

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468.9806

>  <Cat> (201)
S8339

>  <Name> (201)
Miransertib (ARQ 092)HCl

>  <Synonyms> (201)
Miransertib

>  <Target> (201)
Akt

>  <Form> (201)
hydrochloride

>  <CAS> (201)
1313883-00-9

>  <URL> (201)
http://www.selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (202)
3364

>  <Formula> (202)
C21H25N7O

>  <MolWeight> (202)
391.4695

>  <Cat> (202)
S8456

>  <Name> (202)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (202)
N/A

>  <Target> (202)
PI3K

>  <Form> (202)
Free Base

>  <CAS> (202)
1383716-46-8

>  <URL> (202)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (203)
3390

>  <Formula> (203)
C19H15N3O2

>  <MolWeight> (203)
317.3413

>  <Cat> (203)
S7954

>  <Name> (203)
CP21R7 (CP21)

>  <Synonyms> (203)
N/A

>  <Target> (203)
Wnt/beta-catenin

>  <Form> (203)
Free Base

>  <CAS> (203)
125314-13-8

>  <URL> (203)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
TGR-1202.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (204)
3400

>  <Formula> (204)
C31H24F3N5O3

>  <MolWeight> (204)
571.5491696

>  <Cat> (204)
S8194

>  <Name> (204)
TGR-1202

>  <Synonyms> (204)
Rp-5264

>  <Target> (204)
PI3K

>  <Form> (204)
Free Base

>  <CAS> (204)
1532533-67-7

>  <URL> (204)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
YU238259.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (205)
3422

>  <Formula> (205)
C22H22ClN3O4S

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1943733-16-1

>  <URL> (205)
http://www.selleckchem.com/products/yu238259.html

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LTURM34

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>  <Target> (206)
DNA-PK

>  <Form> (206)
free base

>  <CAS> (206)
1879887-96-3

>  <URL> (206)
http://www.selleckchem.com/products/lturm34.html

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3435

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C22H19F4N7O

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AD80

>  <Synonyms> (207)
N/A

>  <Target> (207)
Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

>  <Form> (207)
free base

>  <CAS> (207)
1384071-99-1

>  <URL> (207)
http://www.selleckchem.com/products/ad80.html

$$$$
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>  <Mol_ID> (208)
3439

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C19H22N6O3

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GDC-0326

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N/A

>  <Target> (208)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (208)
free base

>  <CAS> (208)
1282514-88-8

>  <URL> (208)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

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3BDO.cdx
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3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

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FKBP1A

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890405-51-3

>  <URL> (209)
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>  <Mol_ID> (210)
3452

>  <Formula> (210)
C19H17NO5S

>  <MolWeight> (210)
371.40698

>  <Cat> (210)
S8589

>  <Name> (210)
SF2523

>  <Synonyms> (210)
N/A

>  <Target> (210)
DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

>  <Form> (210)
free base

>  <CAS> (210)
1174428-47-7

>  <URL> (210)
http://www.selleckchem.com/products/sf2523.html

$$$$
IPI-549.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (211)
3453

>  <Formula> (211)
C30H24N8O2

>  <MolWeight> (211)
528.56396

>  <Cat> (211)
S8330

>  <Name> (211)
IPI-549

>  <Synonyms> (211)
N/A

>  <Target> (211)
PI3K¦Ã

>  <CAS> (211)
1693758-51-8

>  <URL> (211)
http://www.selleckchem.com/products/ipi-549.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/10232010312D

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>  <Mol_ID> (212)
3465

>  <Formula> (212)
C19H17N5O3

>  <MolWeight> (212)
363.36998

>  <Cat> (212)
S8581

>  <Name> (212)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Synonyms> (212)
N/A

>  <Target> (212)
PI3K¦Á 

>  <Form> (212)
Free base

>  <CAS> (212)
1268454-23-4

>  <URL> (212)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Autophinib.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (213)
3470

>  <Formula> (213)
C14H11ClN6O3

>  <MolWeight> (213)
346.72854

>  <Cat> (213)
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>  <Name> (213)
Autophinib

>  <Synonyms> (213)
N/A

>  <Target> (213)
autophagy

>  <Form> (213)
free base

>  <CAS> (213)
1644443-47-9

>  <URL> (213)
http://www.selleckchem.com/products/autophinib.html

$$$$
PF-06409577.cdx
csChFnd80/10232010312D

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3494

>  <Formula> (214)
C19H16ClNO3

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PF-06409577

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N/A

>  <Target> (214)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (214)
free base

>  <CAS> (214)
1467057-23-3

>  <URL> (214)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
S3614 Lupeol.cdx
csChFnd80/10232010312D

