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azd6244.cdx
csChFnd80/03022213362D

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CI1040.cdx
csChFnd80/03022213362D

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>  <URL> (3)
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untitled.cdx
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Deforolimus (MK-8669) 

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>  <Target> (4)
mTOR

>  <Form> (4)
Free Base

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572924-54-0

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

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C21H23N3O2

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Panobinostat (LBH589)

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N/A 

>  <Target> (5)
HDAC 

>  <Form> (5)
Free Base

>  <CAS> (5)
404950-80-7

>  <URL> (5)
http://www.selleckchem.com/products/LBH-589.html

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

>  <Target> (6)
MEK 

>  <Form> (6)
Free Base

>  <CAS> (6)
391210-10-9

>  <URL> (6)
http://www.selleckchem.com/products/PD-0325901.html

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25

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C18H20N2O3

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AR-42 (HDAC-42)

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>  <Target> (7)
HDAC 

>  <Form> (7)
Free Base

>  <CAS> (7)
935881-37-1

>  <URL> (7)
http://www.selleckchem.com/products/AR-42-HDAC-42.html

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>  <Formula> (8)
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>  <Synonyms> (8)
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>  <Target> (8)
DNA-PK, PI3K, mTOR

>  <Form> (8)
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>  <CAS> (8)
371935-74-9

>  <URL> (8)
http://www.selleckchem.com/products/PI-103.html

$$$$
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>  <Mol_ID> (9)
27

>  <Formula> (9)
C51H79NO13

>  <MolWeight> (9)
914.17186

>  <Cat> (9)
S1039

>  <Name> (9)
Rapamycin (Sirolimus)

>  <Synonyms> (9)
N/A 

>  <Target> (9)
mTOR 

>  <Form> (9)
Free Base

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

>  <URL> (9)
http://www.selleckchem.com/products/Rapamycin.html

$$$$

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>  <Mol_ID> (10)
28

>  <Formula> (10)
C28H24ClF3N4O6S

>  <MolWeight> (10)
637.0265696

>  <Cat> (10)
S1040

>  <Name> (10)
Sorafenib Tosylate

>  <Synonyms> (10)
Bay 43-9006 

>  <Target> (10)
VEGFR, PDGFR, Raf

>  <Form> (10)
Tosylate

>  <CAS> (10)
475207-59-1

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

$$$$
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>  <Mol_ID> (11)
29

>  <Formula> (11)
C15H13N3S

>  <MolWeight> (11)
267.34882

>  <Cat> (11)
S1041

>  <Name> (11)
STF-62247

>  <Synonyms> (11)
N/A

>  <Target> (11)
Others

>  <Form> (11)
Free Base

>  <CAS> (11)
315702-99-9

>  <URL> (11)
http://www.selleckchem.com/products/STF-62247.html

$$$$
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>  <Mol_ID> (12)
31

>  <Formula> (12)
C14H20N2O3

>  <MolWeight> (12)
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>  <Cat> (12)
S1047

>  <Name> (12)
Vorinostat (SAHA, MK0683)

>  <Synonyms> (12)
SAHA, MK0683, suberoylanilide hydroxamic acid

>  <Target> (12)
HDAC

>  <Form> (12)
Free Base

>  <CAS> (12)
149647-78-9

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

$$$$
untitled.cdx
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>  <Mol_ID> (13)
35

>  <Formula> (13)
C21H20N4O3

>  <MolWeight> (13)
376.4085

>  <Cat> (13)
S1053

>  <Name> (13)
Entinostat (MS-275, SNDX-275)

>  <Synonyms> (13)
SNDX-275

>  <Target> (13)
HDAC 

>  <Form> (13)
Free Base

>  <CAS> (13)
209783-80-2

>  <URL> (13)
http://www.selleckchem.com/products/MS-275.html

$$$$
untitled.cdx
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>  <Mol_ID> (14)
36

>  <Formula> (14)
C32H29N5O2

>  <MolWeight> (14)
515.60496

>  <Cat> (14)
S1055

>  <Name> (14)
Enzastaurin (LY317615)

>  <Synonyms> (14)
N/A 

>  <Target> (14)
PKC 

>  <Form> (14)
Free Base

>  <CAS> (14)
170364-57-5

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

$$$$
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>  <Mol_ID> (15)
38

>  <Formula> (15)
C24H23FN4O3

>  <MolWeight> (15)
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>  <Cat> (15)
S1060

>  <Name> (15)
Olaparib (AZD2281, Ku-0059436)

>  <Synonyms> (15)
KU-0059436 

>  <Target> (15)
PARP 

>  <Form> (15)
Free Base

>  <CAS> (15)
763113-22-0

>  <URL> (15)
http://www.selleckchem.com/products/AZD2281(Olaparib).html

$$$$
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957054-30-7

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http://www.selleckchem.com/products/GDC-0941.html

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475110-96-4

>  <URL> (17)
http://www.selleckchem.com/products/ZSTK474.html

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N/A

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GSK-3 

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Free Base

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280744-09-4

>  <URL> (18)
http://www.selleckchem.com/products/SB-216763.html

$$$$
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>  <Mol_ID> (19)
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C21H16FN3OS

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N/A

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p38 MAPK 

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Free Base

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152121-47-6

>  <URL> (19)
http://www.selleckchem.com/products/SB-203580.html

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>  <Mol_ID> (20)
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>  <Target> (20)
p38 MAPK 

>  <Form> (20)
Free Base

>  <CAS> (20)
152121-30-7

>  <URL> (20)
http://www.selleckchem.com/products/SB-202190.html

$$$$

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C25H23Cl2N5O

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MK-2206 dihydrochloride

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N/A

>  <Target> (21)
Akt

>  <Form> (21)
Dihydrochloride

>  <CAS> (21)
1032350-13-2

>  <URL> (21)
http://www.selleckchem.com/products/MK-2206.html

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>  <Mol_ID> (22)
52

>  <Formula> (22)
C15H14N2O4S

>  <MolWeight> (22)
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S1085

>  <Name> (22)
Belinostat (PXD101)

>  <Synonyms> (22)
N/A 

>  <Target> (22)
HDAC 

>  <Form> (22)
Free Base

>  <CAS> (22)
414864-00-9

>  <URL> (22)
http://www.selleckchem.com/products/Belinostat.html

$$$$
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>  <Mol_ID> (23)
53

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C7H5IN2O3

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S1087

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Iniparib (BSI-201)

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SAR240550 

>  <Target> (23)
PARP 

>  <Form> (23)
Free Base

>  <CAS> (23)
160003-66-7

>  <URL> (23)
http://www.selleckchem.com/products/BSI-201.html

$$$$
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>  <Mol_ID> (24)
55

>  <Formula> (24)
C21H23N3O5

>  <MolWeight> (24)
397.42442

>  <Cat> (24)
S1090

>  <Name> (24)
Abexinostat (PCI-24781)

>  <Synonyms> (24)
CRA-024781

>  <Target> (24)
HDAC 

>  <Form> (24)
Free Base

>  <CAS> (24)
783355-60-2

>  <URL> (24)
http://www.selleckchem.com/products/PCI-24781.html

$$$$
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>  <Mol_ID> (25)
56

>  <Formula> (25)
C21H17NO3S2

>  <MolWeight> (25)
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>  <Cat> (25)
S1092

>  <Name> (25)
KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (25)
N/A

>  <Target> (25)
ATM 

>  <Form> (25)
Free Base

>  <CAS> (25)
587871-26-9

>  <URL> (25)
http://www.selleckchem.com/products/KU-55933.html

$$$$
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HDAC 

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Free Base

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404951-53-7

>  <URL> (26)
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AG-014447 

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PARP 

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Phosphate

>  <CAS> (27)
459868-92-9

>  <URL> (27)
http://www.selleckchem.com/products/AG-014699.html

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GDC-0879

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Raf

>  <Form> (28)
Free Base

>  <CAS> (28)
905281-76-7

>  <URL> (28)
http://www.selleckchem.com/products/GDC-0879.html

$$$$
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LY294002

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>  <Target> (29)
PI3K 

>  <Form> (29)
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>  <CAS> (29)
154447-36-6

>  <URL> (29)
http://www.selleckchem.com/products/LY294002.html

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67

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AR-12 

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PDK-1

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Free Base

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742112-33-0

>  <URL> (30)
http://www.selleckchem.com/products/OSU-03012.html

$$$$
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>  <Mol_ID> (31)
68

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C20H22N6OS2

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U0126-EtOH

>  <Synonyms> (31)
N/A

>  <Target> (31)
MEK

>  <Form> (31)
Ethanolate

>  <CAS> (31)
1173097-76-1

>  <URL> (31)
http://www.selleckchem.com/products/U0126.html

$$$$
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csChFnd80/03022213362D

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>  <Mol_ID> (32)
74

>  <Formula> (32)
C53H83NO14

>  <MolWeight> (32)
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>  <Cat> (32)
S1120

>  <Name> (32)
Everolimus (RAD001)

>  <Synonyms> (32)
Certican, Zortress, Afinitor

>  <Target> (32)
mTOR

>  <Form> (32)
Free Base

>  <CAS> (32)
159351-69-6

>  <URL> (32)
http://www.selleckchem.com/products/Everolimus(RAD001).html

$$$$
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$$$$
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csChFnd80/03022213362D

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N/A

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HDAC, EGFR, HER2

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Free Base

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1012054-59-9

>  <URL> (39)
http://www.selleckchem.com/products/CUDC-101.html

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csChFnd80/03022213362D

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C25H31N5O4

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>  <Synonyms> (40)
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mTOR 

>  <Form> (40)
Free Base

>  <CAS> (40)
938440-64-3

>  <URL> (40)
http://www.selleckchem.com/products/KU-0063794.html

$$$$
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>  <Mol_ID> (41)
140

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C19H26O3

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2-Methoxyestradiol

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2-ME2

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HIF

>  <Form> (41)
Free Base

>  <CAS> (41)
362-07-2

>  <URL> (41)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
WYE-354.cdx
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mTOR 

>  <Form> (42)
Free Base

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1062169-56-5

>  <URL> (42)
http://www.selleckchem.com/products/WYE-354.html

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Raf 

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918504-65-1

>  <URL> (43)
http://www.selleckchem.com/products/PLX-4032.html

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227

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TG100-115

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N/A

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PI3K

>  <Form> (44)
Free Base

>  <CAS> (44)
677297-51-7

>  <URL> (44)
http://www.selleckchem.com/products/TG100-115.html

$$$$
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PI3K/Akt/mTOR

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>  <CAS> (45)
252917-06-9 (free base)

>  <URL> (45)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

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N/A

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HDAC 

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>  <CAS> (46)
99873-43-5

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

$$$$
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857531-00-1

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391210-00-7 

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http://www.selleckchem.com/products/PD318088.html

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925701-49-1

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285983-48-4

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$$$$
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    3.6373    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    3.0851    0.0000 H   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (65)
374

