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>  <Mol_ID> (1)
13

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C53H84NO14P

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990.206121

>  <Cat> (1)
S1022

>  <Name> (1)
Deforolimus (MK-8669) 

>  <Synonyms> (1)
AP23573, MK-8669

>  <Target> (1)
mTOR

>  <Form> (1)
Free Base

>  <CAS> (1)
572924-54-0

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

$$$$
1.cdx
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M  END
>  <Mol_ID> (2)
26

>  <Formula> (2)
C19H16N4O3

>  <MolWeight> (2)
348.35534

>  <Cat> (2)
S1038

>  <Name> (2)
PI-103

>  <Synonyms> (2)
N/A

>  <Target> (2)
DNA-PK, PI3K, mTOR

>  <Form> (2)
Free Base

>  <CAS> (2)
371935-74-9

>  <URL> (2)
http://www.selleckchem.com/products/PI-103.html

$$$$
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mTOR 

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

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C23H27N7O3S2

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PI3K 

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957054-30-7

>  <URL> (4)
http://www.selleckchem.com/products/GDC-0941.html

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280744-09-4

>  <URL> (6)
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>  <Mol_ID> (7)
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C21H16FN3OS

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SB 203580

>  <Synonyms> (7)
N/A

>  <Target> (7)
p38 MAPK 

>  <Form> (7)
Free Base

>  <CAS> (7)
152121-47-6

>  <URL> (7)
http://www.selleckchem.com/products/SB-203580.html

$$$$

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>  <Mol_ID> (8)
48

>  <Formula> (8)
C25H23Cl2N5O

>  <MolWeight> (8)
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>  <Cat> (8)
S1078

>  <Name> (8)
MK-2206 dihydrochloride

>  <Synonyms> (8)
N/A

>  <Target> (8)
Akt

>  <Form> (8)
Dihydrochloride

>  <CAS> (8)
1032350-13-2

>  <URL> (8)
http://www.selleckchem.com/products/MK-2206.html

$$$$
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>  <Mol_ID> (9)
56

>  <Formula> (9)
C21H17NO3S2

>  <MolWeight> (9)
395.49458

>  <Cat> (9)
S1092

>  <Name> (9)
KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (9)
N/A

>  <Target> (9)
ATM 

>  <Form> (9)
Free Base

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

>  <URL> (9)
http://www.selleckchem.com/products/KU-55933.html

$$$$
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M  END
>  <Mol_ID> (13)
74

>  <Formula> (13)
C53H83NO14

>  <MolWeight> (13)
958.22442

>  <Cat> (13)
S1120

>  <Name> (13)
Everolimus (RAD001)

>  <Synonyms> (13)
Certican, Zortress, Afinitor

>  <Target> (13)
mTOR

>  <Form> (13)
Free Base

>  <CAS> (13)
159351-69-6

>  <URL> (13)
http://www.selleckchem.com/products/Everolimus(RAD001).html

$$$$
TGX-221.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (14)
99

>  <Formula> (14)
C21H24N4O2

>  <MolWeight> (14)
364.44086

>  <Cat> (14)
S1169

>  <Name> (14)
TGX-221

>  <Synonyms> (14)
N/A

>  <Target> (14)
PI3K

>  <Form> (14)
Free Base

>  <CAS> (14)
663619-89-4

>  <URL> (14)
http://www.selleckchem.com/products/TGX-221.html

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (15)
126

>  <Formula> (15)
C27H30ClNO11

>  <MolWeight> (15)
579.9802

>  <Cat> (15)
S1208

>  <Name> (15)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (15)
N/A 

>  <Target> (15)
Topoisomerase

>  <Form> (15)
Hydrochloride

>  <CAS> (15)
25316-40-9

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

$$$$
KU-0063794.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (16)
136

>  <Formula> (16)
C25H31N5O4

>  <MolWeight> (16)
465.54474

>  <Cat> (16)
S1226

>  <Name> (16)
Ku-0063794

>  <Synonyms> (16)
N/A

>  <Target> (16)
mTOR 

>  <Form> (16)
Free Base

>  <CAS> (16)
938440-64-3

>  <URL> (16)
http://www.selleckchem.com/products/KU-0063794.html

$$$$
WYE-354.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (17)
158

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C24H29N7O5

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495.53096

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S1266

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WYE-354

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N/A

>  <Target> (17)
mTOR 

>  <Form> (17)
Free Base

>  <CAS> (17)
1062169-56-5

>  <URL> (17)
http://www.selleckchem.com/products/WYE-354.html

$$$$
TG100-115.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (18)
227

>  <Formula> (18)
C18H14N6O2

>  <MolWeight> (18)
346.34276

>  <Cat> (18)
S1352

>  <Name> (18)
TG100-115

>  <Synonyms> (18)
N/A

>  <Target> (18)
PI3K

>  <Form> (18)
Free Base

>  <CAS> (18)
677297-51-7

>  <URL> (18)
http://www.selleckchem.com/products/TG100-115.html

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (19)
235

>  <Formula> (19)
C22H19Cl3N8

>  <MolWeight> (19)
501.79886

>  <Cat> (19)
S2924

>  <Name> (19)
CHIR-99021 (CT99021) HCl

>  <Synonyms> (19)
N/A

>  <Target> (19)
PI3K/Akt/mTOR

>  <Form> (19)
Hydrochloride

>  <CAS> (19)
252917-06-9 (free base)

>  <URL> (19)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$

csChFnd80/04212014572D

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>  <Mol_ID> (20)
307

>  <Formula> (20)
C14H16ClN3O4S2

>  <MolWeight> (20)
389.87754

>  <Cat> (20)
S1489

>  <Name> (20)
PIK-93

>  <Synonyms> (20)
N/A

>  <Target> (20)
PI3K, VEGFR

>  <Form> (20)
Free Base

>  <CAS> (20)
593960-11-3

>  <URL> (20)
http://www.selleckchem.com/products/PIK-93.html

$$$$
P529.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (25)
344

>  <Formula> (25)
C20H20ClN3

>  <MolWeight> (25)
337.8459

>  <Cat> (25)
S1558

>  <Name> (25)
AT7867

>  <Synonyms> (25)
N/A

>  <Target> (25)
Akt, S6 kinase

>  <Form> (25)
Free Base

>  <CAS> (25)
857531-00-1

>  <URL> (25)
http://www.selleckchem.com/products/AT7867.html

$$$$
KU-60019.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (26)
350

>  <Formula> (26)
C30H33N3O5S

>  <MolWeight> (26)
547.66512

>  <Cat> (26)
S1570

>  <Name> (26)
KU-60019

>  <Synonyms> (26)
N/A

>  <Target> (26)
ATM 

>  <Form> (26)
Free Base

>  <CAS> (26)
925701-49-1

>  <URL> (26)
http://www.selleckchem.com/products/KU-60019.html

$$$$
Artemisinin.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (27)
390

>  <Formula> (27)
C15H22O5

>  <MolWeight> (27)
282.33218

>  <Cat> (27)
S1282

>  <Name> (27)
Artemisinin

>  <Synonyms> (27)
Qinghaosu

>  <Target> (27)
Antifection

>  <Form> (27)
Free Base

>  <CAS> (27)
63968-64-9

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (28)
486

>  <Formula> (28)
C4H12ClN5

>  <MolWeight> (28)
165.62458

>  <Cat> (28)
S1950

>  <Name> (28)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (28)
Glucophage, Riomet, Diabex

>  <Target> (28)
Others

>  <Form> (28)
Hydrochloride

>  <CAS> (28)
1115-70-4

>  <URL> (28)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Indirubin.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (29)
527