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3523

>  <Formula> (215)
C30H50O

>  <MolWeight> (215)
426.7174

>  <Cat> (215)
S3614

>  <Name> (215)
Lupeol

>  <Synonyms> (215)
(3¦Â,13¦Î)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol

>  <Target> (215)
Others

>  <Form> (215)
free base

>  <CAS> (215)
545-47-1

>  <URL> (215)
http://www.selleckchem.com/products/lupeol.html

$$$$
IPI-3063.cdx
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>  <Mol_ID> (216)
3567

>  <Formula> (216)
C25H25N7O2

>  <MolWeight> (216)
455.5117

>  <Cat> (216)
S7335

>  <Name> (216)
IPI-3063

>  <Synonyms> (216)
N/A

>  <Target> (216)
p110¦Ä

>  <Form> (216)
free base

>  <CAS> (216)
1425043-73-7

>  <URL> (216)
http://www.selleckchem.com/products/ipi-3063.html

$$$$
2-D08.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (217)
3608

>  <Formula> (217)
C15H10O5

>  <MolWeight> (217)
270.2369

>  <Cat> (217)
S8696

>  <Name> (217)
2-D08
2-D08

>  <Synonyms> (217)
2',3',4'-trihydroxy flavone

>  <Target> (217)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (217)
free base

>  <CAS> (217)
144707-18-6

>  <URL> (217)
http://selleckchem.com/products/2-d08.html

$$$$
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M  END
>  <Mol_ID> (218)
3685

>  <Formula> (218)
C23H18FN5O2

>  <MolWeight> (218)
415.4197232

>  <Cat> (218)
S8672

>  <Name> (218)
Tenalisib (RP6530)

>  <Synonyms> (218)
N/A

>  <Target> (218)
PI3K

>  <Form> (218)
free base

>  <CAS> (218)
1639417-53-0

>  <URL> (218)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
Cu-CPT22.cdx
csChFnd80/10232010312D

 26 27  0  0  0  0  0  0  0  0999 V2000
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   14.5113    0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
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  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
  6 15  1  0  0  0  0
  5 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (219)
3715

>  <Formula> (219)
C19H22O7

>  <MolWeight> (219)
362.37378

>  <Cat> (219)
S8677

>  <Name> (219)
Cu-CPT22

>  <Synonyms> (219)
N/A

>  <Target> (219)
TLR

>  <Form> (219)
free base

>  <CAS> (219)
1416324-85-0

>  <URL> (219)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/10232010312D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.9575    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.2970    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
  3  1  1  1  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  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
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 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (220)
3743

>  <Formula> (220)
C10H16N5O8P

>  <MolWeight> (220)
365.236501

>  <Cat> (220)
S5284

>  <Name> (220)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (220)
5'-Adenylic acid, 5'-AMP

>  <Target> (220)
AMPK

>  <Form> (220)
hydrate 

>  <CAS> (220)
18422-05-4

>  <URL> (220)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5313 SC66.cdx
csChFnd80/10232010312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (221)
3764

>  <Formula> (221)
C18H16N2O

>  <MolWeight> (221)
276.33244

>  <Cat> (221)
S5313

>  <Name> (221)
SC66

>  <Synonyms> (221)
N/A

>  <Target> (221)
Akt

>  <Form> (221)
free base

>  <CAS> (221)
871361-88-5

>  <URL> (221)
http://selleckchem.com/products/sc66.html

$$$$
AZD1390.cdx
csChFnd80/10232010312D

 35 39  0  0  0  0  0  0  0  0999 V2000
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (222)
3770

>  <Formula> (222)
C27H32FN5O2

>  <MolWeight> (222)
477.5736832

>  <Cat> (222)
S8680

>  <Name> (222)
AZD1390

>  <Synonyms> (222)
N/A

>  <Target> (222)
ATM/ATR

>  <Form> (222)
free base

>  <CAS> (222)
2089288-03-7

>  <URL> (222)
http://selleckchem.com/products/azd1390.html

$$$$
bpV (HOpic).cdx
csChFnd80/10232010312D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   16.7903    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.8603    0.0561    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.6374    1.5568    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.5711    0.8351    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7222   22.7687    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   22.7687    0.0000 K   0  3  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
  9 10  2  0  0  0  0
  2 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (223)
3823

>  <Formula> (223)
C6H4K2NO8V

>  <MolWeight> (223)
347.23596

>  <Cat> (223)
S8651

>  <Name> (223)
bpV (HOpic)

>  <Synonyms> (223)
Bisperoxovanadium(HOpic)