>  <Formula> (65)
C5H9NO3S

>  <MolWeight> (65)
163.19486

>  <Cat> (65)
S1623

>  <Name> (65)
Acetylcysteine

>  <Synonyms> (65)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (65)
AChR

>  <Form> (65)
Free Base

>  <CAS> (65)
616-91-1

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

$$$$
ALLOPURINOL (allopurinol).cdx
csChFnd80/03022213362D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    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  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  5  2  0  0  0  0
  6 10  2  0  0  0  0
M  END
>  <Mol_ID> (66)
380

>  <Formula> (66)
C5H4N4O

>  <MolWeight> (66)
136.11146

>  <Cat> (66)
S1630

>  <Name> (66)
Allopurinol (Zyloprim)

>  <Synonyms> (66)
Aloprim

>  <Target> (66)
Others

>  <Form> (66)
Free Base

>  <CAS> (66)
315-30-0

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

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/03022213362D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7834    3.2220    0.0000 Na  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  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (67)
381

>  <Formula> (67)
C5H4N4NaO+

>  <MolWeight> (67)
159.10123

>  <Cat> (67)
S1631

>  <Name> (67)
Allopurinol Sodium (Aloprim)

>  <Synonyms> (67)
 Lopurin, Zyloprim, Aloprim

>  <Target> (67)
Others

>  <Form> (67)
Sodium Salt

>  <CAS> (67)
17795-21-0

>  <URL> (67)
http://www.selleckchem.com/products/Allopurinol-Sodium(Aloprim).html

$$$$
Artesunate.cdx
csChFnd80/03022213362D

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.5918    3.4838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2242    3.1843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7998    1.8501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7430    0.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1106    1.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5350    2.4491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2103    4.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6140    6.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2519    6.3299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1497    5.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1374    4.0667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9903    3.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9026    2.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7698    3.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3454    2.4331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2886    1.3985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7352    0.4516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1951    5.2953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2589    4.1274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9535    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9586    4.8220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9778    2.1336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6102    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1873    0.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6703    2.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3027    2.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    4.9261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  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
 11  2  1  0  0  0  0
  1 12  1  6  0  0  0
  6 13  1  6  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
  3 17  1  6  0  0  0
  9 18  1  0  0  0  0
  2 19  1  6  0  0  0
 18 19  1  0  0  0  0
  9 20  1  1  0  0  0
 11 21  1  1  0  0  0
 16 22  1  1  0  0  0
 15 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 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
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (68)
391

>  <Formula> (68)
C19H28O8

>  <MolWeight> (68)
384.42082

>  <Cat> (68)
S2265

>  <Name> (68)
Artesunate

>  <Synonyms> (68)
N/A

>  <Target> (68)
STAT

>  <Form> (68)
Free Base

>  <CAS> (68)
88495-63-0

>  <URL> (68)
http://www.selleckchem.com/products/Artesunate.html

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/03022213362D

 21 18  0  0  0  0  0  0  0  0999 V2000
    2.7976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   16.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   13.2726    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5107    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.8951   15.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   13.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   15.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4639   16.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4615   11.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (69)
422

>  <Formula> (69)
C16H31NaO4

>  <MolWeight> (69)
310.40471

>  <Cat> (69)
S1703

>  <Name> (69)
Divalproex sodium

>  <Synonyms> (69)
Depakote, Epival

>  <Target> (69)
HDAC

>  <Form> (69)
Sodium Salt

>  <CAS> (69)
76584-70-8

>  <URL> (69)
http://www.selleckchem.com/products/Divalproex-sodium.html

$$$$
Tangeretin.cdx
csChFnd80/03022213362D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.5605    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6185    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6185    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4640    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 21  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (70)
507

>  <Formula> (70)
C20H20O7

>  <MolWeight> (70)
372.3686

>  <Cat> (70)
S2363

>  <Name> (70)
Tangeretin (Tangeritin)

>  <Synonyms> (70)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (70)
ROS

>  <Form> (70)
Free Base

>  <CAS> (70)
481-53-8

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

$$$$
Indirubin.cdx
csChFnd80/03022213362D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Free Base

>  <CAS> (71)
479-41-4 

>  <URL> (71)
http://www.selleckchem.com/products/Indirubin.html

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Raf 

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Free Base

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878739-06-1

>  <URL> (72)
http://www.selleckchem.com/products/az628.html

$$$$
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550

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N/A

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GSK-3

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Free Base

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252935-94-7

>  <URL> (73)
http://www.selleckchem.com/products/chir-98014.html

$$$$
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NVP-BGT226

>  <Synonyms> (74)
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>  <Target> (74)
PI3K, mTOR

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Maleate

>  <CAS> (74)
1245537-68-1

>  <URL> (74)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
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618

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C19H22F3N5O2S

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S2814

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Alpelisib (BYL719)

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N/A 

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PI3K

>  <Form> (87)
Free Base

>  <CAS> (87)
1217486-61-7

>  <URL> (87)
http://www.selleckchem.com/products/byl719.html

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CI994.cdx
csChFnd80/03022213362D

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CI994 (Tacedinaline)

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PD-123654 

>  <Target> (88)
HDAC

>  <Form> (88)
Free Base

>  <CAS> (88)
112522-64-2

>  <URL> (88)
http://www.selleckchem.com/products/ci994-tacedinaline.html

$$$$
Quercetin.cdx
csChFnd80/03022213362D

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625

>  <Formula> (89)
C15H10O7

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302.2357

>  <Cat> (89)
S2391

>  <Name> (89)
Quercetin (Sophoretin)

>  <Synonyms> (89)
Meletin, Quercetine

>  <Target> (89)
PI3K, PKC, Src, Sirtuin

>  <Form> (89)
Free Base

>  <CAS> (89)
117-39-5

>  <URL> (89)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
AZD8330.cdx
csChFnd80/03022213362D

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642

>  <Formula> (90)
C16H17FIN3O4

>  <MolWeight> (90)
461.2267532

>  <Cat> (90)
S2134

>  <Name> (90)
AZD8330

>  <Synonyms> (90)
N/A 

>  <Target> (90)
MEK

>  <Form> (90)
Free Base

>  <CAS> (90)
869357-68-6

>  <URL> (90)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

$$$$
raf265.cdx
csChFnd80/03022213362D

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C24H16F6N6O

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>  <Name> (91)
RAF265 (CHIR-265)

>  <Synonyms> (91)
N/A 

>  <Target> (91)
Raf, VEGFR

>  <Form> (91)
Free Base

>  <CAS> (91)
927880-90-8

>  <URL> (91)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

$$$$

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ITF2357 (Givinostat)

>  <Synonyms> (92)
N/A 

>  <Target> (92)
HDAC 

>  <Form> (92)
Chloride

>  <CAS> (92)
732302-99-7

>  <URL> (92)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

$$$$
Daphnetin.cdx
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658

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>  <Synonyms> (93)
N/A 

>  <Target> (93)
DNA/RNA Synthesis

>  <Form> (93)
Free Base

>  <CAS> (93)
486-35-1

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

$$$$
AG14361.cdx
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>  <Mol_ID> (94)
660

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C19H20N4O

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AG14361

>  <Synonyms> (94)
N/A

>  <Target> (94)
PARP

>  <Form> (94)
Free Base

>  <CAS> (94)
328543-09-5

>  <URL> (94)
http://www.selleckchem.com/products/AG14361.html

$$$$
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678

>  <Formula> (95)
C26H20F3N7O

>  <MolWeight> (95)
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>  <Cat> (95)
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>  <Name> (95)
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>  <Synonyms> (95)
N/A

>  <Target> (95)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (95)
Free Base

>  <CAS> (95)
940310-85-0

>  <URL> (95)
http://www.selleckchem.com/products/NVP-BHG712.html

$$$$
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>  <Mol_ID> (96)
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Free Base

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900185-01-5 

>  <URL> (96)
http://www.selleckchem.com/products/PIK-293.html

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TORKinib 

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mTOR

>  <Form> (97)
Free Base

>  <CAS> (97)
1092351-67-1

>  <URL> (97)
http://www.selleckchem.com/products/PP242.html

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688

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C27H27N5O2

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S2220

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SB590885

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GSK2118436 

>  <Target> (98)
Raf

>  <Form> (98)
Free Base

>  <CAS> (98)
405554-55-4 

>  <URL> (98)
http://www.selleckchem.com/products/SB590885.html

$$$$
Andrographolide.cdx
csChFnd80/03022213362D

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695

>  <Formula> (99)
C20H30O5

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Andrographolide

>  <Synonyms> (99)
N/A

>  <Target> (99)
NF-¦ÊB

>  <Form> (99)
Free Base

>  <CAS> (99)
5508-58-7

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

$$$$
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csChFnd80/03022213362D

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>  <CAS> (100)
464-92-6

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

$$$$
Cryptotanshinone.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (101)
713

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C19H20O3

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S2285

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Cryptotanshinone

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N/A

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STAT

>  <Form> (101)
Free Base

>  <CAS> (101)
35825-57-1

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

$$$$
Honokiol.cdx
csChFnd80/03022213362D

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732

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C18H18O2

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S2310

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Honokiol

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N/A

>  <Target> (102)
Akt, MEK

>  <Form> (102)
Free Base

>  <CAS> (102)
35354-74-6

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

$$$$
Indole-3-carbinol.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (103)
735

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C9H9NO

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147.17386

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S2313

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Indole-3-carbinol

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N/A

>  <Target> (103)
NF-¦ÊB

>  <Form> (103)
Free Base

>  <CAS> (103)
700-06-1

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

$$$$
Magnolol.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (104)
741

>  <Formula> (104)
C18H18O2

>  <MolWeight> (104)
266.33432

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S2321

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Magnolol

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2,2'-Bichavicol

>  <Target> (104)
NF-¦ÊB

>  <Form> (104)
Free Base

>  <CAS> (104)
528-43-8

>  <URL> (104)
http://www.selleckchem.com/products/Magnolol(2,2-Bichavicol).html

$$$$
Myricetin.cdx
csChFnd80/03022213362D

 23 25  0  0  0  0  0  0  0  0999 V2000
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744

>  <Formula> (105)
C15H10O8

>  <MolWeight> (105)
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>  <Cat> (105)
S2326

>  <Name> (105)
Myricetin (Cannabiscetin)

>  <Synonyms> (105)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (105)
NULL

>  <Form> (105)
Free Base

>  <CAS> (105)
529-44-2

>  <URL> (105)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

$$$$
Myricitrin.cdx
csChFnd80/03022213362D

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  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
 24 14  1  1  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
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (106)
745

>  <Formula> (106)
C21H20O12

>  <MolWeight> (106)
464.3763

>  <Cat> (106)
S2327

>  <Name> (106)
Myricitrin (Myricitrine)

>  <Synonyms> (106)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (106)
PKC