>  <Formula> (29)
C16H10N2O2

>  <MolWeight> (29)
262.2628

>  <Cat> (29)
S2386

>  <Name> (29)
Indirubin

>  <Synonyms> (29)
N/A

>  <Target> (29)
GSK-3

>  <Form> (29)
Free Base

>  <CAS> (29)
479-41-4 

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

$$$$
CHIR-98014.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (30)
550

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C20H17Cl2N9O2

>  <MolWeight> (30)
486.31408

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S2745

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CHIR-98014

>  <Synonyms> (30)
N/A

>  <Target> (30)
GSK-3

>  <Form> (30)
Free Base

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252935-94-7

>  <URL> (30)
http://www.selleckchem.com/products/chir-98014.html

$$$$
NVP-BGT226.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (31)
555

>  <Formula> (31)
C32H29F3N6O6

>  <MolWeight> (31)
650.6044696

>  <Cat> (31)
S2749

>  <Name> (31)
NVP-BGT226

>  <Synonyms> (31)
N/A 

>  <Target> (31)
PI3K, mTOR

>  <Form> (31)
Maleate

>  <CAS> (31)
1245537-68-1

>  <URL> (31)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (32)
557

>  <Formula> (32)
C25H21N7O3

>  <MolWeight> (32)
467.47934

>  <Cat> (32)
S1219

>  <Name> (32)
YM201636

>  <Synonyms> (32)
N/A

>  <Target> (32)
PI3K 

>  <Form> (32)
Free Base

>  <CAS> (32)
371942-69-7

>  <URL> (32)
http://www.selleckchem.com/products/ym201636.html

$$$$
3-Methyladenine.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (33)
562

>  <Formula> (33)
C6H7N5

>  <MolWeight> (33)
149.15328

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S2767

>  <Name> (33)
3-Methyladenine (3-MA)

>  <Synonyms> (33)
3-MA

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PI3K

>  <Form> (33)
Free Base

>  <CAS> (33)
5142-23-4

>  <URL> (33)
http://www.selleckchem.com/products/3-methyladenine.html

$$$$
BX-795.cdx
csChFnd80/04212014572D

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702675-74-9

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1339928-25-4

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613

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Akt 

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Free Base

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1001264-89-6

>  <URL> (38)
http://www.selleckchem.com/products/gdc-0068.html

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csChFnd80/04212014572D

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617

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Torin 2

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N/A 

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mTOR

>  <Form> (39)
Free Base

>  <CAS> (39)
1223001-51-1

>  <URL> (39)
http://www.selleckchem.com/products/torin-2.html

$$$$
BYL-719.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (40)
618

>  <Formula> (40)
C19H22F3N5O2S

>  <MolWeight> (40)
441.4704896

>  <Cat> (40)
S2814

>  <Name> (40)
Alpelisib (BYL719)

>  <Synonyms> (40)
N/A 

>  <Target> (40)
PI3K

>  <Form> (40)
Free Base

>  <CAS> (40)
1217486-61-7

>  <URL> (40)
http://www.selleckchem.com/products/byl719.html

$$$$
Quercetin.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (41)
625

>  <Formula> (41)
C15H10O7

>  <MolWeight> (41)
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S2391

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Quercetin (Sophoretin)

>  <Synonyms> (41)
Meletin, Quercetine

>  <Target> (41)
PI3K, PKC, Src, Sirtuin

>  <Form> (41)
Free Base

>  <CAS> (41)
117-39-5

>  <URL> (41)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
Salidroside.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (42)
629

>  <Formula> (42)
C14H20O7

>  <MolWeight> (42)
300.3044

>  <Cat> (42)
S2396

>  <Name> (42)
Salidroside (Rhodioloside)

>  <Synonyms> (42)
Rhodioloside

>  <Target> (42)
Others

>  <Form> (42)
Free Base

>  <CAS> (42)
10338-51-9

>  <URL> (42)
http://www.selleckchem.com/products/Salidroside-Rhodioloside.html

$$$$
PIK 293.cdx
csChFnd80/04212014572D

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681

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N/A

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PI3K

>  <Form> (43)
Free Base

>  <CAS> (43)
900185-01-5 

>  <URL> (43)
http://www.selleckchem.com/products/PIK-293.html

$$$$
PP442.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (44)
687

>  <Formula> (44)
C16H16N6O

>  <MolWeight> (44)
308.33784

>  <Cat> (44)
S2218

>  <Name> (44)
Torkinib (PP242)

>  <Synonyms> (44)
TORKinib 

>  <Target> (44)
mTOR

>  <Form> (44)
Free Base

>  <CAS> (44)
1092351-67-1

>  <URL> (44)
http://www.selleckchem.com/products/PP242.html

$$$$
(+)-Usniacin.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (45)
691

>  <Formula> (45)
C18H16O7

>  <MolWeight> (45)
344.31544

>  <Cat> (45)
S2252

>  <Name> (45)
(+)-Usniacin (D-Usnic acid)

>  <Synonyms> (45)
D-Usnic acid

>  <Target> (45)
Others

>  <Form> (45)
Free Base

>  <CAS> (45)
7562-61-0

>  <URL> (45)
http://www.selleckchem.com/products/(+)-Usniacin(D-Usnic-acid).html

$$$$
Apigenin.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (46)
697

>  <Formula> (46)
C15H10O5

>  <MolWeight> (46)
270.2369

>  <Cat> (46)
S2262

>  <Name> (46)
Apigenin

>  <Synonyms> (46)
N/A

>  <Target> (46)
P450

>  <Form> (46)
Free Base

>  <CAS> (46)
520-36-5

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

$$$$
Honokiol.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (47)
733

>  <Formula> (47)
C18H18O2

>  <MolWeight> (47)
266.33432

>  <Cat> (47)
S2310

>  <Name> (47)
Honokiol

>  <Synonyms> (47)
N/A

>  <Target> (47)
Akt, MEK

>  <Form> (47)
Free Base

>  <CAS> (47)
35354-74-6

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

$$$$
Myricetin.cdx
csChFnd80/04212014572D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    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> (48)
745

>  <Formula> (48)
C15H10O8

>  <MolWeight> (48)
318.2351

>  <Cat> (48)
S2326

>  <Name> (48)
Myricetin (Cannabiscetin)

>  <Synonyms> (48)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (48)
NULL

>  <Form> (48)
Free Base

>  <CAS> (48)
529-44-2

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/04212014572D

 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> (49)
762

>  <Formula> (49)
C15H14O9

>  <MolWeight> (49)
338.26626

>  <Cat> (49)
S2347

>  <Name> (49)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (49)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (49)
Others

>  <Form> (49)
Dihydrate

>  <CAS> (49)
6151-25-3

>  <URL> (49)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/04212014572D

 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> (50)
767

>  <Formula> (50)
C15H12O8

>  <MolWeight> (50)
320.25098

>  <Cat> (50)
S2399

>  <Name> (50)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (50)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (50)
Others

>  <Form> (50)
Free Base

>  <CAS> (50)
27200-12-0

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

$$$$
Sophocarpine.cdx
csChFnd80/04212014572D

 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
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (51)
770

>  <Formula> (51)
C15H22N2O

>  <MolWeight> (51)
246.34798

>  <Cat> (51)
S2405

>  <Name> (51)
Sophocarpine

>  <Synonyms> (51)
N/A

>  <Target> (51)
Others

>  <Form> (51)
Free Base

>  <CAS> (51)
6483-15-4

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

$$$$
Chrysophanic acid.cdx
csChFnd80/04212014572D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (52)
771

>  <Formula> (52)
C15H10O4

>  <MolWeight> (52)
254.2375

>  <Cat> (52)
S2406

>  <Name> (52)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (52)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (52)
EGFR, mTOR

>  <Form> (52)
Free Base

>  <CAS> (52)
481-74-3

>  <URL> (52)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
GSK2126458.cdx
csChFnd80/04212014572D