>  <Target> (223)
PTEN

>  <Form> (223)
potassium 

>  <CAS> (223)
722494-26-0

>  <URL> (223)
http://selleckchem.com/products/bpv-hopic.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/10232010312D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.6326    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
    4.8497    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    1.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    6.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 10 19  1  6  0  0  0
 12 20  1  1  0  0  0
  9 21  1  1  0  0  0
 11 22  1  6  0  0  0
  5 23  1  1  0  0  0
 17 24  2  0  0  0  0
 24 25  1  4  0  0  0
 16 26  2  0  0  0  0
M  END
>  <Mol_ID> (224)
3831

>  <Formula> (224)
C21H28O2

>  <MolWeight> (224)
312.44582

>  <Cat> (224)
S3792

>  <Name> (224)
Guggulsterone E&Z

>  <Synonyms> (224)
N/A

>  <Target> (224)
FXR

>  <Form> (224)
free base

>  <CAS> (224)
95975-55-6

>  <URL> (224)
http://selleckchem.com/products/guggulsterone.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/10232010312D

 24 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    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
    9.6995    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
   10.9119    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
   12.1244    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
   13.3368    2.8000    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
   14.5492    2.1000    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
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    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
    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
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  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
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (225)
3888

>  <Formula> (225)
C22H42O2

>  <MolWeight> (225)
338.56768

>  <Cat> (225)
S5383

>  <Name> (225)
Erucic acid

>  <Synonyms> (225)
cis-13-docosenoic acid

>  <Target> (225)
Others

>  <Form> (225)
free base

>  <CAS> (225)
112-86-7

>  <URL> (225)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/10232010312D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6292    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9590    0.2576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677    2.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8093    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (226)
3913

>  <Formula> (226)
C8H6BrN

>  <MolWeight> (226)
196.04394

>  <Cat> (226)
S5439

>  <Name> (226)
5-Bromoindole

>  <Synonyms> (226)
N/A

>  <Target> (226)
GSK-3

>  <Form> (226)
free base

>  <CAS> (226)
10075-50-0

>  <URL> (226)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/10232010312D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.2942    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2942    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    4.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7237    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    0.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9320    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    4.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4104    2.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    4.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8414    4.1879    0.0000 O   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
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (227)
3923

>  <Formula> (227)
C20H20O4

>  <MolWeight> (227)
324.3704

>  <Cat> (227)
S5456

>  <Name> (227)
Isobavachalcone

>  <Synonyms> (227)
Corylifolinin

>  <Target> (227)
Anti-infection

>  <Form> (227)
free base

>  <CAS> (227)
20784-50-3

>  <URL> (227)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5265 TBB.cdx
csChFnd80/10232010312D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6325    3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    1.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7700    2.7954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927    3.9166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927    1.6743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    5.5909    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3902    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2006    0.0000 Br  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
  8  1  1  0  0  0  0
  4  2  1  0  0  0  0
  9  2  1  0  0  0  0
  6  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <Mol_ID> (228)
4031

>  <Formula> (228)
C6HBr4N3

>  <MolWeight> (228)
434.70824

>  <Cat> (228)
S5265

>  <Name> (228)
TBB

>  <Synonyms> (228)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (228)
Casein Kinase

>  <CAS> (228)
17374-26-4

>  <URL> (228)
http://selleckchem.com/products/tbb.html

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/10232010312D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6481    3.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    4.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6482    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8605    4.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729    3.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8605    5.5826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0077    1.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4888    3.5093    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
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
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4086

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C9H10O5

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S5550

>  <Name> (229)
Ethyl gallate

>  <Synonyms> (229)
N/A

>  <Target> (229)
NF-¦ÊB

>  <CAS> (229)
831-61-8

>  <URL> (229)
http://selleckchem.com/products/.html

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (230)
4129

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C15H24N2O2

>  <MolWeight> (230)
264.36326

>  <Cat> (230)
S9384

>  <Name> (230)
Sophocarpine Monohydrate

>  <Form> (230)
free base

>  <CAS> (230)
 145572-44-7

$$$$
S9413 Yangonin.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (231)
4151

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C15H14O4

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S9413

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Yangonin

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free base

>  <CAS> (231)
500-62-9

$$$$
S9417 Homoplantaginin.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (232)
4154

>  <Formula> (232)
C22H22O11

>  <MolWeight> (232)
462.40348

>  <Cat> (232)
S9417

>  <Name> (232)
Homoplantaginin

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free base

>  <CAS> (232)
17680-84-1

$$$$
S9438 Isosakuranetin.cdx
csChFnd80/10232010312D

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>  <Cat> (233)
S9438

>  <Name> (233)
Isosakuranetin

>  <Form> (233)
free base

>  <CAS> (233)
480-43-3

$$$$

csChFnd80/10232010312D

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M  END
>  <Mol_ID> (234)
4250