>  <Form> (106)
Free Base

>  <CAS> (106)
17912-87-7

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

$$$$
Parthenolide.cdx
csChFnd80/03022213362D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    0.0000    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0183    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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  8 13  1  1  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (107)
756

>  <Formula> (107)
C15H20O3

>  <MolWeight> (107)
248.3175

>  <Cat> (107)
S2341

>  <Name> (107)
Parthenolide ((-)-Parthenolide)

>  <Synonyms> (107)
N/A 

>  <Target> (107)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (107)
Free Base

>  <CAS> (107)
20554-84-1

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

$$$$
Dihydromyricetin.cdx
csChFnd80/03022213362D

 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
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    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
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   10.8993    6.2903    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
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
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 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> (108)
766

>  <Formula> (108)
C15H12O8

>  <MolWeight> (108)
320.25098

>  <Cat> (108)
S2399

>  <Name> (108)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (108)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (108)
Others

>  <Form> (108)
Free Base

>  <CAS> (108)
27200-12-0

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

$$$$
Chrysophanic acid.cdx
csChFnd80/03022213362D

 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
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  1  2  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
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 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> (109)
770

>  <Formula> (109)
C15H10O4

>  <MolWeight> (109)
254.2375

>  <Cat> (109)
S2406

>  <Name> (109)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (109)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (109)
EGFR, mTOR

>  <Form> (109)
Free Base

>  <CAS> (109)
481-74-3

>  <URL> (109)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
GSK2126458.cdx
csChFnd80/03022213362D

 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
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 29 30  1  0  0  0  0
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 33 34  1  0  0  0  0
 11 33  1  0  0  0  0
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  4 35  1  0  0  0  0
  2 36  1  0  0  0  0
M  END
>  <Mol_ID> (110)
811

>  <Formula> (110)
C25H17F2N5O3S

>  <MolWeight> (110)
505.4959864

>  <Cat> (110)
S2658

>  <Name> (110)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (110)
N/A 

>  <Target> (110)
PI3K, mTOR

>  <Form> (110)
Free Base

>  <CAS> (110)
1086062-66-9 

>  <URL> (110)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
CAL-1011.cdx
csChFnd80/03022213362D

 31 35  0  0  0  0  0  0  0  0999 V2000
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841

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PI3K 

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Free Base

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870281-82-6

>  <URL> (111)
http://www.selleckchem.com/products/CAL-101.html

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PIK-294.cdx
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>  <Mol_ID> (112)
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C28H23N7O2

>  <MolWeight> (112)
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>  <Cat> (112)
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>  <Name> (112)
PIK-294

>  <Synonyms> (112)
N/A 

>  <Target> (112)
PI3K 

>  <Form> (112)
Free Base

>  <CAS> (112)
900185-02-6

>  <URL> (112)
http://www.selleckchem.com/products/PIK-294.html

$$$$
Neohesperidin.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (113)
846

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C28H34O15

>  <MolWeight> (113)
610.56056

>  <Cat> (113)
S2332

>  <Name> (113)
Neohesperidin

>  <Synonyms> (113)
N/A

>  <Target> (113)
ROS

>  <Form> (113)
Free Base

>  <CAS> (113)
13241-33-3 

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

$$$$
Phenformin hydrochloride.cdx
csChFnd80/03022213362D

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C10H16ClN5

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241.72054

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S2542

>  <Name> (114)
Phenformin hydrochloride 

>  <Synonyms> (114)
N/A

>  <Target> (114)
AMPK

>  <Form> (114)
Hydrochloride 

>  <CAS> (114)
834-28-6

>  <URL> (114)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
OSI-027.cdx
csChFnd80/03022213362D

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DNA-PK, mTOR, PDGF

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Free Base

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1092788-83-4

>  <URL> (116)
http://www.selleckchem.com/products/PP121.html

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N/A 

>  <Target> (117)
PI3K

>  <Form> (117)
Free Base

>  <CAS> (117)
944396-07-0

>  <URL> (117)
http://www.selleckchem.com/products/BKM-120.html

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1035555-63-5

>  <URL> (118)
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>  <URL> (119)
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1144068-46-1

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http://www.selleckchem.com/products/wye-125132.html

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Diferuloylmethane, Natural Yellow 3, C.I. 75300 

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NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (129)
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>  <CAS> (129)
458-37-7

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

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871700-17-3

>  <URL> (130)
http://www.selleckchem.com/products/gsk1120212-(jtp-74057).html

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AMPK

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844499-71-4

>  <URL> (131)
http://www.selleckchem.com/products/a-769662.html

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M  END
>  <Mol_ID> (137)
945

>  <Formula> (137)
C15H15N7O

>  <MolWeight> (137)
309.3259

>  <Cat> (137)
S2811

>  <Name> (137)
INK 128 (MLN0128)

>  <Synonyms> (137)
N/A 

>  <Target> (137)
mTOR 

>  <Form> (137)
Free Base

>  <CAS> (137)
1224844-38-5

>  <URL> (137)
http://www.selleckchem.com/products/ink128.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/03022213362D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (138)
955

>  <Formula> (138)
C20H22ClN3O2

>  <MolWeight> (138)
371.86058

>  <Cat> (138)
S2627

>  <Name> (138)
Tubastatin A hydrochloride

>  <Synonyms> (138)
N/A

>  <Target> (138)
HDAC

>  <Form> (138)
Hydrochloride

>  <CAS> (138)
1310693-92-5

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

$$$$
PF-04691502.cdx
csChFnd80/03022213362D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (139)
957

>  <Formula> (139)
C22H27N5O4

>  <MolWeight> (139)
425.48088

>  <Cat> (139)
S2743

>  <Name> (139)
PF-04691502

>  <Synonyms> (139)
N/A

>  <Target> (139)
mTOR, PI3K, Akt

>  <Form> (139)
Free Base

>  <CAS> (139)
1013101-36-4 

>  <URL> (139)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Idebenone.cdx
csChFnd80/03022213362D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (140)
1004

>  <Formula> (140)
C19H30O5

>  <MolWeight> (140)
338.4385

>  <Cat> (140)
S2605

>  <Name> (140)
Idebenone

>  <Synonyms> (140)
N/A

>  <Target> (140)
ROS

>  <Form> (140)
Free Base

>  <CAS> (140)
58186-27-9

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

$$$$
Sodium salicylate.cdx
csChFnd80/03022213362D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (141)
1033

>  <Formula> (141)
C7H6NaO3

>  <MolWeight> (141)
161.11051

>  <Cat> (141)
S3137

>  <Name> (141)
Sodium salicylate

>  <Synonyms> (141)
N/A 

>  <Target> (141)
NF-¦ÊB

>  <Form> (141)
sodium salt

>  <CAS> (141)
54-21-7

>  <URL> (141)
http://www.selleckchem.com/products/sodium-salicylate.html

$$$$
AZD 6482.cdx
csChFnd80/03022213362D

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931398-72-0

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http://www.selleckchem.com/products/iox2.html

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p38 MAPK

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303162-79-0

>  <URL> (149)
http://www.selleckchem.com/products/tak-715.html

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327036-89-5 

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http://www.selleckchem.com/products/tdzd-8.html

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130964-39-5

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2627-69-2

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1255517-76-0

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    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (157)
1278

>  <Formula> (157)
C22H20N4O

>  <MolWeight> (157)
356.4204

>  <Cat> (157)
S4902

>  <Name> (157)
QNZ (EVP4593)

>  <Synonyms> (157)
N/A

>  <Target> (157)
NF-¦ÊB

>  <Form> (157)
Free Base

>  <CAS> (157)
545380-34-5

>  <URL> (157)
http://www.selleckchem.com/products/qnz-evp4593.html

$$$$
Aminosalicylate sodium.cdx
csChFnd80/03022213362D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.2103    2.0976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4227    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8434    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2640    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6955    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
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  9  3  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (158)
1302

>  <Formula> (158)
C7H6NNaO3

>  <MolWeight> (158)
175.11721

>  <Cat> (158)
S4073

>  <Name> (158)
Sodium 4-Aminosalicylate

>  <Synonyms> (158)
N/A

>  <Target> (158)
NF-¦ÊB

>  <Form> (158)
Sodium Salt

>  <CAS> (158)
133-10-8

>  <URL> (158)
http://www.selleckchem.com/products/aminosalicylate-sodium.html

$$$$
sodium phenylbutyrate.cdx
csChFnd80/03022213362D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 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
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  4  6  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (159)
1329

>  <Formula> (159)
C10H11NaO2

>  <MolWeight> (159)
186.18291

>  <Cat> (159)
S4125

>  <Name> (159)
Sodium Phenylbutyrate

>  <Synonyms> (159)
N/A

>  <Target> (159)
HDAC

>  <Form> (159)
Sodium Salt

>  <CAS> (159)
1716-12-7

>  <URL> (159)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

$$$$
nifuroxazide.cdx
csChFnd80/03022213362D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4032    3.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2382    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2382    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8382    4.1200    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (160)
1364

>  <Formula> (160)
C12H9N3O5

>  <MolWeight> (160)
275.21696

>  <Cat> (160)
S4182

>  <Name> (160)
Nifuroxazide

>  <Synonyms> (160)
N/A

>  <Target> (160)
STAT

>  <Form> (160)
Free Base

>  <CAS> (160)
965-52-6

>  <URL> (160)
http://www.selleckchem.com/products/nifuroxazide.html

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/03022213362D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    7.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (161)
1375

>  <Formula> (161)
C16H19N3O4S

>  <MolWeight> (161)
349.40476

>  <Cat> (161)
S2693

>  <Name> (161)
Resminostat (RAS2410)

>  <Synonyms> (161)
4SC-201, BYK408740

>  <Target> (161)
HDAC

>  <Form> (161)
Free Base

>  <CAS> (161)
864814-88-0

>  <URL> (161)
http://www.selleckchem.com/products/resminostat-ras2410.html

$$$$
VX-745.cdx
csChFnd80/03022213362D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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M  END
>  <Mol_ID> (162)
1457

>  <Formula> (162)
C19H9Cl2F2N3OS

>  <MolWeight> (162)
436.2620664

>  <Cat> (162)
S1458

>  <Name> (162)
VX-745

>  <Synonyms> (162)
N/A

>  <Target> (162)
p38 MAPK 

>  <Form> (162)
Free Base

>  <CAS> (162)
209410-46-8

>  <URL> (162)
http://www.selleckchem.com/products/VX-745.html

$$$$
untitled.cdx
csChFnd80/03022213362D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (163)
1458

>  <Formula> (163)
C13H16N6O4

>  <MolWeight> (163)
320.30394

>  <Cat> (163)
S1117

>  <Name> (163)
Triciribine

>  <Synonyms> (163)
N/A

>  <Target> (163)
Akt

>  <Form> (163)
Free Base

>  <CAS> (163)
35943-35-2

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

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/03022213362D

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>  <Mol_ID> (164)
1499

>  <Formula> (164)
C19H20F3IN2O5S

>  <MolWeight> (164)
572.3371796

>  <Cat> (164)
S1089

>  <Name> (164)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (164)
BAY 869766