 36 40  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1092788-83-4

>  <URL> (58)
http://www.selleckchem.com/products/PP121.html

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PI3K

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Free Base

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944396-07-0

>  <URL> (59)
http://www.selleckchem.com/products/BKM-120.html

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885499-61-6

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1144068-46-1

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601514-19-6

>  <URL> (69)
http://www.selleckchem.com/products/TWS119.html

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M  END
>  <Mol_ID> (84)
1173

>  <Formula> (84)
C20H22BrCl2N3O2S

>  <MolWeight> (84)
519.28258

>  <Cat> (84)
S1582

>  <Name> (84)
H 89 2HCl

>  <Synonyms> (84)
N/A

>  <Target> (84)
S6 Kinase

>  <Form> (84)
Dihydrochloride

>  <CAS> (84)
130964-39-5

>  <URL> (84)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

$$$$
aicar.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (85)
1257

>  <Formula> (85)
C9H14N4O5

>  <MolWeight> (85)
258.23126

>  <Cat> (85)
S1802

>  <Name> (85)
AICAR (Acadesine)

>  <Synonyms> (85)
AICAR, AICA-riboside

>  <Target> (85)
AMPK

>  <Form> (85)
Free Base

>  <CAS> (85)
2627-69-2

>  <URL> (85)
http://www.selleckchem.com/products/Acadesine.html

$$$$
PF-04708671.cdx
csChFnd80/04212014572D

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 18  2  1  0  0  0  0
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M  END
>  <Mol_ID> (86)
1261

>  <Formula> (86)
C19H21F3N6

>  <MolWeight> (86)
390.4054496

>  <Cat> (86)
S2163

>  <Name> (86)
PF-4708671

>  <Synonyms> (86)
PF-04708671

>  <Target> (86)
S6 Kinase

>  <Form> (86)
Free Base

>  <CAS> (86)
1255517-76-0

>  <URL> (86)
http://www.selleckchem.com/products/pf-4708671.html

$$$$
untitled.cdx
csChFnd80/04212014572D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 16  9  1  0  0  0  0
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M  END
>  <Mol_ID> (87)
1464

>  <Formula> (87)
C13H16N6O4

>  <MolWeight> (87)
320.30394

>  <Cat> (87)
S1117

>  <Name> (87)
Triciribine

>  <Synonyms> (87)
N/A

>  <Target> (87)
Akt

>  <Form> (87)
Free Base

>  <CAS> (87)
35943-35-2

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

$$$$
Flufenamic acid.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (88)
1490

>  <Formula> (88)
C14H10F3NO2

>  <MolWeight> (88)
281.2299096

>  <Cat> (88)
S4268

>  <Name> (88)
Flufenamic acid

>  <Synonyms> (88)
N/A

>  <Target> (88)
COX

>  <Form> (88)
Free Base

>  <CAS> (88)
530-78-9

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

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/04212014572D

 58 61  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (89)
1535

>  <Formula> (89)
C44H69NO12

>  <MolWeight> (89)
804.01816

>  <Cat> (89)
S5003

>  <Name> (89)
Tacrolimus (FK506)

>  <Synonyms> (89)
FR900506

>  <Target> (89)
mTOR

>  <Form> (89)
Free Base

>  <CAS> (89)
104987-11-3

>  <URL> (89)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (90)
1538

>  <Formula> (90)
C56H87NO16

>  <MolWeight> (90)
1030.28708

>  <Cat> (90)
S1044

>  <Name> (90)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (90)
N/A

>  <Target> (90)
mTOR

>  <Form> (90)
Free Base

>  <CAS> (90)
162635-04-3

>  <URL> (90)
http://www.selleckchem.com/products/Temsirolimus.html

$$$$
S1263.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (91)
1562

>  <Formula> (91)
C22H18Cl2N8

>  <MolWeight> (91)
465.33792

>  <Cat> (91)
S1263

>  <Name> (91)
CHIR-99021 (CT99021)

>  <Synonyms> (91)
N/A

>  <Target> (91)
GSK-3

>  <Form> (91)
Free Base

>  <CAS> (91)
252917-06-9

>  <URL> (91)
http://www.selleckchem.com/products/CHIR-99021.html

$$$$
Danthron.cdx
csChFnd80/04212014572D

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>  <Formula> (92)
C14H8O4

>  <MolWeight> (92)
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>  <Cat> (92)
S4561

>  <Name> (92)
Danthron

>  <Synonyms> (92)
chrysazin, Antrapurol

>  <Target> (92)
Others

>  <Form> (92)
Free Base

>  <CAS> (92)
117-10-2

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

$$$$
S4711 Esculetin.cdx
csChFnd80/04212014572D

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>  <MolWeight> (93)
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S4711

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Esculetin

>  <Synonyms> (93)
Cichorigenin|Aesculetin

>  <Target> (93)
Others

>  <Form> (93)
Free Base

>  <CAS> (93)
305-01-1

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

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/04212014572D

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1885

>  <Formula> (94)
C18H22O4

>  <MolWeight> (94)
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>  <Cat> (94)
S3984

>  <Name> (94)
Nordihydroguaiaretic acid

>  <Synonyms> (94)
N/A

>  <Target> (94)
lipoxygenase

>  <Form> (94)
free base

>  <CAS> (94)
500-38-9

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

$$$$
S3836 6-Gingerol.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (95)
1908

>  <Formula> (95)
C17H26O4

>  <MolWeight> (95)
294.38594

>  <Cat> (95)
S3836

>  <Name> (95)
6-Gingerol

>  <Synonyms> (95)
CI-1011

>  <Target> (95)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (95)
free base

>  <CAS> (95)
23513-14-6

>  <URL> (95)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (96)
1985

>  <Formula> (96)
C20H24O11

>  <MolWeight> (96)
440.39796

>  <Cat> (96)
S3781

>  <Name> (96)
Ginkgolide C

>  <Synonyms> (96)
BN-52022

>  <Target> (96)
Others

>  <Form> (96)
free base

>  <CAS> (96)
15291-76-6

>  <URL> (96)
http://www.selleckchem.com/products/ginkgolide-c.html

$$$$
Torin 1.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (97)
2011

>  <Formula> (97)
C35H28F3N5O2

>  <MolWeight> (97)
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>  <Cat> (97)
S2827

>  <Name> (97)
Torin 1

>  <Synonyms> (97)
N/A 

>  <Target> (97)
mTOR

>  <Form> (97)
Free Base

>  <CAS> (97)
1222998-36-8

>  <URL> (97)
http://www.selleckchem.com/products/torin-1.html

$$$$
TG 100713.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (98)
2016

>  <Formula> (98)
C12H10N6O

>  <MolWeight> (98)
254.2474

>  <Cat> (98)
S2870

>  <Name> (98)
TG 100713

>  <Synonyms> (98)
N/A

>  <Target> (98)
PI3K

>  <Form> (98)
Free Base

>  <CAS> (98)
925705-73-3

>  <URL> (98)
http://www.selleckchem.com/products/tg-100713.html

$$$$
CGK 733.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (99)
2033

>  <Formula> (99)
C23H18Cl3FN4O3S

>  <MolWeight> (99)
555.8364232

>  <Cat> (99)
S7136

>  <Name> (99)
CGK 733

>  <Synonyms> (99)
N/A

>  <Target> (99)
ATM/ATR

>  <Form> (99)
Free Base

>  <CAS> (99)
905973-89-9

>  <URL> (99)
http://www.selleckchem.com/products/cgk-733.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (100)
2043