>  <Formula> (234)
C24H28N4O3

>  <MolWeight> (234)
420.50412

>  <Cat> (234)
S8556

>  <Name> (234)
AZ31

>  <Synonyms> (234)
N/A

>  <Target> (234)
ATM/ATR

>  <Form> (234)
Free Base

>  <CAS> (234)
2088113-98-6

>  <URL> (234)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/10232010312D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 30 34  1  0  0  0  0
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M  END
>  <Mol_ID> (235)
4251

>  <Formula> (235)
C23H14ClF3N6O

>  <MolWeight> (235)
482.8450696

>  <Cat> (235)
S8560

>  <Name> (235)
Seletalisib (UCB-5857)

>  <Synonyms> (235)
N/A

>  <Target> (235)
PI3K

>  <Form> (235)
Free Base

>  <CAS> (235)
1362850-20-1

>  <URL> (235)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/10232010312D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 18 20  1  0  0  0  0
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 12 31  1  0  0  0  0
M  END
>  <Mol_ID> (236)
4255

>  <Formula> (236)
C24H18ClN3O3

>  <MolWeight> (236)
431.87102

>  <Cat> (236)
S8654

>  <Name> (236)
ex229 (compound 991)

>  <Synonyms> (236)
N/A

>  <Target> (236)
AMPK

>  <Form> (236)
Free Base

>  <CAS> (236)
1219739-36-2

>  <URL> (236)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/10232010312D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 12  7  2  0  0  0  0
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M  END
>  <Mol_ID> (237)
4263

>  <Formula> (237)
C20H16N4O

>  <MolWeight> (237)
328.36724

>  <Cat> (237)
S8729

>  <Name> (237)
AZ32

>  <Synonyms> (237)
N/A

>  <Target> (237)
ATM/ATR

>  <Form> (237)
Free Base

>  <CAS> (237)
No CAS

>  <URL> (237)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/10232010312D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (238)
4265

>  <Formula> (238)
C17H20F3N7O2

>  <MolWeight> (238)
411.3816096

>  <Cat> (238)
S8738

>  <Name> (238)
Bimiralisib (PQR309)

>  <Synonyms> (238)
N/A

>  <Target> (238)
PI3K

>  <Form> (238)
Free Base

>  <CAS> (238)
1225037-39-7

>  <URL> (238)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/10232010312D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    1.2814    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1311    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3435    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5560    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5560    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3435    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1311    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7684    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9808    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9808    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9808    1.6834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1272    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4966    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4118    0.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8041    0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2814    5.8834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0689    3.7834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 11  1  0  0  0  0
 14 18  1  0  0  0  0
 19 18  1  6  0  0  0
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 20 21  1  0  0  0  0
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 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
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  2 28  1  0  0  0  0
 28 29  1  0  0  0  0
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  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
M  END
>  <Mol_ID> (239)
4271

>  <Formula> (239)
C21H25F3N6O2

>  <MolWeight> (239)
450.4574096

>  <Cat> (239)
S8752

>  <Name> (239)
leniolisib(CDZ 173)

>  <Synonyms> (239)
N/A

>  <Target> (239)
PI3K

>  <Form> (239)
Free Base

>  <CAS> (239)
1354690-24-6

>  <URL> (239)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/10232010312D

 36 41  0  0  0  0  0  0  0  0999 V2000
   10.3779    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8028    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2277    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8650    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 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  9  1  0  0  0  0
 11 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 11  1  0  0  0  0
  7 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  7  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 30  2  0  0  0  0
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 31 27  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 14 36  1  0  0  0  0
M  END
>  <Mol_ID> (240)
4278

>  <Formula> (240)
C26H23FN8O

>  <MolWeight> (240)
482.5122232

>  <Cat> (240)
S8764

>  <Name> (240)
IITZ-01

>  <Synonyms> (240)
N/A

>  <Target> (240)
Autophagy

>  <Form> (240)
Free Base

>  <CAS> (240)
1807988-47-1

>  <URL> (240)
http://www.selleckchem.com/products/iitz-01.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/10232010312D

 46 50  0  0  0  0  0  0  0  0999 V2000
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   10.9159    4.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4879    4.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4879    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    5.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    6.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    8.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4945    8.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3438    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7717    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9824    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7912    5.0576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9824    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.2736    8.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2695    7.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6113    6.4961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8759    6.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8776    8.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6654    9.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9351    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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 10  2  1  0  0  0  0
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 13  9  1  0  0  0  0
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  1  2  2  0  0  0  0
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 44 45  2  0  0  0  0
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M  END
>  <Mol_ID> (241)
4292