>  <Target> (164)
MEK

>  <Form> (164)
Free Base

>  <CAS> (164)
923032-37-5

>  <URL> (164)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
Dicoumarol.cdx
csChFnd80/03022213362D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (165)
1514

>  <Formula> (165)
C19H12O6

>  <MolWeight> (165)
336.29498

>  <Cat> (165)
S4299

>  <Name> (165)
Dicoumarol

>  <Synonyms> (165)
Dicumarol

>  <Target> (165)
Others

>  <Form> (165)
Free Base

>  <CAS> (165)
66-76-2

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

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/03022213362D

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>  <Mol_ID> (166)
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>  <Formula> (166)
C44H69NO12

>  <MolWeight> (166)
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>  <Cat> (166)
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>  <Name> (166)
Tacrolimus (FK506)

>  <Synonyms> (166)
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>  <Target> (166)
mTOR

>  <Form> (166)
Free Base

>  <CAS> (166)
104987-11-3

>  <URL> (166)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (167)
1530

>  <Formula> (167)
C56H87NO16

>  <MolWeight> (167)
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>  <Cat> (167)
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>  <Name> (167)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (167)
N/A

>  <Target> (167)
mTOR

>  <Form> (167)
Free Base

>  <CAS> (167)
162635-04-3

>  <URL> (167)
http://www.selleckchem.com/products/Temsirolimus.html

$$$$
PF-2341066.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (168)
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>  <Formula> (168)
C21H22Cl2FN5O

>  <MolWeight> (168)
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>  <Cat> (168)
S1068

>  <Name> (168)
Crizotinib (PF-02341066)

>  <Synonyms> (168)
N/A 

>  <Target> (168)
c-Met, ALK

>  <Form> (168)
Free Base

>  <CAS> (168)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (168)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
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csChFnd80/03022213362D

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 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (169)
1551

>  <Formula> (169)
C21H28Cl2N6O2

>  <MolWeight> (169)
467.39202

>  <Cat> (169)
S1096

>  <Name> (169)
Quisinostat (JNJ-26481585) 2HCl

>  <Synonyms> (169)
N/A

>  <Target> (169)
HDAC

>  <Form> (169)
Dihydrochloride

>  <CAS> (169)
875320-31-3

>  <URL> (169)
http://www.selleckchem.com/products/JNJ-26481585.html

$$$$
S1263.cdx
csChFnd80/03022213362D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4234    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6359    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6359    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9105    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9727    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3354    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.1851    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.6941    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0635    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7635    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8268    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1559    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 18 20  2  0  0  0  0
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 30 19  2  0  0  0  0
 29 31  1  0  0  0  0
  7 32  3  0  0  0  0
M  END
>  <Mol_ID> (170)
1554

>  <Formula> (170)
C22H18Cl2N8

>  <MolWeight> (170)
465.33792

>  <Cat> (170)
S1263

>  <Name> (170)
CHIR-99021 (CT99021)

>  <Synonyms> (170)
N/A

>  <Target> (170)
GSK-3

>  <Form> (170)
Free Base

>  <CAS> (170)
252917-06-9

>  <URL> (170)
http://www.selleckchem.com/products/CHIR-99021.html

$$$$
6-Benzylaminopurine.cdx
csChFnd80/03022213362D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   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
    4.8497    0.0000    0.0000 N   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  0  0  0  0  0  0  0  0  0  0
    7.3937    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 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
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (171)
1563

>  <Formula> (171)
C12H11N5

>  <MolWeight> (171)
225.24924

>  <Cat> (171)
S4511

>  <Name> (171)
6-Benzylaminopurine

>  <Synonyms> (171)
N/A

>  <Target> (171)
Others

>  <Form> (171)
Free Base

>  <CAS> (171)
1214-39-7

>  <URL> (171)
http://www.selleckchem.com/products/6-benzylaminopurine.html

$$$$
S4603 Gallic acid.cdx
csChFnd80/03022213362D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (172)
1633

>  <Formula> (172)
C7H6O5

>  <MolWeight> (172)
170.11954

>  <Cat> (172)
S4603

>  <Name> (172)
Gallic acid

>  <Synonyms> (172)
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid

>  <Target> (172)
ROS

>  <Form> (172)
Free Base

>  <CAS> (172)
149-91-7

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

$$$$
S4715 Benzamide.cdx
csChFnd80/03022213362D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.6999    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    0.0000    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
    0.0000    2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
M  END
>  <Mol_ID> (173)
1694

>  <Formula> (173)
C7H7NO

>  <MolWeight> (173)
121.13658

>  <Cat> (173)
S4715

>  <Name> (173)
Benzamide

>  <Synonyms> (173)
Sulfabenzamide|Sulfabenzid|Sulfabenzide|Sulfabenzoylamide|N-Sulfamylbenzamide

>  <Target> (173)
Others

>  <Form> (173)
Free Base

>  <CAS> (173)
55-21-0

>  <URL> (173)
http://www.selleckchem.com/products/benzamide.html

$$$$
S4710 Picolinamide.cdx
csChFnd80/03022213362D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (174)
1703

>  <Formula> (174)
C6H6N2O

>  <MolWeight> (174)
122.12464

>  <Cat> (174)
S4710

>  <Name> (174)
Picolinamide

>  <Synonyms> (174)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (174)
PARP

>  <Form> (174)
Free Base

>  <CAS> (174)
1452-77-3

>  <URL> (174)
http://www.selleckchem.com/products/picolinamide.html

$$$$
S4723 (-)Epicatechin.cdx
csChFnd80/03022213362D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    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    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (175)
1704

>  <Formula> (175)
C15H14O6

>  <MolWeight> (175)
290.26806

>  <Cat> (175)
S4723

>  <Name> (175)
(-)Epicatechin

>  <Synonyms> (175)
L-Epicatechin, (-)-Epicatechol

>  <Target> (175)
Others

>  <Form> (175)
Free Base

>  <CAS> (175)
490-46-0

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

$$$$
MK4827.cdx
csChFnd80/03022213362D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (176)
1708

>  <Formula> (176)
C19H20N4O

>  <MolWeight> (176)
320.3883

>  <Cat> (176)
S2741

>  <Name> (176)
MK-4827(Niraparib)

>  <Synonyms> (176)
N/A

>  <Target> (176)
PARP

>  <Form> (176)
Free Base

>  <CAS> (176)
1038915-60-4

>  <URL> (176)
http://www.selleckchem.com/products/mk-4827.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (177)
1750

>  <Formula> (177)
C48H78O19

>  <MolWeight> (177)
959.12152

>  <Cat> (177)
S3616

>  <Name> (177)
Asiaticoside

>  <Synonyms> (177)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (177)
Others

>  <Form> (177)
free base

>  <CAS> (177)
16830-15-2

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

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/03022213362D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (178)
1752

>  <Formula> (178)
C5H12N2S2

>  <MolWeight> (178)
164.29218

>  <Cat> (178)
S3633

>  <Name> (178)
Pyrrolidinedithiocarbamate ammonium

>  <Synonyms> (178)
APDC, PDTC

>  <Target> (178)
NF-¦ÊB

>  <Form> (178)
ammonium salt

>  <CAS> (178)
5108-96-3

>  <URL> (178)
http://www.selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (179)
1773

>  <Formula> (179)
C11H8O3

>  <MolWeight> (179)
188.17942

>  <Cat> (179)
S3661

>  <Name> (179)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (179)
N/A

>  <Target> (179)
PKC

>  <Form> (179)
free base

>  <CAS> (179)
2348-82-5

>  <URL> (179)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3942 Cardamonin.cdx
csChFnd80/03022213362D

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    1.2123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (180)
1865

>  <Formula> (180)
C16H14O4

>  <MolWeight> (180)
270.27996

>  <Cat> (180)
S3867

>  <Name> (180)
Cardamoni

>  <Synonyms> (180)
Alpinetin chalcone, cardamomin

>  <Target> (180)
NF-¦ÊB,Calcium Channel

>  <Form> (180)
free base

>  <CAS> (180)
 19309-14-9

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/03022213362D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    4.8534    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    2.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9660    7.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1018    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2136    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
  8 10  1  1  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 18  3  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  2  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
  7 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (181)
1877

>  <Formula> (181)
C19H20O5

>  <MolWeight> (181)
328.3591

>  <Cat> (181)
S3819

>  <Name> (181)
Decursinol angelate

>  <Synonyms> (181)
N/A

>  <Target> (181)
PKC

>  <Form> (181)
free base

>  <CAS> (181)
130848-06-5

>  <URL> (181)
http://www.selleckchem.com/products/decursinol-angelate.html

$$$$
S3838 Carnosic acid.cdx
csChFnd80/03022213362D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0439    4.2039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8345    3.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2654    3.4901    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0439    5.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2389    5.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8345    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972    4.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2654    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4712    4.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2654    6.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6712    6.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9064    4.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0439    1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    3.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972    6.0211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4712    5.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    4.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3594    2.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2176    4.1920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2176    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2096    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4117    2.7724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 14  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 17  1  0  0  0  0
 13 20  2  0  0  0  0
 15 21  1  0  0  0  0
 15 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (182)
1891

>  <Formula> (182)
C20H28O4

>  <MolWeight> (182)
332.43392

>  <Cat> (182)
S3838

>  <Name> (182)
Carnosic acid

>  <Synonyms> (182)
salvin

>  <Target> (182)
Others

>  <Form> (182)
free base

>  <CAS> (182)
639426

>  <URL> (182)
http://www.selleckchem.com/products/carnosic-acid.html

$$$$
S3840 Baohuoside I.cdx
csChFnd80/03022213362D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    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
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  3 17  1  0  0  0  0
  7 18  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 29 34  1  1  0  0  0
 32 35  1  1  0  0  0
 30 36  1  1  0  0  0
 31 37  1  6  0  0  0
M  END
>  <Mol_ID> (183)
1892

>  <Formula> (183)
C27H30O10

>  <MolWeight> (183)
514.5211

>  <Cat> (183)
S3840

>  <Name> (183)
Baohuoside I

>  <Synonyms> (183)
Icariside II

>  <Target> (183)
ROS

>  <CAS> (183)
113558-15-9

>  <URL> (183)
http://www.selleckchem.com/products/baohuoside-i.html

$$$$
S3885 Pyrogallol.cdx
csChFnd80/03022213362D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4213    1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    3.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    3.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (184)
1939