>  <Formula> (100)
C18H32ClN3O8P2

>  <MolWeight> (100)
515.862502

>  <Cat> (100)
S4157

>  <Name> (100)
Chloroquine Phosphate

>  <Synonyms> (100)
N/A

>  <Target> (100)
Others

>  <Form> (100)
Diphosphate

>  <CAS> (100)
50-63-5

>  <URL> (100)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (101)
2219

>  <Formula> (101)
C32H40O8

>  <MolWeight> (101)
552.6552

>  <Cat> (101)
S3832

>  <Name> (101)
Euphorbiasteroid

>  <Synonyms> (101)
Euphorbia factor L1

>  <Target> (101)
Others

>  <Form> (101)
free base

>  <CAS> (101)
28649-59-4

>  <URL> (101)
http://selleckchem.com/products/euphorbiasteroid.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (102)
2274

>  <Formula> (102)
C47H80O18

>  <MolWeight> (102)
933.1273

>  <Cat> (102)
S3785

>  <Name> (102)
Notoginsenoside R1

>  <Synonyms> (102)
Sanchinoside R1

>  <Target> (102)
Others

>  <Form> (102)
free base

>  <CAS> (102)
80418-24-2

>  <URL> (102)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (103)
2292

>  <Formula> (103)
C21H18O12

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27740-01-8

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N/A

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Akt

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Free Base

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58066-85-6

>  <URL> (104)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

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Hydrochloride

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372196-77-5

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Perifosine (KRX-0401)

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NSC639966

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Akt

>  <Form> (113)
Free Base

>  <CAS> (113)
157716-52-4

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

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GSK1059615

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N/A

>  <Target> (114)
PI3K, mTOR

>  <Form> (114)
Free Base

>  <CAS> (114)
958852-01-2

>  <URL> (114)
http://www.selleckchem.com/products/GSK1059615.html

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>  <Synonyms> (115)
N/A 

>  <Target> (115)
mTOR, PI3K

>  <Form> (115)
Free Base

>  <CAS> (115)
1197160-78-3

>  <URL> (115)
http://www.selleckchem.com/products/pki587.html

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 10  5  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (116)
2458

>  <Formula> (116)
C25H19NO3S

>  <MolWeight> (116)
413.48826

>  <Cat> (116)
S2638

>  <Name> (116)
NU7441(KU-57788)

>  <Synonyms> (116)
N/A 

>  <Target> (116)
DNA-PK, PI3K

>  <Form> (116)
Free Base

>  <CAS> (116)
503468-95-9 

>  <URL> (116)
http://www.selleckchem.com/products/nu7441.html

$$$$
ATP disodium salt.cdx
csChFnd80/04212014572D

 33 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (117)
2461

>  <Formula> (117)
C10H14N5Na2O13P3

>  <MolWeight> (117)
551.144683

>  <Cat> (117)
S1985

>  <Name> (117)
ATP (Adenosine-Triphosphate)

>  <Synonyms> (117)
N/A 

>  <Target> (117)
Others

>  <Form> (117)
Disodium Salt

>  <CAS> (117)
987-65-5

>  <URL> (117)
http://www.selleckchem.com/products/atp-Adenosine-Triphosphate.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/04212014572D

 36 37  0  0  0  0  0  0  0  0999 V2000
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    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  1  0  0  0  0
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M  END
>  <Mol_ID> (118)
2466

>  <Formula> (118)
C23H14Na2O11

>  <MolWeight> (118)
512.3302

>  <Cat> (118)
S1911

>  <Name> (118)
Disodium Cromoglycate

>  <Synonyms> (118)
Gynazole

>  <Target> (118)
Calcium Channel

>  <Form> (118)
Disodium Salt

>  <CAS> (118)
15826-37-6

>  <URL> (118)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

$$$$
SC79.cdx
csChFnd80/04212014572D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  5  1  0  0  0  0
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 22 23  1  0  0  0  0
 16 24  1  0  0  0  0
 18 25  3  0  0  0  0
M  END
>  <Mol_ID> (119)
2495

>  <Formula> (119)
C17H17ClN2O5

>  <MolWeight> (119)
364.78028

>  <Cat> (119)
S7863

>  <Name> (119)
SC79

>  <Synonyms> (119)
N/A

>  <Target> (119)
Akt

>  <Form> (119)
Free Base

>  <CAS> (119)
305834-79-1

>  <URL> (119)
http://www.selleckchem.com/products/sc79.html

$$$$
PF-4989216.cdx
csChFnd80/04212014572D

 27 30  0  0  0  0  0  0  0  0999 V2000
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612847-09-3

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http://www.selleck.cn/products/bio-acetoxime.html

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BAY 1895344

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ATR

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hydrochloride

>  <CAS> (128)
1876467-74-1(free base)

>  <URL> (128)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
S3753 L-Leucine.cdx
csChFnd80/04212014572D

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L-Leucine

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(S)-Leucine, Leu

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Others

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free base

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61-90-5

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http://www.selleckchem.com/products/l-leucine.html

$$$$
AZD1080.cdx
csChFnd80/04212014572D

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2611

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C19H18N4O2

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334.37182

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AZD1080

>  <Synonyms> (130)
N/A

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GSK-3

>  <Form> (130)
Free Base

>  <CAS> (130)
612487-72-6

>  <URL> (130)
http://www.selleckchem.com/products/azd1080.html

$$$$
GSK2334470.cdx
csChFnd80/04212014572D

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2625

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C25H34N8O

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GSK2334470

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N/A

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PDK-1

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Free Base

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1227911-45-6

>  <URL> (131)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/04212014572D

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C24H26N4O

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TIC10 analogue

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TRAIL-inducing Compound 10

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Akt

>  <Form> (132)
Free Base

>  <CAS> (132)
41276-02-2

>  <URL> (132)
http://www.selleckchem.com/products/tic10.html

$$$$
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M  END
>  <Mol_ID> (137)
2652

>  <Formula> (137)
C23H22FN3O4S

>  <MolWeight> (137)
455.5018832

>  <Cat> (137)
S7035

>  <Name> (137)
XL388

>  <Synonyms> (137)
N/A

>  <Target> (137)
mTOR

>  <Form> (137)
Free Base

>  <CAS> (137)
1251156-08-7

>  <URL> (137)
http://www.selleckchem.com/products/xl388.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/04212014572D

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>  <Mol_ID> (138)
2654

>  <Formula> (138)
C24H27Cl2N5O

>  <MolWeight> (138)
472.41008

>  <Cat> (138)
S7306

>  <Name> (138)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (138)
BML-275,Compound C

>  <Target> (138)
AMPK

>  <Form> (138)
Dihydrochloride

>  <CAS> (138)
1219168-18-9

>  <URL> (138)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
WZ4003.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (139)
2739

>  <Formula> (139)
C25H29ClN6O3

>  <MolWeight> (139)
496.98916

>  <Cat> (139)
S7317

>  <Name> (139)
WZ4003

>  <Synonyms> (139)
N/A

>  <Target> (139)
AMPK

>  <Form> (139)
Free Base

>  <CAS> (139)
1214265-58-3

>  <URL> (139)
http://www.selleckchem.com/products/wz4003.html

$$$$
AZ20.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (140)
2749

>  <Formula> (140)
C21H24N4O3S

>  <MolWeight> (140)
412.50526

>  <Cat> (140)
S7050

>  <Name> (140)
AZ20

>  <Synonyms> (140)
N/A

>  <Target> (140)
ATM/ATR

>  <Form> (140)
Free Base

>  <CAS> (140)
1233339-22-4

>  <URL> (140)
http://www.selleckchem.com/products/az20.html

$$$$
VE-822.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (145)
2870

>  <Formula> (145)
C52H79N5O12

>  <MolWeight> (145)
966.20996

>  <Cat> (145)
S7091

>  <Name> (145)
Zotarolimus (ABT-578)