>  <Formula> (241)
C38H46O8

>  <MolWeight> (241)
630.76704

>  <Cat> (241)
S9031

>  <Name> (241)
Gambogenic acid

>  <Form> (241)
free base

>  <CAS> (241)
173932-75-7

$$$$
S9061 Hydroxy safflor yellow A.cdx
csChFnd80/10232010312D

 43 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (242)
4311

>  <Formula> (242)
C27H32O16

>  <MolWeight> (242)
612.53338

>  <Cat> (242)
S9061

>  <Name> (242)
Hydroxy safflor yellow A

>  <Form> (242)
free base

>  <CAS> (242)
78281-02-4

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/10232010312D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (243)
4329

>  <Formula> (243)
C21H20O6

>  <MolWeight> (243)
368.3799

>  <Cat> (243)
S9080

>  <Name> (243)
Anhydroicaritin

>  <Form> (243)
free base

>  <CAS> (243)
118525-40-9

$$$$
S9092 Norisoboldine.cdx
csChFnd80/10232010312D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.8494    2.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    3.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  1  0  0  0  0
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 10  4  1  0  0  0  0
 12  4  1  0  0  0  0
 14  5  1  0  0  0  0
  5 24  1  6  0  0  0
 10  5  1  0  0  0  0
  9  6  1  0  0  0  0
 16  6  1  0  0  0  0
 21  7  1  0  0  0  0
 11  7  1  0  0  0  0
 13  8  2  0  0  0  0
 11  9  2  0  0  0  0
 17  9  1  0  0  0  0
 15 12  2  0  0  0  0
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 22 17  1  0  0  0  0
 18 21  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (244)
4341

>  <Formula> (244)
C18H19NO4

>  <MolWeight> (244)
313.34776

>  <Cat> (244)
S9092

>  <Name> (244)
Norisoboldine

>  <Form> (244)
free base

>  <CAS> (244)
23599-69-1

$$$$
S9093 Nardosinone.cdx
csChFnd80/10232010312D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.3109    5.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8830    4.4304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (245)
4342

>  <Formula> (245)
C15H22O3

>  <MolWeight> (245)
250.33338

>  <Cat> (245)
S9093

>  <Name> (245)
Nardosinone

>  <Form> (245)
free base

>  <CAS> (245)
23720-80-1

$$$$
S9111 Isorhamnetin.cdx
csChFnd80/10232010312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6120    6.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (246)
4357

>  <Formula> (246)
C16H12O7

>  <MolWeight> (246)
316.26228

>  <Cat> (246)
S9111

>  <Name> (246)
Isorhamnetin

>  <Form> (246)
free base

>  <CAS> (246)
480-19-3

$$$$
S9114 Polyphyllin I.cdx
csChFnd80/10232010312D

 65 73  0  0  0  0  0  0  0  0999 V2000
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Polyphyllin I

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free base

>  <CAS> (247)
50773-41-6

$$$$
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>  <Formula> (248)
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>  <Cat> (248)
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>  <Name> (248)
Picfeltarraenin IA

>  <Form> (248)
free base

>  <CAS> (248)
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$$$$
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>  <Mol_ID> (249)
4382

>  <Formula> (249)
C37H40N2O6

>  <MolWeight> (249)
608.7233

>  <Cat> (249)
S9141

>  <Name> (249)
Berbamine

>  <Form> (249)
free base

>  <CAS> (249)
478-61-5

$$$$
S9172 Phellodendrine.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (250)
4405

>  <Formula> (250)
C20H24NO4+

>  <MolWeight> (250)
342.40886

>  <Cat> (250)
S9172

>  <Name> (250)
Phellodendrine

>  <Form> (250)
free base

>  <CAS> (250)
6873-13-8

$$$$
S9183 Ruscogenin.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (251)
4414

>  <Formula> (251)
C27H42O4

>  <MolWeight> (251)
430.61998

>  <Cat> (251)
S9183

>  <Name> (251)
Ruscogenin

>  <Form> (251)
free base

>  <CAS> (251)
472-11-7

$$$$
S9190 Oroxin B.cdx
csChFnd80/10232010312D

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>  <Mol_ID> (252)
4420

>  <Formula> (252)
C27H30O15

>  <MolWeight> (252)
594.5181

>  <Cat> (252)
S9190

>  <Name> (252)
Oroxin B

>  <Form> (252)
free base

>  <CAS> (252)
114482-86-9

$$$$

csChFnd80/10232010312D

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31008-19-2

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csChFnd80/10232010312D

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5041-81-6

$$$$
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csChFnd80/10232010312D

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csChFnd80/10232010312D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (258)
4512

>  <Formula> (258)
C21H22O7

>  <MolWeight> (258)
386.39518

>  <Cat> (258)
S9315

>  <Name> (258)
Praeruptorin A

>  <Form> (258)
free base

>  <CAS> (258)
73069-25-7

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/10232010312D

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M  END
>  <Mol_ID> (259)
4669