>  <Formula> (184)
C6H6O3

>  <MolWeight> (184)
126.11004

>  <Cat> (184)
S3885

>  <Name> (184)
Pyrogallol

>  <Synonyms> (184)
1,2,3-trihydroxybenzene

>  <Target> (184)
ROS

>  <Form> (184)
free base

>  <CAS> (184)
87-66-1

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

$$$$
S3874 Curcumenol.cdx
csChFnd80/03022213362D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.7647    2.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7647    4.3230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4640    4.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6693    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0963    2.5261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6968    5.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    4.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183    3.6623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3070    2.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9212    3.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3311    4.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151    6.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3389    3.6623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  1  0  0  0
  8  3  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (185)
1947

>  <Formula> (185)
C15H22O2

>  <MolWeight> (185)
234.33398

>  <Cat> (185)
S3874

>  <Name> (185)
Curcumenol

>  <Synonyms> (185)
N/A

>  <Target> (185)
NF-¦ÊB

>  <Form> (185)
free base

>  <CAS> (185)
19431-84-6

>  <URL> (185)
http://www.selleckchem.com/products/curcumenol.html

$$$$
Torin 1.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (186)
1993

>  <Formula> (186)
C35H28F3N5O2

>  <MolWeight> (186)
607.6243296

>  <Cat> (186)
S2827

>  <Name> (186)
Torin 1

>  <Synonyms> (186)
N/A 

>  <Target> (186)
mTOR

>  <Form> (186)
Free Base

>  <CAS> (186)
1222998-36-8

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

$$$$
TG 100713.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (187)
1998

>  <Formula> (187)
C12H10N6O

>  <MolWeight> (187)
254.2474

>  <Cat> (187)
S2870

>  <Name> (187)
TG 100713

>  <Synonyms> (187)
N/A

>  <Target> (187)
PI3K

>  <Form> (187)
Free Base

>  <CAS> (187)
925705-73-3

>  <URL> (187)
http://www.selleckchem.com/products/tg-100713.html

$$$$
Scriptaid (GCK 1026).cdx
csChFnd80/03022213362D

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>  <Mol_ID> (188)
2003

>  <Formula> (188)
C18H18N2O4

>  <MolWeight> (188)
326.34652

>  <Cat> (188)
S8043

>  <Name> (188)
Scriptaid 

>  <Synonyms> (188)
Scriptide, GCK 1026

>  <Target> (188)
HDAC

>  <Form> (188)
Free Base

>  <CAS> (188)
287383-59-9

>  <URL> (188)
https://www.selleckchem.com/products/scriptaid.html

$$$$
CGK 733.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (189)
2015

>  <Formula> (189)
C23H18Cl3FN4O3S

>  <MolWeight> (189)
555.8364232

>  <Cat> (189)
S7136

>  <Name> (189)
CGK 733

>  <Synonyms> (189)
N/A

>  <Target> (189)
ATM/ATR

>  <Form> (189)
Free Base

>  <CAS> (189)
905973-89-9

>  <URL> (189)
http://www.selleckchem.com/products/cgk-733.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/03022213362D

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   12.1241    7.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241   10.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3365    8.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2258    1.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4932    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (190)
2025

>  <Formula> (190)
C18H32ClN3O8P2

>  <MolWeight> (190)
515.862502

>  <Cat> (190)
S4157

>  <Name> (190)
Chloroquine Phosphate

>  <Synonyms> (190)
N/A

>  <Target> (190)
Others

>  <Form> (190)
Diphosphate

>  <CAS> (190)
50-63-5

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

$$$$
Sodium valproate.cdx
csChFnd80/03022213362D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  5  8  2  0  0  0  0
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  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (191)
2253

>  <Formula> (191)
C8H15NaO2

>  <MolWeight> (191)
166.19327

>  <Cat> (191)
S1168

>  <Name> (191)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (191)
N/A 

>  <Target> (191)
GABA Receptor, HDAC

>  <CAS> (191)
1069-66-5, 99-66-1 (FREE BASE)

>  <URL> (191)
http://www.selleckchem.com/products/Sodium-valproate.html

$$$$
GW 5074.cdx
csChFnd80/03022213362D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1826    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7604    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1930    5.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5624    5.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4992    4.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0665    3.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8638    5.0218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0001    2.3634    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.9935    7.0990    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  8 10  2  0  0  0  0
  6 11  1  0  0  0  0
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 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (192)
2265

>  <Formula> (192)
C15H8Br2INO2

>  <MolWeight> (192)
520.94199

>  <Cat> (192)
S2872

>  <Name> (192)
GW5074

>  <Synonyms> (192)
N/A

>  <Target> (192)
Raf

>  <Form> (192)
free base

>  <CAS> (192)
220904-83-6

>  <URL> (192)
http://selleckchem.com/products/gw5074.html

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/03022213362D

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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    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
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
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 10 14  2  0  0  0  0
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 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (193)
2273

>  <Formula> (193)
C15H14O6

>  <MolWeight> (193)
290.26806

>  <Cat> (193)
S4722

>  <Name> (193)
(+)-Catechin

>  <Synonyms> (193)
Cianidanol, Catechinic acid, Catechuic acid

>  <Target> (193)
Others

>  <Form> (193)
Free Base

>  <CAS> (193)
154-23-4

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

$$$$
untitled.cdx
csChFnd80/03022213362D

 27 26  0  0  0  0  0  0  0  0999 V2000
   23.5990    4.5249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   21.4990    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.3865    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2990    5.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7990    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   17.9990    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
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  7  8  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (194)
2282

>  <Formula> (194)
C21H46NO4P

>  <MolWeight> (194)
407.568001

>  <Cat> (194)
S3056

>  <Name> (194)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (194)
N/A

>  <Target> (194)
Akt

>  <Form> (194)
Free Base

>  <CAS> (194)
58066-85-6

>  <URL> (194)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
csChFnd80/03022213362D

 21 24  0  0  0  0  0  0  0  0999 V2000
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    3.6473    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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mTOR

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1207360-89-1

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https://www.selleckchem.com/products/gdc-0349.html

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PARP

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Free Base

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1174043-16-3

>  <URL> (205)
https://www.selleckchem.com/products/azd2461.html

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untitled.cdx
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2361

>  <Formula> (206)
C21H16N6O2S2

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S1118

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XL147 analogue

>  <Synonyms> (206)
SAR245408

>  <Target> (206)
PI3K 

>  <Form> (206)
Free Base

>  <CAS> (206)
956958-53-5

>  <URL> (206)
http://www.selleckchem.com/products/XL147.html

$$$$
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csChFnd80/03022213362D

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2365

>  <Formula> (207)
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>  <Name> (207)
PIK-75 

>  <Synonyms> (207)
N/A

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PI3K, DNA-PK

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Hydrochloride

>  <CAS> (207)
372196-77-5

>  <URL> (207)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
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M  END
>  <Mol_ID> (208)
2370

>  <Formula> (208)
C25H52NO4P

>  <MolWeight> (208)
461.658441

>  <Cat> (208)
S1037

>  <Name> (208)
Perifosine (KRX-0401)

>  <Synonyms> (208)
NSC639966

>  <Target> (208)
Akt

>  <Form> (208)
Free Base

>  <CAS> (208)
157716-52-4

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

$$$$
bms-707035.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (209)
2382

>  <Formula> (209)
C18H11N3O2S

>  <MolWeight> (209)
333.36384

>  <Cat> (209)
S1360

>  <Name> (209)
GSK1059615

>  <Synonyms> (209)
N/A

>  <Target> (209)
PI3K, mTOR

>  <Form> (209)
Free Base

>  <CAS> (209)
958852-01-2

>  <URL> (209)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
LY2228820.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (210)
2390

>  <Formula> (210)
C26H37FN6O6S2

>  <MolWeight> (210)
612.7369832

>  <Cat> (210)
S1494

>  <Name> (210)
LY2228820

>  <Synonyms> (210)
N/A

>  <Target> (210)
p38 MAPK

>  <Form> (210)
Dimesylate

>  <CAS> (210)
862507-23-1

>  <URL> (210)
http://www.selleckchem.com/products/LY2228820.html

$$$$
Sodium butyrate.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (211)
2411

>  <Formula> (211)
C4H7NaO2

>  <MolWeight> (211)
110.08695

>  <Cat> (211)
S1999

>  <Name> (211)
Sodium butyrate

>  <Synonyms> (211)
Butyric acid sodium salt

>  <Target> (211)
HDAC

>  <Form> (211)
Sodium Salt

>  <CAS> (211)
156-54-7

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

$$$$
untitled.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (212)
2431

>  <Formula> (212)
C19H12F4N4O2

>  <MolWeight> (212)
404.3177928

>  <Cat> (212)
S6005

>  <Name> (212)
VX-702

>  <Synonyms> (212)
N/A

>  <Target> (212)
p38 MAPK 

>  <Form> (212)
Free Base

>  <CAS> (212)
745833-23-2

>  <URL> (212)
http://www.selleckchem.com/products/VX-702.html

$$$$
PK-1587.cdx
csChFnd80/03022213362D

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>  <Form> (213)
Free Base

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1197160-78-3

>  <URL> (213)
http://www.selleckchem.com/products/pki587.html

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NU7441(KU-57788)

>  <Synonyms> (214)
N/A 

>  <Target> (214)
DNA-PK, PI3K

>  <Form> (214)
Free Base

>  <CAS> (214)
503468-95-9 

>  <URL> (214)
http://www.selleckchem.com/products/nu7441.html

$$$$
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2477

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C17H17ClN2O5

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SC79

>  <Synonyms> (215)
N/A

>  <Target> (215)
Akt

>  <Form> (215)
Free Base

>  <CAS> (215)
305834-79-1

>  <URL> (215)
http://www.selleckchem.com/products/sc79.html

$$$$
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1207293-36-4

>  <URL> (216)
http://www.selleckchem.com/products/bi-847325.html

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Omaveloxolone (RTA-408)

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N/A

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NF-¦ÊB

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Free Base

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1474034-05-3

>  <URL> (221)
http://www.selleckchem.com/products/omaveloxolone-rta-408.html

$$$$
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1282512-48-4

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http://www.selleckchem.com/products/gdc-0032.html

$$$$
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>  <CAS> (223)
32619-42-4

>  <URL> (223)
http://www.selleckchem.com/products/oleuropein.html

$$$$
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M  END
>  <Mol_ID> (228)
2537

>  <Formula> (228)
C18H12BrN3O3

>  <MolWeight> (228)
398.21018

>  <Cat> (228)
S7915

>  <Name> (228)
BIO-acetoxime

>  <Synonyms> (228)
N/A

>  <Target> (228)
GSK-3

>  <Form> (228)
Free Base

>  <CAS> (228)
667463-85-6

>  <URL> (228)
http://www.selleck.cn/products/bio-acetoxime.html

$$$$
AMG319.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (229)
2540

>  <Formula> (229)
C21H16FN7

>  <MolWeight> (229)
385.3970432

>  <Cat> (229)
S7813

>  <Name> (229)
AMG319

>  <Synonyms> (229)
N/A

>  <Target> (229)
PI3K

>  <Form> (229)
Free Base

>  <CAS> (229)
1608125-21-8

>  <URL> (229)
http://www.selleckchem.com/products/amg319.html

$$$$
BAY 1895344.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (230)
2545

>  <Formula> (230)
C20H22ClN7O

>  <MolWeight> (230)
411.88798

>  <Cat> (230)
S8666

>  <Name> (230)
BAY 1895344

>  <Synonyms> (230)
N/A

>  <Target> (230)
ATR

>  <Form> (230)
hydrochloride

>  <CAS> (230)
1876467-74-1(free base)