>  <Synonyms> (145)
N/A

>  <Target> (145)
mTOR

>  <Form> (145)
Free Base

>  <CAS> (145)
221877-54-9

>  <URL> (145)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (146)
2876

>  <Formula> (146)
C19H17NO3

>  <MolWeight> (146)
307.34318

>  <Cat> (146)
S7310

>  <Name> (146)
SF1670 (PTEN inhibitor)

>  <Synonyms> (146)
N/A

>  <Target> (146)
PTEN

>  <Form> (146)
Free Base

>  <CAS> (146)
345630-40-2

>  <URL> (146)
http://www.selleckchem.com/products/sf1670.html

$$$$
IM-12.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (147)
2877

>  <Formula> (147)
C22H20FN3O2

>  <MolWeight> (147)
377.4115032

>  <Cat> (147)
S7566

>  <Name> (147)
IM-12

>  <Synonyms> (147)
N/A

>  <Target> (147)
GSK-3

>  <Form> (147)
Free Base

>  <CAS> (147)
1129669-05-1

>  <URL> (147)
http://www.selleckchem.com/products/im-12.html

$$$$
VS-5584 (SB2343).cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (148)
2924

>  <Formula> (148)
C17H22N8O

>  <MolWeight> (148)
354.40958

>  <Cat> (148)
S7016

>  <Name> (148)
VS-5584 (SB2343)

>  <Synonyms> (148)
N/A

>  <Target> (148)
PI3K

>  <Form> (148)
Free Base

>  <CAS> (148)
1246560-33-7

>  <URL> (148)
http://www.selleckchem.com/products/vs-5584-sb2343.html

$$$$
Piperlongumine.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (149)
2959

>  <Formula> (149)
C17H19NO5

>  <MolWeight> (149)
317.33646

>  <Cat> (149)
S7551

>  <Name> (149)
Piperlongumine

>  <Synonyms> (149)
PPLGM

>  <Target> (149)
ROS,CRM

>  <Form> (149)
Free Base

>  <CAS> (149)
20069-09-4

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

$$$$
AT13148.cdx
csChFnd80/04212014572D

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Dorsomorphin (Compound C)

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AMPK

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Free Base

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866405-64-3

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

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AMPK

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Free Base

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1346607-05-3

>  <URL> (163)
http://www.selleckchem.com/products/gsk621.html

$$$$
Voxtalisib (XL765, SAR245409).cdx
csChFnd80/04212014572D

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C13H14N6O

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N/A

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PI3K

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Free Base

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934493-76-2

>  <URL> (164)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

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1627709-94-7

>  <URL> (165)
http://www.selleckchem.com/products/lji308.html

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Mirin.cdx
csChFnd80/04212014572D

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1198097-97-0

>  <URL> (166)
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csChFnd80/04212014572D

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142273-20-9

>  <URL> (171)
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Autophagy

>  <Form> (172)
Free Base

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1383716-40-2

>  <URL> (172)
http://www.selleckchem.com/products/pik-iii.html

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Free Base

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738606-46-7

>  <URL> (173)
http://www.selleckchem.com/products/etc-1002.html

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N/A

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>  <Mol_ID> (176)
3248

>  <Formula> (176)
C23H26N4O3

>  <MolWeight> (176)
406.47754

>  <Cat> (176)
S8322

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LY3023414

>  <Synonyms> (176)
GTPL8918

>  <Target> (176)
Akt

>  <Form> (176)
Free Base

>  <CAS> (176)
1386874-06-1

>  <URL> (176)
http://www.selleckchem.com/products/ly3023414.html

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VO-Ohpic.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (177)
3267

>  <Formula> (177)
C12H15N2O11V

>  <MolWeight> (177)
414.1958

>  <Cat> (177)
S8174

>  <Name> (177)
VO-Ohpic trihydrate

>  <Synonyms> (177)
N/A

>  <Target> (177)
Others

>  <Form> (177)
trihydrate

>  <CAS> (177)
476310-60-8

>  <URL> (177)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
AZD8835.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (178)
3277

>  <Formula> (178)
C22H31N9O3

>  <MolWeight> (178)
469.54004

>  <Cat> (178)
S7966

>  <Name> (178)
AZD8835

>  <Synonyms> (178)
N/A

>  <Target> (178)
PI3K

>  <Form> (178)
Free Base

>  <CAS> (178)
1620576-64-8

>  <URL> (178)
http://www.selleckchem.com/products/azd8835.html

$$$$
Deguelin.cdx
csChFnd80/04212014572D

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>  <Mol_ID> (179)
3291

>  <Formula> (179)
C23H22O6

>  <MolWeight> (179)
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>  <Cat> (179)
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>  <Name> (179)
Deguelin

>  <Synonyms> (179)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (179)
Akt

>  <Form> (179)
Free Base

>  <CAS> (179)
522-17-8

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

$$$$
GDC-0084.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (184)
3354

>  <Formula> (184)
C26H28N6O

>  <MolWeight> (184)
440.54012

>  <Cat> (184)
S7937

>  <Name> (184)
GSK2269557

>  <Synonyms> (184)
Nemiralisib

>  <Target> (184)
PI3K

>  <Form> (184)
Free Base

>  <CAS> (184)
1254036-71-9

>  <URL> (184)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
ARQ 092.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (185)
3366

>  <Formula> (185)
C27H25ClN6

>  <MolWeight> (185)
468.9806

>  <Cat> (185)
S8339

>  <Name> (185)
Miransertib (ARQ 092)HCl

>  <Synonyms> (185)
Miransertib

>  <Target> (185)
Akt

>  <Form> (185)
hydrochloride

>  <CAS> (185)
1313883-00-9

>  <URL> (185)
http://www.selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (186)
3368

>  <Formula> (186)
C21H25N7O

>  <MolWeight> (186)
391.4695

>  <Cat> (186)
S8456

>  <Name> (186)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (186)
N/A

>  <Target> (186)
PI3K

>  <Form> (186)
Free Base

>  <CAS> (186)
1383716-46-8

>  <URL> (186)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/04212014572D

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M  END
>  <Mol_ID> (187)
3394

>  <Formula> (187)
C19H15N3O2

>  <MolWeight> (187)
317.3413

>  <Cat> (187)
S7954

>  <Name> (187)
CP21R7 (CP21)

>  <Synonyms> (187)
N/A

>  <Target> (187)
Wnt/beta-catenin

>  <Form> (187)
Free Base

>  <CAS> (187)
125314-13-8

>  <URL> (187)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
TGR-1202.cdx
csChFnd80/04212014572D

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1943733-16-1

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free base

>  <CAS> (190)
1879887-96-3

>  <URL> (190)
http://www.selleckchem.com/products/lturm34.html

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1384071-99-1

>  <URL> (191)
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1282514-88-8

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

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FKBP1A

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free base

>  <CAS> (193)
890405-51-3

>  <URL> (193)
http://www.selleckchem.com/products/3bdo.html

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N/A

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1174428-47-7

>  <URL> (194)
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PI3K¦Ã

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1693758-51-8

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$$$$
Autophinib.cdx
csChFnd80/04212014572D

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autophagy

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free base

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1644443-47-9

>  <URL> (197)
http://www.selleckchem.com/products/autophinib.html

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N/A

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AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

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free base

>  <CAS> (198)
1467057-23-3

>  <URL> (198)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
S3614 Lupeol.cdx
csChFnd80/04212014572D

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C30H50O

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Lupeol

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

>  <Target> (199)
Others

>  <Form> (199)
free base

>  <CAS> (199)
545-47-1

>  <URL> (199)
http://www.selleckchem.com/products/lupeol.html

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C25H25N7O2

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IPI-3063

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p110¦Ä

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free base

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1425043-73-7

>  <URL> (200)
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 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (201)
3615