>  <Formula> (259)
C43H44ClFN4O11S3

>  <MolWeight> (259)
943.4760632

>  <Cat> (259)
S5241

>  <Name> (259)
Lapatinib ditosylate monohydrate

>  <Synonyms> (259)
Tykerb Ditosylate

>  <Target> (259)
Others

>  <Form> (259)
ditosylate monohydrate

>  <CAS> (259)
388082-78-8

>  <URL> (259)
http://selleckchem.com/products/.html

$$$$

csChFnd80/10232010312D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (260)
4848

>  <Formula> (260)
C21H16FN7O

>  <MolWeight> (260)
401.3964432

>  <Cat> (260)
S5818

>  <Name> (260)
acalisib (GS-9820)

>  <Synonyms> (260)
CAL-120

>  <Target> (260)
PI3K

>  <Form> (260)
Free Base

>  <CAS> (260)
870281-34-8

>  <URL> (260)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/10232010312D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 17  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 26  1  0  0  0  0
 21 26  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 32  1  0  0  0  0
 27 32  2  0  0  0  0
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 11 12  1  0  0  0  0
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M  END
>  <Mol_ID> (261)
4871

>  <Formula> (261)
C27H19ClN2O3

>  <MolWeight> (261)
454.90436

>  <Cat> (261)
S8803

>  <Name> (261)
MK-3903

>  <Synonyms> (261)
N/A

>  <Target> (261)
AMPK

>  <Form> (261)
Free Base

>  <CAS> (261)
1219737-12-8

>  <URL> (261)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/10232010312D

 44 48  0  0  0  0  0  0  0  0999 V2000
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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  6  0  0  0
 35 38  1  1  0  0  0
 34 39  1  6  0  0  0
 33 40  1  6  0  0  0
 32 30  1  1  0  0  0
 26 30  1  6  0  0  0
 41 42  1  0  0  0  0
 29 41  1  1  0  0  0
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M  END
>  <Mol_ID> (262)
4885

>  <Formula> (262)
C28H32O16

>  <MolWeight> (262)
624.54408

>  <Cat> (262)
S9455

>  <Name> (262)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (262)
N/A

>  <Target> (262)
Others

>  <Form> (262)
Free Base

>  <CAS> (262)
55033-90-4

>  <URL> (262)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/10232010312D

 38 42  0  0  0  0  0  0  0  0999 V2000
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 11  1  1  0  0  0  0
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 12  3  2  0  0  0  0
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 20  4  1  0  0  0  0
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 13  5  1  0  0  0  0
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 10  6  1  0  0  0  0
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 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
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 17  8  1  0  0  0  0
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 14  9  1  0  0  0  0
 18 10  1  0  0  0  0
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M  END
>  <Mol_ID> (263)
4921

>  <Formula> (263)
C30H48O5

>  <MolWeight> (263)
488.69912

>  <Cat> (263)
S9514

>  <Name> (263)
Rotundic acid

>  <Synonyms> (263)
Rutundic acid

>  <Target> (263)
Others

>  <Form> (263)
Free Base

>  <CAS> (263)
20137-37-5

>  <URL> (263)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/10232010312D

 12 12  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (264)
4985

>  <Formula> (264)
C10H10O2

>  <MolWeight> (264)
162.1852

>  <Cat> (264)
S6221

>  <Name> (264)
Methyl cinnamate

>  <Synonyms> (264)
N/A

>  <Target> (264)
Others

>  <Form> (264)
free base

>  <CAS> (264)
103-26-4

>  <URL> (264)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/10232010312D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 13  8  2  0  0  0  0
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M  END
>  <Mol_ID> (265)
5320

>  <Formula> (265)
C23H26N6O2

>  <MolWeight> (265)
418.49154

>  <Cat> (265)
S6414

>  <Name> (265)
Apilimod

>  <Synonyms> (265)
STA-5326

>  <Target> (265)
PI3K

>  <Form> (265)
Free Base

>  <CAS> (265)
541550-19-0

>  <URL> (265)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/10232010312D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    3.6081    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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 22  7  2  0  0  0  0
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M  END
>  <Mol_ID> (266)
5386

>  <Formula> (266)
C23H20FN7O

>  <MolWeight> (266)
429.4496032

>  <Cat> (266)
S8693

>  <Name> (266)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (266)
N/A

>  <Target> (266)
PI3K

>  <Form> (266)
Free Base

>  <CAS> (266)
2088525-31-7

>  <URL> (266)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/10232010312D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 27 32  2  0  0  0  0
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M  END
>  <Mol_ID> (267)
6670