>  <URL> (230)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
CBL0137(CBL-0137).cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (231)
2546

>  <Formula> (231)
C21H25ClN2O2

>  <MolWeight> (231)
372.8884

>  <Cat> (231)
S8483

>  <Name> (231)
CBL0137(CBL-0137)

>  <Synonyms> (231)
CBLC137, Curaxin 137

>  <Target> (231)
FACT,p53,NF-¦ÊB 

>  <Form> (231)
hydrochloride

>  <CAS> (231)
1197397-89-9

>  <URL> (231)
http://www.selleckchem.com/products/cbl0137-cbl-0137.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/03022213362D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (232)
2552

>  <Formula> (232)
C8H16O2

>  <MolWeight> (232)
144.21144

>  <Cat> (232)
S3944

>  <Name> (232)
Valproic acid

>  <Synonyms> (232)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (232)
HDAC1

>  <Form> (232)
free base

>  <CAS> (232)
99-66-1

>  <URL> (232)
http://www.selleckchem.com/products/valproic-acid.html

$$$$
S3973 L-SelenoMethionine.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (233)
2561

>  <Formula> (233)
C5H11NO2Se

>  <MolWeight> (233)
196.10634

>  <Cat> (233)
S3973

>  <Name> (233)
L-SelenoMethionine

>  <Synonyms> (233)
N/A

>  <Target> (233)
ROS

>  <Form> (233)
free base

>  <CAS> (233)
3211-76-5

>  <URL> (233)
http://www.selleckchem.com/products/l-selenomethionine.html

$$$$
WT161.cdx
csChFnd80/03022213362D

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1206731-57-8

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http://www.selleckchem.com/products/wt161.html

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Free Base

>  <CAS> (235)
612487-72-6

>  <URL> (235)
http://www.selleckchem.com/products/azd1080.html

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606143-89-9

>  <URL> (236)
http://www.selleckchem.com/products/mek162.html

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>  <CAS> (237)
1227911-45-6

>  <URL> (237)
http://www.selleckchem.com/products/gsk2334470.html

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Akt

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41276-02-2

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

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GSK-3

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667463-62-9

>  <URL> (239)
http://www.selleckchem.com/products/bio.html

$$$$
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RGFP966

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N/A

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HDAC

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1396841-57-8

>  <URL> (240)
http://www.selleckchem.com/products/rgfp966.html

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486424-20-8

>  <URL> (241)
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M  END
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2623

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C26H27N5O5S2

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553.65308

>  <Cat> (242)
S7207

>  <Name> (242)
Ro 31-8220 Mesylate

>  <Synonyms> (242)
Bisindolylmaleimide IX Mesylate

>  <Target> (242)
PKC

>  <Form> (242)
Mesylate

>  <CAS> (242)
138489-18-6

>  <URL> (242)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
CZC24832.cdx
csChFnd80/03022213362D

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C15H17FN6O2S

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S7018

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CZC24832

>  <Synonyms> (243)
N/A

>  <Target> (243)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (243)
Free Base

>  <CAS> (243)
1159824-67-5

>  <URL> (243)
http://www.selleckchem.com/products/czc24832.html

$$$$
ETP-46464.cdx
csChFnd80/03022213362D

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2629

>  <Formula> (244)
C30H22N4O2

>  <MolWeight> (244)
470.52128

>  <Cat> (244)
S8050

>  <Name> (244)
ETP-46464

>  <Synonyms> (244)
N/A

>  <Target> (244)
mTOR

>  <Form> (244)
Free Base

>  <CAS> (244)
1345675-02-6

>  <URL> (244)
http://www.selleckchem.com/products/etp-46464.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/03022213362D

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2633

>  <Formula> (245)
C24H27Cl2N5O

>  <MolWeight> (245)
472.41008

>  <Cat> (245)
S7306

>  <Name> (245)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (245)
BML-275,Compound C

>  <Target> (245)
AMPK

>  <Form> (245)
Dihydrochloride

>  <CAS> (245)
1219168-18-9

>  <URL> (245)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
Skepinone-L.cdx
csChFnd80/03022213362D

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2637

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C24H21F2NO4

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Skepinone-L

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N/A

>  <Target> (246)
p38 MAPK

>  <Form> (246)
Free Base

>  <CAS> (246)
1221485-83-1

>  <URL> (246)
http://www.selleckchem.com/products/skepinone-l.html

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1228591-30-7

>  <URL> (247)
http://www.selleckchem.com/products/tak-632.html

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NF-¦ÊB

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749886-87-1

>  <URL> (248)
http://www.selleckchem.com/products/jsh-23.html

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csChFnd80/03022213362D

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Sorafenib

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>  <Target> (249)
Raf

>  <Form> (249)
Free Base

>  <CAS> (249)
284461-73-0

>  <URL> (249)
http://www.selleckchem.com/products/sorafenib.html

$$$$
RG2833 (RGFP109).cdx
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N/A

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AMPK

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Free Base

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1214265-58-3

>  <URL> (251)
http://www.selleckchem.com/products/wz4003.html

$$$$
Caffeic acid phenethyl ester(CAPE).cdx
csChFnd80/03022213362D

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C17H16O4

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Caffeic acid phenethyl ester(CAPE)

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CAPE, Phenylethyl Caffeate

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NF-¦ÊB

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Free Base

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104594-70-9

>  <URL> (252)
http://www.selleckchem.com/products/caffeic-acid-phenethyl-ester.html

$$$$
AZ20.cdx
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C21H24N4O3S

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AZ20

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N/A

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ATM/ATR

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Free Base

>  <CAS> (253)
1233339-22-4

>  <URL> (253)
http://www.selleckchem.com/products/az20.html

$$$$
VE-822.cdx
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VE-822

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N/A

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ATM/ATR

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Free Base

>  <CAS> (254)
1232416-25-9

>  <URL> (254)
http://www.selleckchem.com/products/ve-822.html

$$$$
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487021-52-3

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http://www.selleckchem.com/products/ar-a014418.html

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ME0328

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PARP

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Free Base

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1445251-22-8

>  <URL> (256)
http://www.selleckchem.com/products/me0328.html

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csChFnd80/03022213362D

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1-Azakenpaullone

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>  <Target> (257)
GSK-3

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Free Base

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676596-65-9

>  <URL> (257)
http://www.selleckchem.com/products/1-azakenpaullone.html

$$$$
LM-3267.cdx
csChFnd80/03022213362D

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C19H23N3O3

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N/A

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Nexturastat A

>  <Form> (258)
Free Base

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1403783-31-2

>  <URL> (258)
http://www.selleckchem.com/products/nexturastat-a.html

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MNK

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522629-08-9

>  <URL> (259)
http://www.selleckchem.com/products/cgp57380.html

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Free Base

>  <CAS> (260)
89464-63-1

>  <URL> (260)
http://www.selleckchem.com/products/dmog.html

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p38 MAPK

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585543-15-3

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913822-46-5

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>  <Form> (269)
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1456632-40-8

>  <URL> (269)
http://www.selleckchem.com/products/sh-4-54.html

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>  <Synonyms> (270)
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mTOR

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>  <URL> (270)
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$$$$
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csChFnd80/03022213362D

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C24H18N4O

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PKC

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Free Base

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136194-77-9

>  <URL> (271)
http://www.selleckchem.com/products/go6976.html

$$$$
IM-12.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (272)
2854

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C22H20FN3O2

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IM-12

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N/A

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GSK-3

>  <Form> (272)
Free Base

>  <CAS> (272)
1129669-05-1

>  <URL> (272)
http://www.selleckchem.com/products/im-12.html

$$$$
CAY10683 (Santacruzamate A).cdx
csChFnd80/03022213362D

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2863

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C15H22N2O3

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S7595

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Santacruzamate A (CAY10683)

>  <Synonyms> (273)
N/A

>  <Target> (273)
HDAC

>  <Form> (273)
Free Base

>  <CAS> (273)
1477949-42-0

>  <URL> (273)
http://www.selleckchem.com/products/santacruzamate-a-cay10683.html

$$$$
Tasquinimod .cdx
csChFnd80/03022213362D

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>  <Mol_ID> (274)
2879

>  <Formula> (274)
C20H17F3N2O4

>  <MolWeight> (274)
406.3551896

>  <Cat> (274)
S7617

>  <Name> (274)
Tasquinimod

>  <Synonyms> (274)
ABR-215050

>  <Target> (274)
HDAC

>  <Form> (274)
Free Base

>  <CAS> (274)
254964-60-8

>  <URL> (274)
http://www.selleckchem.com/products/tasquinimod.html

$$$$
Splitomicin.cdx
csChFnd80/03022213362D

 15 17  0  0  0  0  0  0  0  0999 V2000
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2886

>  <Formula> (275)
C13H10O2

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198.2173

>  <Cat> (275)
S7593

>  <Name> (275)
Splitomicin

>  <Synonyms> (275)
N/A

>  <Target> (275)
Sirtuin

>  <Form> (275)
Free Base

>  <CAS> (275)
1384339

>  <URL> (275)
http://www.selleckchem.com/products/splitomicin.html

$$$$
URMC-099.cdx
csChFnd80/03022213362D

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312917-14-9

>  <URL> (280)
http://www.selleckchem.com/products/jnk-inhibitor-ix.html

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DTP3

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JNK

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Free Base

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no

>  <URL> (281)
http://www.selleckchem.com/products/dtp3.html

$$$$
PX-478 2HCl.cdx
csChFnd80/03022213362D

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2930

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C13H20Cl4N2O3

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S7612

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PX-478 2HCl

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N/A

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HIF

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Dihydrochlorid

>  <CAS> (282)
685898-44-6

>  <URL> (282)
http://www.selleckchem.com/products/px-478-2hcl.html

$$$$
CAY10603.cdx
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2934

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C22H30N4O6

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446.4968

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CAY10603

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N/A

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HDAC

>  <Form> (283)
Free Base

>  <CAS> (283)
1045792-66-2

>  <URL> (283)
http://www.selleckchem.com/products/cay10603.html

$$$$
Piperlongumine.cdx
csChFnd80/03022213362D

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ROS,CRM

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Free Base

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20069-09-4

>  <URL> (284)
http://www.selleckchem.com/products/piperlongumine.html

$$$$
AT13148.cdx
csChFnd80/03022213362D

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C17H16ClN3O

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1056901-62-2

>  <URL> (285)
http://www.selleckchem.com/products/at13148.html

$$$$
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NADPH oxidase

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1218942-37-0

>  <URL> (291)
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LY2584702 tosylate