>  <Formula> (201)
C15H10O5

>  <MolWeight> (201)
270.2369

>  <Cat> (201)
S8696

>  <Name> (201)
2-D08
2-D08

>  <Synonyms> (201)
2',3',4'-trihydroxy flavone

>  <Target> (201)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (201)
free base

>  <CAS> (201)
144707-18-6

>  <URL> (201)
http://selleckchem.com/products/2-d08.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/04212014572D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 13 14  1  1  0  0  0
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 22 17  1  0  0  0  0
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 30 12  1  0  0  0  0
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M  END
>  <Mol_ID> (202)
3692

>  <Formula> (202)
C23H18FN5O2

>  <MolWeight> (202)
415.4197232

>  <Cat> (202)
S8672

>  <Name> (202)
Tenalisib (RP6530)

>  <Synonyms> (202)
N/A

>  <Target> (202)
PI3K

>  <Form> (202)
free base

>  <CAS> (202)
1639417-53-0

>  <URL> (202)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
Cu-CPT22.cdx
csChFnd80/04212014572D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8355    7.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10 11  2  0  0  0  0
 11  2  1  0  0  0  0
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 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (203)
3722

>  <Formula> (203)
C19H22O7

>  <MolWeight> (203)
362.37378

>  <Cat> (203)
S8677

>  <Name> (203)
Cu-CPT22

>  <Synonyms> (203)
N/A

>  <Target> (203)
TLR

>  <Form> (203)
free base

>  <CAS> (203)
1416324-85-0

>  <URL> (203)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/04212014572D

 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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M  END
>  <Mol_ID> (204)
3750

>  <Formula> (204)
C10H16N5O8P

>  <MolWeight> (204)
365.236501

>  <Cat> (204)
S5284

>  <Name> (204)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (204)
5'-Adenylic acid, 5'-AMP

>  <Target> (204)
AMPK

>  <Form> (204)
hydrate 

>  <CAS> (204)
18422-05-4

>  <URL> (204)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5313 SC66.cdx
csChFnd80/04212014572D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (205)
3772

>  <Formula> (205)
C18H16N2O

>  <MolWeight> (205)
276.33244

>  <Cat> (205)
S5313

>  <Name> (205)
SC66

>  <Synonyms> (205)
N/A

>  <Target> (205)
Akt

>  <Form> (205)
free base

>  <CAS> (205)
871361-88-5

>  <URL> (205)
http://selleckchem.com/products/sc66.html

$$$$
AZD1390.cdx
csChFnd80/04212014572D

 35 39  0  0  0  0  0  0  0  0999 V2000
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    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.0145    3.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4451    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0527    4.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1160    5.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5486    6.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7465    4.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1451    5.5282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3839    2.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 13 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 24 29  2  0  0  0  0
 23 30  1  0  0  0  0
 11 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 11  1  0  0  0  0
M  END
>  <Mol_ID> (206)
3778

>  <Formula> (206)
C27H32FN5O2

>  <MolWeight> (206)
477.5736832

>  <Cat> (206)
S8680

>  <Name> (206)
AZD1390

>  <Synonyms> (206)
N/A

>  <Target> (206)
ATM/ATR

>  <Form> (206)
free base

>  <CAS> (206)
2089288-03-7

>  <URL> (206)
http://selleckchem.com/products/azd1390.html

$$$$
bpV (HOpic).cdx
csChFnd80/04212014572D

 18 19  0  0  0  0  0  0  0  0999 V2000
   13.5013    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5013    1.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7137    1.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9261    1.7523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9261    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7137    3.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2576    1.3197    0.0000 V   0  1  0  0  0  0  0  0  0  0  0  0
   18.0805    2.4523    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.2576    3.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    4.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5740    1.2170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2973    0.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (207)
3831

>  <Formula> (207)
C6H4K2NO8V

>  <MolWeight> (207)
347.23596

>  <Cat> (207)
S8651

>  <Name> (207)
bpV (HOpic)

>  <Synonyms> (207)
Bisperoxovanadium(HOpic)

>  <Target> (207)
PTEN

>  <Form> (207)
potassium 

>  <CAS> (207)
722494-26-0

>  <URL> (207)
http://selleckchem.com/products/bpv-hopic.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/04212014572D

 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> (208)
3839

>  <Formula> (208)
C21H28O2

>  <MolWeight> (208)
312.44582

>  <Cat> (208)
S3792

>  <Name> (208)
Guggulsterone E&Z

>  <Synonyms> (208)
N/A

>  <Target> (208)
FXR

>  <Form> (208)
free base

>  <CAS> (208)
95975-55-6

>  <URL> (208)
http://selleckchem.com/products/guggulsterone.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/04212014572D

 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> (209)
3899

>  <Formula> (209)
C22H42O2

>  <MolWeight> (209)
338.56768

>  <Cat> (209)
S5383

>  <Name> (209)
Erucic acid

>  <Synonyms> (209)
cis-13-docosenoic acid

>  <Target> (209)
Others

>  <Form> (209)
free base

>  <CAS> (209)
112-86-7

>  <URL> (209)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/04212014572D

 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> (210)
3924

>  <Formula> (210)
C8H6BrN

>  <MolWeight> (210)
196.04394

>  <Cat> (210)
S5439

>  <Name> (210)
5-Bromoindole

>  <Synonyms> (210)
N/A

>  <Target> (210)
GSK-3

>  <Form> (210)
free base

>  <CAS> (210)
10075-50-0

>  <URL> (210)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/04212014572D

 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
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   15.8414    4.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (211)
3934

>  <Formula> (211)
C20H20O4

>  <MolWeight> (211)
324.3704

>  <Cat> (211)
S5456

>  <Name> (211)
Isobavachalcone

>  <Synonyms> (211)
Corylifolinin

>  <Target> (211)
Anti-infection

>  <Form> (211)
free base

>  <CAS> (211)
20784-50-3

>  <URL> (211)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5265 TBB.cdx
csChFnd80/04212014572D

 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
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    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
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    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
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  6  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
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 12  5  1  0  0  0  0
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  7  8  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <Mol_ID> (212)
4042

>  <Formula> (212)
C6HBr4N3

>  <MolWeight> (212)
434.70824

>  <Cat> (212)
S5265

>  <Name> (212)
TBB

>  <Synonyms> (212)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (212)
Casein Kinase

>  <CAS> (212)
17374-26-4

>  <URL> (212)
http://selleckchem.com/products/tbb.html

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/04212014572D

 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
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    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
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    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
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 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (213)
4098

>  <Formula> (213)
C9H10O5

>  <MolWeight> (213)
198.1727

>  <Cat> (213)
S5550

>  <Name> (213)
Ethyl gallate

>  <Synonyms> (213)
N/A

>  <Target> (213)
NF-¦ÊB

>  <CAS> (213)
831-61-8

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

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/04212014572D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4329    2.0759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6508    2.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.2146    4.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    7.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  1  0  0  0
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  8 14  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (214)
4141

>  <Formula> (214)
C15H24N2O2

>  <MolWeight> (214)
264.36326

>  <Cat> (214)
S9384

>  <Name> (214)
Sophocarpine Monohydrate

>  <Form> (214)
free base

>  <CAS> (214)
 145572-44-7

$$$$
S9413 Yangonin.cdx
csChFnd80/04212014572D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.4874    2.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874    4.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7108    2.0911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0625    2.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    4.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7111    6.2915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250    2.0848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2110    0.0008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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 10 13  1  0  0  0  0
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 13 15  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (215)
4163