>  <Formula> (267)
C22H19ClN2O6S

>  <MolWeight> (267)
474.91406

>  <Cat> (267)
S6503

>  <Name> (267)
LX2343

>  <Synonyms> (267)
N/A

>  <Target> (267)
BACE

>  <Form> (267)
free base

>  <CAS> (267)
333745-53-2

>  <URL> (267)
http://www.selleck.cn/products/lx2343.html

$$$$

csChFnd80/10232010312D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 12  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 16  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
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 13 17  1  0  0  0  0
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 18 14  1  0  0  0  0
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M  END
>  <Mol_ID> (268)
6672

>  <Formula> (268)
C16H15N3O2

>  <MolWeight> (268)
281.3092

>  <Cat> (268)
S6506

>  <Name> (268)
Compound 401

>  <Synonyms> (268)
N/A

>  <Target> (268)
DNA-PK

>  <Form> (268)
free base

>  <CAS> (268)
168425-64-7

>  <URL> (268)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/10232010312D

 34 38  0  0  0  0  0  0  0  0999 V2000
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free base

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38136-70-8

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Akt

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1800070-77-2

>  <URL> (276)
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Free Base

>  <CAS> (277)
2230820-11-6

>  <URL> (277)
http://www.selleck.cn/products/azd7648.html

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N/A

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Akt

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Free Base

>  <CAS> (278)
1402608-02-9

>  <URL> (278)
http://www.selleck.cn/products/bay1125976.html

$$$$

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C33H40O18

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ligustroflavone

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Nuezhenoside

>  <Target> (279)
AMPK

>  <Form> (279)
Free Base

>  <CAS> (279)
260413-62-5

>  <URL> (279)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/10232010312D

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Indoprofen

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N/A

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   18.1865   11.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8516    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  2  0  0  0  0
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 37 40  2  0  0  0  0
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M  END
>  <Mol_ID> (284)
7188

>  <Formula> (284)
C25H34N6O8S2

>  <MolWeight> (284)
610.70286

>  <Cat> (284)
S0785

>  <Name> (284)
Apilimod mesylate

>  <Target> (284)
Interleukins

>  <Form> (284)
mesylate

>  <CAS> (284)
870087-36-8

>  <URL> (284)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/10232010312D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (285)
7215

>  <Formula> (285)
C7H7NO2

>  <MolWeight> (285)
137.13598

>  <Cat> (285)
S3220

>  <Name> (285)
Trigonelline

>  <Target> (285)
Phospholipase (e.g. 

>  <Form> (285)
free base

>  <CAS> (285)
535-83-1

>  <URL> (285)
http://www.selleckchem.com/products/trigonelline.html

$$$$

csChFnd80/10232010312D

 32 37  0  0  0  0  0  0  0  0999 V2000
    5.2310    4.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1825    4.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 14 18  1  0  0  0  0
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 22 28  2  0  0  0  0
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 29 31  1  0  0  0  0
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M  END
>  <Mol_ID> (286)
7218

>  <Formula> (286)
C26H34O6

>  <MolWeight> (286)
442.54456

>  <Cat> (286)
S3224

>  <Name> (286)
Cinobufagin

>  <Target> (286)
ATM/ATR

>  <Form> (286)
free base

>  <CAS> (286)
470-37-1

>  <URL> (286)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/10232010312D

 28 33  0  0  0  0  0  0  0  0999 V2000
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   13.9875    2.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5564    0.1442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.6826    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6176    2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  8  1  1  1  0  0  0
 24  2  1  1  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  1  0  0  0
  7  9  1  0  0  0  0
  7 15  1  6  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  1  0  0  0
 10 11  1  0  0  0  0
 10 20  1  1  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 22  1  1  0  0  0
 13 14  1  0  0  0  0
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 16 21  1  6  0  0  0
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M  END
>  <Mol_ID> (287)
7226

>  <Formula> (287)
C24H32O4

>  <MolWeight> (287)
384.50848

>  <Cat> (287)
S3238

>  <Name> (287)
Resibufogenin

>  <Target> (287)
RIP kinase

>  <Form> (287)
free base

>  <CAS> (287)
465-39-4

>  <URL> (287)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/10232010312D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  2  0  0  0  0
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 20 10  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (288)
7229

>  <Formula> (288)
C17H18O4

>  <MolWeight> (288)
286.32242

>  <Cat> (288)
S3241

>  <Name> (288)
Loureirin A

>  <Target> (288)
Akt

>  <Form> (288)
free base

>  <CAS> (288)
119425-89-7

>  <URL> (288)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/10232010312D

 26 29  0  0  0  0  0  0  0  0999 V2000
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    7.3441    8.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6013    9.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8640    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    4.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  1  0  0  0  0
  6 20  2  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (289)
7270