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>  <Target> (293)
S6 Kinase

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Free Base

>  <CAS> (293)
1082949-68-5

>  <URL> (293)
http://www.selleckchem.com/products/ly2584702-tosylate.html

$$$$
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Anisomycin

>  <Synonyms> (299)
Flagecidin 

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JNK

>  <Form> (299)
Free Base

>  <CAS> (299)
22862-76-6

>  <URL> (299)
http://www.selleckchem.com/products/anisomycin.html

$$$$
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mTOR

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Free Base

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326914-06-1

>  <URL> (300)
http://www.selleckchem.com/products/mhy1485.html

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1435488-37-1

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http://www.selleckchem.com/products/erk5-in-1.html

$$$$
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945614-12-0

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Raf

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Free Base

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1454682-72-4

>  <URL> (304)
http://www.selleckchem.com/products/ly3009120.html

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926259-99-6

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M  END
>  <Mol_ID> (307)
3036

>  <Formula> (307)
C21H21F3IN3O2

>  <MolWeight> (307)
531.3100196

>  <Cat> (307)
S8041

>  <Name> (307)
Cobimetinib (GDC-0973, RG7420)

>  <Synonyms> (307)
XL518

>  <Target> (307)
MEK

>  <Form> (307)
Free Base

>  <CAS> (307)
934660-93-2

>  <URL> (307)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BVD-523.cdx
csChFnd80/03022213362D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (308)
3037

>  <Formula> (308)
C21H22Cl2N4O2

>  <MolWeight> (308)
433.33098

>  <Cat> (308)
S7854

>  <Name> (308)
Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (308)
N/A

>  <Target> (308)
ERK

>  <Form> (308)
Free Base

>  <CAS> (308)
869886-67-9

>  <URL> (308)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
Dorsomorphin.cdx
csChFnd80/03022213362D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (309)
3040

>  <Formula> (309)
C24H25N5O

>  <MolWeight> (309)
399.4882

>  <Cat> (309)
S7840

>  <Name> (309)
Dorsomorphin (Compound C)

>  <Synonyms> (309)
Compound C, BML-275

>  <Target> (309)
AMPK

>  <Form> (309)
Free Base

>  <CAS> (309)
866405-64-3

>  <URL> (309)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$
KC7F2.cdx
csChFnd80/03022213362D

 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (310)
3045

>  <Formula> (310)
C16H16Cl4N2O4S4

>  <MolWeight> (310)
570.38124

>  <Cat> (310)
S7946

>  <Name> (310)
KC7F2

>  <Synonyms> (310)
N/A

>  <Target> (310)
HIF

>  <Form> (310)
Free Base

>  <CAS> (310)
927822-86-4

>  <URL> (310)
http://www.selleckchem.com/products/kc7f2.html

$$$$

csChFnd80/03022213362D

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896720-20-0

>  <URL> (315)
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PI3K

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Free Base

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934493-76-2

>  <URL> (316)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

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3085

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C27H34N4O5

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N/A

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PARP

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Free Base

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1419949-20-4

>  <URL> (317)
http://www.selleckchem.com/products/nvp-tnks656.html

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1627709-94-7

>  <URL> (318)
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HIF

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223387-75-5

>  <URL> (319)
http://www.selleckchem.com/products/fg-2216.html

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1154028-82-6

>  <URL> (320)
http://www.selleckchem.com/products/molidustat-(bay85-3934).html

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1198097-97-0

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

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STA-21.cdx
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111540-00-2

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http://www.selleckchem.com/products/sta-21.html

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960539-70-2

>  <URL> (323)
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1228013-30-6

>  <URL> (324)
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AMPK

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738606-46-7

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1254036-66-2

>  <URL> (335)
http://www.selleckchem.com/products/gsk2292767.html

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Niraparib tosylate, MK 4827 tosylate

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PARP

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4-?methylbenzen

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1038915-73-9

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HDAC

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Free Base

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200626-61-5

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http://www.selleckchem.com/products/itsa-1-itsa1.html

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M  END
>  <Mol_ID> (338)
3220

>  <Formula> (338)
C23H26N4O3

>  <MolWeight> (338)
406.47754

>  <Cat> (338)
S8322

>  <Name> (338)
LY3023414

>  <Synonyms> (338)
GTPL8918

>  <Target> (338)
Akt

>  <Form> (338)
Free Base

>  <CAS> (338)
1386874-06-1

>  <URL> (338)
http://www.selleckchem.com/products/ly3023414.html

$$$$
LY333531.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (339)
3233

>  <Formula> (339)
C28H29ClN4O3

>  <MolWeight> (339)
505.00786

>  <Cat> (339)
S7663

>  <Name> (339)
LY333531 HCl

>  <Synonyms> (339)
Ruboxistaurin

>  <Target> (339)
PKC

>  <Form> (339)
hydrochloride

>  <CAS> (339)
169939-93-9

>  <URL> (339)
http://www.selleckchem.com/products/ly333531.html

$$$$
S4712 Diethylmaleate.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (340)
3241

>  <Formula> (340)
C8H12O4

>  <MolWeight> (340)
172.17848

>  <Cat> (340)
S4712

>  <Name> (340)
Diethylmaleate

>  <Target> (340)
Others

>  <Form> (340)
Free Base

>  <CAS> (340)
141-05-9

>  <URL> (340)
http://www.selleckchem.com/products/diethylmaleate.html

$$$$
AZD8835.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (341)
3248

>  <Formula> (341)
C22H31N9O3

>  <MolWeight> (341)
469.54004

>  <Cat> (341)
S7966

>  <Name> (341)
AZD8835

>  <Synonyms> (341)
N/A

>  <Target> (341)
PI3K

>  <Form> (341)
Free Base

>  <CAS> (341)
1620576-64-8

>  <URL> (341)
http://www.selleckchem.com/products/azd8835.html

$$$$
Necrosulfonamide.cdx
csChFnd80/03022213362D

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C18H15N5O6S2

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Necrosulfonamide

>  <Synonyms> (342)
N/A

>  <Target> (342)
Others

>  <Form> (342)
Free Base

>  <CAS> (342)
1360614-48-7

>  <URL> (342)
http://www.selleckchem.com/products/necrosulfonamide.html

$$$$
APS-2-79.cdx
csChFnd80/03022213362D

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3256

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C23H22ClN3O3

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S8355

>  <Name> (343)
APS-2-79 HCl

>  <Synonyms> (343)
N/A

>  <Target> (343)
MEK

>  <Form> (343)
hydrochloride

>  <CAS> (343)
2002381-31-7

>  <URL> (343)
http://www.selleckchem.com/products/aps-2-79.html

$$$$
Deguelin.cdx
csChFnd80/03022213362D

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C23H22O6

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Deguelin

>  <Synonyms> (344)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (344)
Akt

>  <Form> (344)
Free Base

>  <CAS> (344)
522-17-8

>  <URL> (344)
http://www.selleckchem.com/products/deguelin.html

$$$$
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csChFnd80/03022213362D

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>  <Name> (345)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (345)
N/A

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VEGFR

>  <Form> (345)
Free Base

>  <CAS> (345)
861875-60-7

>  <URL> (345)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (346)
3274

>  <Formula> (346)
C19H20F2N4O4

>  <MolWeight> (346)
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>  <Cat> (346)
S8125

>  <Name> (346)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (346)
N/A

>  <Target> (346)
p38 MAPK

>  <Form> (346)
Free Base

>  <CAS> (346)
449811-01-2

>  <URL> (346)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
BGP-15.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (347)
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>  <Formula> (347)
C14H24Cl2N4O2

>  <MolWeight> (347)
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>  <Cat> (347)
S8370

>  <Name> (347)
BGP-15 2HCl

>  <Synonyms> (347)
N/A

>  <Target> (347)
PARP

>  <Form> (347)
dihydrochloride

>  <CAS> (347)
66611-37-8

>  <URL> (347)
http://www.selleckchem.com/products/bgp-15.html

$$$$
GDC-0084.cdx
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>  <Mol_ID> (348)
3299

>  <Formula> (348)
C18H22N8O2

>  <MolWeight> (348)
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>  <Cat> (348)
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>  <Name> (348)
GDC-0084

>  <Synonyms> (348)
N/A

>  <Target> (348)
PI3K

>  <Form> (348)
Free Base

>  <CAS> (348)
1382979-44-3

>  <URL> (348)
http://www.selleckchem.com/products/gdc-0084.html

$$$$
CC-115.cdx
csChFnd80/03022213362D

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>  <Formula> (349)
C16H16N8O

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CC-115

>  <Synonyms> (349)
N/A

>  <Target> (349)
DNA-PK

>  <Form> (349)
Free Base

>  <CAS> (349)
1228013-15-7

>  <URL> (349)
http://www.selleckchem.com/products/cc-115.html

$$$$
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N/A

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mTOR

>  <Form> (350)
Free Base

>  <CAS> (350)
1429639-50-8

>  <URL> (350)
http://www.selleckchem.com/products/cz415.html

$$$$
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3325

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C26H28N6O

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GSK2269557

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Nemiralisib

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PI3K

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Free Base

>  <CAS> (351)
1254036-71-9

>  <URL> (351)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
GSK583.cdx
csChFnd80/03022213362D

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3334

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C20H19FN4O2S

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S8261

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GSK583

>  <Synonyms> (352)
N/A

>  <Target> (352)
NF-¦ÊB

>  <Form> (352)
Free Base

>  <CAS> (352)
1346547-00-9

>  <URL> (352)
http://www.selleckchem.com/products/gsk583.html

$$$$
ARQ 092.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (353)
3337

>  <Formula> (353)
C27H25ClN6

>  <MolWeight> (353)
468.9806

>  <Cat> (353)
S8339

>  <Name> (353)
Miransertib (ARQ 092)HCl

>  <Synonyms> (353)
Miransertib

>  <Target> (353)
Akt

>  <Form> (353)
hydrochloride

>  <CAS> (353)
1313883-00-9

>  <URL> (353)
http://www.selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (354)
3339

>  <Formula> (354)
C21H25N7O

>  <MolWeight> (354)
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>  <Cat> (354)
S8456

>  <Name> (354)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (354)
N/A

>  <Target> (354)
PI3K

>  <Form> (354)
Free Base

>  <CAS> (354)
1383716-46-8

>  <URL> (354)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
BP-1-102.cdx
csChFnd80/03022213362D