>  <Formula> (215)
C15H14O4

>  <MolWeight> (215)
258.26926

>  <Cat> (215)
S9413

>  <Name> (215)
Yangonin

>  <Form> (215)
free base

>  <CAS> (215)
500-62-9

$$$$
S9417 Homoplantaginin.cdx
csChFnd80/04212014572D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.4869    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  2  0  0  0  0
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 17 20  1  0  0  0  0
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 10 21  1  0  0  0  0
 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (216)
4166

>  <Formula> (216)
C22H22O11

>  <MolWeight> (216)
462.40348

>  <Cat> (216)
S9417

>  <Name> (216)
Homoplantaginin

>  <Form> (216)
free base

>  <CAS> (216)
17680-84-1

$$$$
S9438 Isosakuranetin.cdx
csChFnd80/04212014572D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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  4 10  1  0  0  0  0
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 13 15  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (217)
4184

>  <Formula> (217)
C16H14O5

>  <MolWeight> (217)
286.27936

>  <Cat> (217)
S9438

>  <Name> (217)
Isosakuranetin

>  <Form> (217)
free base

>  <CAS> (217)
480-43-3

$$$$

csChFnd80/04212014572D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 10 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (218)
4262

>  <Formula> (218)
C24H28N4O3

>  <MolWeight> (218)
420.50412

>  <Cat> (218)
S8556

>  <Name> (218)
AZ31

>  <Synonyms> (218)
N/A

>  <Target> (218)
ATM/ATR

>  <Form> (218)
Free Base

>  <CAS> (218)
2088113-98-6

>  <URL> (218)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/04212014572D

 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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 27 28  2  0  0  0  0
 28 21  1  0  0  0  0
 12 29  2  0  0  0  0
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 32 33  2  0  0  0  0
 33 12  1  0  0  0  0
 30 34  1  0  0  0  0
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 14 16  1  0  0  0  0
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M  END
>  <Mol_ID> (219)
4263

>  <Formula> (219)
C23H14ClF3N6O

>  <MolWeight> (219)
482.8450696

>  <Cat> (219)
S8560

>  <Name> (219)
Seletalisib (UCB-5857)

>  <Synonyms> (219)
N/A

>  <Target> (219)
PI3K

>  <Form> (219)
Free Base

>  <CAS> (219)
1362850-20-1

>  <URL> (219)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/04212014572D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 12 31  1  0  0  0  0
M  END
>  <Mol_ID> (220)
4267

>  <Formula> (220)
C24H18ClN3O3

>  <MolWeight> (220)
431.87102

>  <Cat> (220)
S8654

>  <Name> (220)
ex229 (compound 991)

>  <Synonyms> (220)
N/A

>  <Target> (220)
AMPK

>  <Form> (220)
Free Base

>  <CAS> (220)
1219739-36-2

>  <URL> (220)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/04212014572D

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 14  9  1  0  0  0  0
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 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (221)
4277

>  <Formula> (221)
C17H20F3N7O2

>  <MolWeight> (221)
411.3816096

>  <Cat> (221)
S8738

>  <Name> (221)
Bimiralisib (PQR309)

>  <Synonyms> (221)
N/A

>  <Target> (221)
PI3K

>  <Form> (221)
Free Base

>  <CAS> (221)
1225037-39-7

>  <URL> (221)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/04212014572D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4938    3.7834    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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 28 29  1  0  0  0  0
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M  END
>  <Mol_ID> (222)
4283

>  <Formula> (222)
C21H25F3N6O2

>  <MolWeight> (222)
450.4574096

>  <Cat> (222)
S8752

>  <Name> (222)
leniolisib(CDZ 173)

>  <Synonyms> (222)
N/A

>  <Target> (222)
PI3K

>  <Form> (222)
Free Base

>  <CAS> (222)
1354690-24-6

>  <URL> (222)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/04212014572D

 36 41  0  0  0  0  0  0  0  0999 V2000
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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
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  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
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 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
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 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
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 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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 35 30  1  0  0  0  0
 14 36  1  0  0  0  0
M  END
>  <Mol_ID> (223)
4290

>  <Formula> (223)
C26H23FN8O

>  <MolWeight> (223)
482.5122232

>  <Cat> (223)
S8764

>  <Name> (223)
IITZ-01

>  <Synonyms> (223)
N/A

>  <Target> (223)
Autophagy

>  <Form> (223)
Free Base

>  <CAS> (223)
1807988-47-1

>  <URL> (223)
http://www.selleckchem.com/products/iitz-01.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/04212014572D

 46 50  0  0  0  0  0  0  0  0999 V2000
   12.1266    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9159    8.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  1  0  0  0
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  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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M  END
>  <Mol_ID> (224)
4304

>  <Formula> (224)
C38H46O8

>  <MolWeight> (224)
630.76704

>  <Cat> (224)
S9031

>  <Name> (224)
Gambogenic acid

>  <Form> (224)
free base

>  <CAS> (224)
173932-75-7

$$$$
S9061 Hydroxy safflor yellow A.cdx
csChFnd80/04212014572D

 43 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (225)
4323

>  <Formula> (225)
C27H32O16

>  <MolWeight> (225)
612.53338

>  <Cat> (225)
S9061

>  <Name> (225)
Hydroxy safflor yellow A

>  <Form> (225)
free base

>  <CAS> (225)
78281-02-4

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/04212014572D

 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> (226)
4341

>  <Formula> (226)
C21H20O6

>  <MolWeight> (226)
368.3799

>  <Cat> (226)
S9080

>  <Name> (226)
Anhydroicaritin

>  <Form> (226)
free base

>  <CAS> (226)
118525-40-9

$$$$
S9092 Norisoboldine.cdx
csChFnd80/04212014572D

 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
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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
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 10  5  1  0  0  0  0
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 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
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 17  9  1  0  0  0  0
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M  END
>  <Mol_ID> (227)
4353

>  <Formula> (227)
C18H19NO4

>  <MolWeight> (227)
313.34776

>  <Cat> (227)
S9092

>  <Name> (227)
Norisoboldine

>  <Form> (227)
free base

>  <CAS> (227)
23599-69-1

$$$$
S9093 Nardosinone.cdx
csChFnd80/04212014572D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (228)
4354

>  <Formula> (228)
C15H22O3

>  <MolWeight> (228)
250.33338

>  <Cat> (228)
S9093

>  <Name> (228)
Nardosinone

>  <Form> (228)
free base

>  <CAS> (228)
23720-80-1

$$$$
S9111 Isorhamnetin.cdx
csChFnd80/04212014572D

 23 25  0  0  0  0  0  0  0  0999 V2000
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$$$$
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Polyphyllin I

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>  <CAS> (230)
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$$$$
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$$$$
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free base

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478-61-5

$$$$
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csChFnd80/04212014572D

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S9172

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Phellodendrine

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free base

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6873-13-8

$$$$
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csChFnd80/04212014572D

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Ruscogenin

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free base

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472-11-7

$$$$

csChFnd80/04212014572D

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>  <MolWeight> (235)
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>  <Cat> (235)
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Indirubin-3'-oxime

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CDK

>  <Form> (235)
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160807-49-8

>  <URL> (235)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$
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csChFnd80/04212014572D

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31008-19-2

$$$$
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csChFnd80/04212014572D

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4510

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C21H22O9

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>  <CAS> (237)
5041-81-6

$$$$
S9301 Verbenalin.cdx
csChFnd80/04212014572D

 30 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (238)
4516

>  <Formula> (238)
C17H24O10

>  <MolWeight> (238)
388.36646

>  <Cat> (238)
S9301

>  <Name> (238)
Verbenalin

>  <Form> (238)
free base

>  <CAS> (238)
548-37-8

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/04212014572D

 19 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (239)
4525

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>  <MolWeight> (239)
232.3181

>  <Cat> (239)
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Atractylenolide II

>  <Form> (239)
free base

>  <CAS> (239)
73069-14-4

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/04212014572D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (240)
4526