>  <Formula> (289)
C19H12O7

>  <MolWeight> (289)
352.29438

>  <Cat> (289)
S3289

>  <Name> (289)
Daphnoretin

>  <Target> (289)
PKC

>  <Form> (289)
free base

>  <CAS> (289)
2034-69-7

>  <URL> (289)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/10232010312D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 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
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (290)
7274

>  <Formula> (290)
C16H17NO3

>  <MolWeight> (290)
271.31108

>  <Cat> (290)
S3294

>  <Name> (290)
Demethyl-Coclaurine

>  <Target> (290)
Adrenergic Receptor

>  <Form> (290)
free base

>  <CAS> (290)
5843-65-2

>  <URL> (290)
http://www.selleckchem.com/products/demethyl-coclaurine.html

$$$$

csChFnd80/10232010312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4878    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (291)
7276

>  <Formula> (291)
C16H12O6

>  <MolWeight> (291)
300.26288

>  <Cat> (291)
S3296

>  <Name> (291)
Hispidulin

>  <Target> (291)
Pim

>  <Form> (291)
free base

>  <CAS> (291)
1447-88-7

>  <URL> (291)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/10232010312D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  1  0  0  0  0
  7 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
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (292)
7279

>  <Formula> (292)
C19H18NO4+

>  <MolWeight> (292)
324.35052

>  <Cat> (292)
S3299

>  <Name> (292)
Demethyleneberberine

>  <Target> (292)
Peroxidases

>  <Form> (292)
free base

>  <CAS> (292)
25459-91-0

>  <URL> (292)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/10232010312D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    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
    8.4870    1.4000    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  7  8  2  0  0  0  0
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  4  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 10  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 20  1  0  0  0  0
 13 14  1  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 26  1  0  0  0  0
 21 26  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 31  1  0  0  0  0
 24 27  1  0  0  0  0
 13 21  1  0  0  0  0
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  2  3  1  0  0  0  0
  1 34  1  0  0  0  0
M  END
>  <Mol_ID> (293)
7296

>  <Formula> (293)
C27H33ClN2O4

>  <MolWeight> (293)
485.01492

>  <Cat> (293)
S6760

>  <Name> (293)
LM22B-10

>  <Target> (293)
Trk receptor

>  <Form> (293)
free base

>  <CAS> (293)
342777-54-2

>  <URL> (293)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/10232010312D

 33 38  0  0  0  0  0  0  0  0999 V2000
    7.7960    0.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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7301

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C27H24N6

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Akt

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free base

>  <CAS> (294)
1313881-70-7

>  <URL> (294)
http://www.selleckchem.com/products/miransertib.html

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csChFnd80/10232010312D

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7304

>  <Formula> (295)
C15H18Cl2N2O2S

>  <MolWeight> (295)
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ML-9 HCl

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Akt

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hydrochloride

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105637-50-1

>  <URL> (295)
http://www.selleckchem.com/products/ml-9-hcl.html

$$$$

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>  <Formula> (296)
C22H13FN2O5

>  <MolWeight> (296)
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>  <Cat> (296)
S9602

>  <Name> (296)
9-ing-41

>  <Target> (296)
GSK-3

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>  <CAS> (296)
1034895-42-5

>  <URL> (296)
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csChFnd80/10232010312D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (297)
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>  <MolWeight> (297)
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free base

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1422365-93-2

>  <URL> (297)
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>  <Cat> (298)
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>  <Target> (298)
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>  <CAS> (298)
57818-44-7

>  <URL> (298)
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    5.1554    7.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3678    8.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3678    9.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1554   10.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430    9.5441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5803    7.4441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5803    6.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7927    5.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0051    6.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0051    7.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7927    8.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2176    5.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2176    3.9441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4300    6.0441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6425    5.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8549    6.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8549    7.4441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6425    8.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4300    7.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7820    9.1341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4297    9.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0673    8.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4196    7.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5803   10.2441    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4071    3.5538    0.0000 N   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  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  6  7  1  0  0  0  0
  1  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  9 10  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
 13 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 27 32  1  0  0  0  0
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  4 38  1  0  0  0  0
  8 39  1  0  0  0  0
M  END
>  <Mol_ID> (299)
7371

>  <Formula> (299)
C25H29F2N9O3

>  <MolWeight> (299)
541.5530664

>  <Cat> (299)
S9639

>  <Name> (299)
VX-803 (M4344)

>  <Target> (299)
ATM/ATR

>  <Form> (299)
free base

>  <CAS> (299)
1613191-99-3

>  <URL> (299)
http://www.selleckchem.com/products/vx803-m4344.html

$$$$