>  <Formula> (240)
C21H22O7

>  <MolWeight> (240)
386.39518

>  <Cat> (240)
S9315

>  <Name> (240)
Praeruptorin A

>  <Form> (240)
free base

>  <CAS> (240)
73069-25-7

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/04212014572D

 63 66  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (241)
4684

>  <Formula> (241)
C43H44ClFN4O11S3

>  <MolWeight> (241)
943.4760632

>  <Cat> (241)
S5241

>  <Name> (241)
Lapatinib ditosylate monohydrate

>  <Synonyms> (241)
Tykerb Ditosylate

>  <Target> (241)
Others

>  <Form> (241)
ditosylate monohydrate

>  <CAS> (241)
388082-78-8

>  <URL> (241)
http://selleckchem.com/products/.html

$$$$

csChFnd80/04212014572D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (242)
4864

>  <Formula> (242)
C21H16FN7O

>  <MolWeight> (242)
401.3964432

>  <Cat> (242)
S5818

>  <Name> (242)
acalisib (GS-9820)

>  <Synonyms> (242)
CAL-120

>  <Target> (242)
PI3K

>  <Form> (242)
Free Base

>  <CAS> (242)
870281-34-8

>  <URL> (242)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/04212014572D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (243)
4887

>  <Formula> (243)
C27H19ClN2O3

>  <MolWeight> (243)
454.90436

>  <Cat> (243)
S8803

>  <Name> (243)
MK-3903

>  <Synonyms> (243)
N/A

>  <Target> (243)
AMPK

>  <Form> (243)
Free Base

>  <CAS> (243)
1219737-12-8

>  <URL> (243)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/04212014572D

 44 48  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
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  4  9  2  0  0  0  0
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  1 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
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 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
  7 21  1  0  0  0  0
  5 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 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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 23 25  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
>  <Mol_ID> (244)
4901

>  <Formula> (244)
C28H32O16

>  <MolWeight> (244)
624.54408

>  <Cat> (244)
S9455

>  <Name> (244)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (244)
N/A

>  <Target> (244)
Others

>  <Form> (244)
Free Base

>  <CAS> (244)
55033-90-4

>  <URL> (244)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/04212014572D

 12 12  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
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  6  9  2  0  0  0  0
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 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (245)
5003

>  <Formula> (245)
C10H10O2

>  <MolWeight> (245)
162.1852

>  <Cat> (245)
S6221

>  <Name> (245)
Methyl cinnamate

>  <Synonyms> (245)
N/A

>  <Target> (245)
Others

>  <Form> (245)
free base

>  <CAS> (245)
103-26-4

>  <URL> (245)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/04212014572D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 12  4  1  0  0  0  0
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 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
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 13  8  2  0  0  0  0
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 23 10  2  0  0  0  0
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 18 12  1  0  0  0  0
 16 13  1  0  0  0  0
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 28 14  2  0  0  0  0
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 26 16  1  0  0  0  0
 17 18  1  0  0  0  0
 29 19  1  0  0  0  0
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 31 28  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (246)
5340

>  <Formula> (246)
C23H26N6O2

>  <MolWeight> (246)
418.49154

>  <Cat> (246)
S6414

>  <Name> (246)
Apilimod

>  <Synonyms> (246)
STA-5326

>  <Target> (246)
PI3K

>  <Form> (246)
Free Base

>  <CAS> (246)
541550-19-0

>  <URL> (246)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/04212014572D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 22  7  2  0  0  0  0
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 31 26  1  0  0  0  0
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M  END
>  <Mol_ID> (247)
5406

>  <Formula> (247)
C23H20FN7O

>  <MolWeight> (247)
429.4496032

>  <Cat> (247)
S8693

>  <Name> (247)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (247)
N/A

>  <Target> (247)
PI3K

>  <Form> (247)
Free Base

>  <CAS> (247)
2088525-31-7

>  <URL> (247)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/04212014572D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (248)
6690

>  <Formula> (248)
C22H19ClN2O6S

>  <MolWeight> (248)
474.91406

>  <Cat> (248)
S6503

>  <Name> (248)
LX2343

>  <Synonyms> (248)
N/A

>  <Target> (248)
BACE

>  <Form> (248)
free base

>  <CAS> (248)
333745-53-2

>  <URL> (248)
http://www.selleck.cn/products/lx2343.html

$$$$

csChFnd80/04212014572D

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M  END
>  <Mol_ID> (249)
6691

>  <Formula> (249)
C15H14N4O2

>  <MolWeight> (249)
282.29726

>  <Cat> (249)
S6504

>  <Name> (249)
BX517

>  <Synonyms> (249)
N/A

>  <Target> (249)
PDK

>  <Form> (249)
free base

>  <CAS> (249)
850717-64-5

>  <URL> (249)
http://www.selleck.cn/products/bx517.html

$$$$

csChFnd80/04212014572D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 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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M  END
>  <Mol_ID> (250)
6693

>  <Formula> (250)
C16H15N3O2

>  <MolWeight> (250)
281.3092

>  <Cat> (250)
S6506

>  <Name> (250)
Compound 401

>  <Synonyms> (250)
N/A

>  <Target> (250)
DNA-PK

>  <Form> (250)
free base

>  <CAS> (250)
168425-64-7

>  <URL> (250)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/04212014572D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (251)
6701

>  <Formula> (251)
C21H28N8O3S2

>  <MolWeight> (251)
504.62882

>  <Cat> (251)
S6516

>  <Name> (251)
GNE-477

>  <Synonyms> (251)
N/A

>  <Target> (251)
PI3K

>  <Form> (251)
free base

>  <CAS> (251)
1032754-81-6

>  <URL> (251)
http://www.selleck.cn/products/gne-477.html

$$$$

csChFnd80/04212014572D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (252)
6715

>  <Formula> (252)
C16H14N2O2S2

>  <MolWeight> (252)
330.42456

>  <Cat> (252)
S6536

>  <Name> (252)
TTP 22

>  <Synonyms> (252)
N/A

>  <Target> (252)
Casein Kinase

>  <Form> (252)
free base

>  <CAS> (252)
329907-28-0

>  <URL> (252)
http://www.selleck.cn/products/ttp-22.html

$$$$

csChFnd80/04212014572D

 38 42  0  0  0  0  0  0  0  0999 V2000
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1513879-21-4

>  <URL> (255)
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38136-70-8

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N/A

>  <Target> (258)
Akt

>  <Form> (258)
Free Base

>  <CAS> (258)
1800070-77-2

>  <URL> (258)
http://www.selleck.cn/products/borussertib.html

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csChFnd80/04212014572D

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>  <Target> (259)
DNA-PK

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>  <CAS> (259)
2230820-11-6

>  <URL> (259)
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>  <MolWeight> (260)
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>  <Cat> (260)
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>  <CAS> (260)
1402608-02-9

>  <URL> (260)
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6952

>  <Formula> (261)
C33H40O18

>  <MolWeight> (261)
724.6599

>  <Cat> (261)
S9096

>  <Name> (261)
ligustroflavone

>  <Synonyms> (261)
Nuezhenoside

>  <Target> (261)
AMPK

>  <Form> (261)
Free Base

>  <CAS> (261)
260413-62-5

>  <URL> (261)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/04212014572D

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>  <Mol_ID> (262)
6964

>  <Formula> (262)
C17H15NO3

>  <MolWeight> (262)
281.3059

>  <Cat> (262)
S2272

>  <Name> (262)
Indoprofen

>  <Synonyms> (262)
N/A

>  <Target> (262)
PDK

>  <Form> (262)
Free Base

>  <CAS> (262)
31842-01-0

>  <URL> (262)
http://www.selleck.cn/products/indoprofen.html

$$$$