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C29H27F5N2O6S

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BP-1-102

>  <Synonyms> (355)
N/A

>  <Target> (355)
STAT

>  <Form> (355)
Free Base

>  <CAS> (355)
1334493-07-0

>  <URL> (355)
http://www.selleckchem.com/products/bp-1-102.html

$$$$
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>  <Mol_ID> (356)
3342

>  <Formula> (356)
C21H21ClN2O2S

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>  <Cat> (356)
S7652

>  <Name> (356)
OTS514 hydrochloride

>  <Synonyms> (356)
N/A

>  <Target> (356)
TOPK

>  <Form> (356)
hydrochloride

>  <CAS> (356)
1338540-63-8(free base)

>  <URL> (356)
http://www.selleckchem.com/products/ots514.html

$$$$
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>  <Formula> (357)
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>  <MolWeight> (357)
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eFT-508 (eFT508)

>  <Synonyms> (357)
N/A

>  <Target> (357)
MNK

>  <Form> (357)
Free Base

>  <CAS> (357)
1849590-01-7

>  <URL> (357)
http://www.selleckchem.com/products/eft-508.html

$$$$
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>  <Mol_ID> (358)
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SH5-07 (SH-5-07)

>  <Synonyms> (358)
N/A

>  <Target> (358)
STAT

>  <Form> (358)
Free Base

>  <CAS> (358)
1456632-41-9

>  <URL> (358)
http://www.selleckchem.com/products/sh5-07.html

$$$$
S7743-CCT196969.cdx
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1163719-56-9

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http://www.selleckchem.com/products/cct196969.html

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HIF

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Free Base

>  <CAS> (360)
170632-47-0

>  <URL> (360)
http://www.selleckchem.com/products/lificiguat-yc-1.html

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HDAC

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Free Base

>  <CAS> (361)
1316215-12-9

>  <URL> (361)
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$$$$
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>  <CAS> (362)
1140964-99-3

>  <URL> (362)
http://www.selleckchem.com/products/e7449.html

$$$$
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1532533-67-7

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HIF

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1187990-87-9
1187990-87-9
1187990-87-9

>  <URL> (364)
http://www.selleckchem.com/products/mk-8617.html

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dihydrochloride

>  <CAS> (365)
1338545-07-5(HCl salt)

>  <URL> (365)
http://www.selleckchem.com/products/ots964.html

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JNK

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hydrochloride

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899805-25-5 (free base)

>  <URL> (366)
http://www.selleckchem.com/products/cc-930.html

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PARP

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Free Base

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1262417-51-5

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http://www.selleckchem.com/products/nms-p118.html

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>  <Target> (368)
DNA-PK

>  <Form> (368)
Free Base

>  <CAS> (368)
1943733-16-1

>  <URL> (368)
http://www.selleckchem.com/products/yu238259.html

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DNA-PK

>  <Form> (369)
free base

>  <CAS> (369)
1879887-96-3

>  <URL> (369)
http://www.selleckchem.com/products/lturm34.html

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AD80.cdx
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N/A

>  <Target> (370)
Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

>  <Form> (370)
free base

>  <CAS> (370)
1384071-99-1

>  <URL> (370)
http://www.selleckchem.com/products/ad80.html

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1282514-88-8

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1314891-22-9

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890405-51-3

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http://www.selleckchem.com/products/3bdo.html

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C19H17NO5S

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N/A

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free base

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1174428-47-7

>  <URL> (375)
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IPI-549.cdx
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C30H24N8O2

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N/A

>  <Target> (376)
PI3K¦Ã

>  <CAS> (376)
1693758-51-8

>  <URL> (376)
http://www.selleckchem.com/products/ipi-549.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
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C19H17N5O3

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N/A

>  <Target> (377)
PI3K¦Á 

>  <Form> (377)
Free base

>  <CAS> (377)
1268454-23-4

>  <URL> (377)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

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HJC0152.cdx
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STAT3

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hydrochloride

>  <CAS> (378)
1420290-99-8

>  <URL> (378)
http://www.selleckchem.com/products/hjc0152.html

$$$$
Autophinib.cdx
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1644443-47-9

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free base

>  <CAS> (380)
934593-90-5

>  <URL> (380)
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>  <Target> (381)
HDAC3,HDAC10,HDAC1,HDAC2 

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>  <CAS> (381)
743420-02-2

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

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1951483-29-6

>  <URL> (382)
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csChFnd80/03022213362D

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>  <URL> (383)
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>  <Mol_ID> (384)
3469

>  <Formula> (384)
C19H16ClNO3

>  <MolWeight> (384)
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>  <Cat> (384)
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PF-06409577

>  <Synonyms> (384)
N/A

>  <Target> (384)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (384)
free base

>  <CAS> (384)
1467057-23-3

>  <URL> (384)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/03022213362D

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>  <Mol_ID> (385)
3482

>  <Formula> (385)
C12H8ClI

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>  <Name> (385)
Diphenyleneiodonium chloride (DPI)

>  <Synonyms> (385)
N/A

>  <Target> (385)
NADPH oxidase

>  <Form> (385)
chloride

>  <CAS> (385)
4673-26-1

>  <URL> (385)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

$$$$
ACY-738.cdx
csChFnd80/03022213362D

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C14H14N4O2

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ACY-738

>  <Synonyms> (386)
N/A

>  <Target> (386)
HDAC6

>  <Form> (386)
free base

>  <CAS> (386)
1375465-91-0

>  <URL> (386)
http://www.selleckchem.com/products/acy-738.html

$$$$
C188-9.cdx
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3501

>  <Formula> (387)
C27H21NO5S

>  <MolWeight> (387)
471.52434

>  <Cat> (387)
S8605

>  <Name> (387)
C188-9

>  <Synonyms> (387)
N/A

>  <Target> (387)
STAT3

>  <Form> (387)
free base

>  <CAS> (387)
432001-19-9

>  <URL> (387)
http://www.selleckchem.com/products/c188-9.html

$$$$
IPI-3063.cdx
csChFnd80/03022213362D

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IPI-3063

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N/A

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p110¦Ä

>  <Form> (388)
free base

>  <CAS> (388)
1425043-73-7

>  <URL> (388)
http://www.selleckchem.com/products/ipi-3063.html

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M  END
>  <Mol_ID> (389)
3582

>  <Formula> (389)
C15H10O5

>  <MolWeight> (389)
270.2369

>  <Cat> (389)
S8696

>  <Name> (389)
2-D08
2-D08

>  <Synonyms> (389)
2',3',4'-trihydroxy flavone

>  <Target> (389)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (389)
free base

>  <CAS> (389)
144707-18-6

>  <URL> (389)
http://selleckchem.com/products/2-d08.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (390)
3624

>  <Formula> (390)
C21H17ClF4N4O4

>  <MolWeight> (390)
500.8306928

>  <Cat> (390)
S5077

>  <Name> (390)
Regorafenib Monohydrate

>  <Synonyms> (390)
N/A

>  <Target> (390)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (390)
monohydrate

>  <CAS> (390)
1019206-88-2

>  <URL> (390)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
S5304 2-Acetylphenothiazine.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (391)
3634

>  <Formula> (391)
C14H11NOS

>  <MolWeight> (391)
241.30824

>  <Cat> (391)
S5304

>  <Name> (391)
2-Acetylphenothiazine (ML171)

>  <Synonyms> (391)
2-APT

>  <Target> (391)
NADPH-oxidase

>  <Form> (391)
free base

>  <CAS> (391)
6631-94-3

>  <URL> (391)
http://selleckchem.com/products/2-acetylphenothiazine-ml171.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/03022213362D

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>  <Mol_ID> (392)
3658

>  <Formula> (392)
C23H18FN5O2

>  <MolWeight> (392)
415.4197232

>  <Cat> (392)
S8672

>  <Name> (392)
Tenalisib (RP6530)

>  <Synonyms> (392)
N/A

>  <Target> (392)
PI3K

>  <Form> (392)
free base

>  <CAS> (392)
1639417-53-0

>  <URL> (392)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
RAF709.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (393)
3672

>  <Formula> (393)
C28H29F3N4O4

>  <MolWeight> (393)
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>  <Cat> (393)
S8690

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RAF709

>  <Synonyms> (393)
N/A

>  <Target> (393)
Raf

>  <Form> (393)
free base

>  <CAS> (393)
1628838-42-5

>  <URL> (393)
http://selleckchem.com/products/raf709.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (394)
3714

>  <Formula> (394)
C10H16N5O8P

>  <MolWeight> (394)
365.236501

>  <Cat> (394)
S5284

>  <Name> (394)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (394)
5'-Adenylic acid, 5'-AMP

>  <Target> (394)
AMPK

>  <Form> (394)
hydrate 

>  <CAS> (394)
18422-05-4

>  <URL> (394)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5313 SC66.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (395)
3735

>  <Formula> (395)
C18H16N2O

>  <MolWeight> (395)
276.33244

>  <Cat> (395)
S5313

>  <Name> (395)
SC66

>  <Synonyms> (395)
N/A

>  <Target> (395)
Akt

>  <Form> (395)
free base

>  <CAS> (395)
871361-88-5

>  <URL> (395)
http://selleckchem.com/products/sc66.html

$$$$
AZD1390.cdx
csChFnd80/03022213362D

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>  <Mol_ID> (396)
3741

>  <Formula> (396)
C27H32FN5O2

>  <MolWeight> (396)
477.5736832

>  <Cat> (396)
S8680

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AZD1390

>  <Synonyms> (396)
N/A

>  <Target> (396)
ATM/ATR

>  <Form> (396)
free base

>  <CAS> (396)
2089288-03-7

>  <URL> (396)
http://selleckchem.com/products/azd1390.html

$$$$
GSK'963.cdx
csChFnd80/03022213362D

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3792

>  <Formula> (397)
C14H18N2O

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>  <Cat> (397)
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GSK'963

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N/A

>  <Target> (397)
NF-¦ÊB,TNF-alpha

>  <Form> (397)
free base

>  <CAS> (397)
2049868-46-2

>  <URL> (397)
http://selleckchem.com/products/gsk963.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (398)
3815

>  <Formula> (398)
C24H24F3N5O5S3

>  <MolWeight> (398)
615.6680696

>  <Cat> (398)
S5069

>  <Name> (398)
Dabrafenib Mesylate

>  <Synonyms> (398)
GSK2118436 Mesylate

>  <Target> (398)
Raf

>  <Form> (398)
mesylate

>  <CAS> (398)
1195768-06-9

>  <URL> (398)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (399)
3879

>  <Formula> (399)
C12H9ClO2S

>  <MolWeight> (399)
252.71666

>  <Cat> (399)
S5438

>  <Name> (399)
Biphenyl-4-sulfonyl chloride

>  <Synonyms> (399)
p-Phenylbenzenesulfonyl chloride, 4-Phenylbenzenesulfonyl chloride, p-Biphenylsulfonyl chloride

>  <Target> (399)
HDAC

>  <Form> (399)
free base

>  <CAS> (399)
1623-93-4

>  <URL> (399)
http://selleckchem.com/products/biphenyl-4-sulfonyl-chloride.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/03022213362D

 10 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (400)
3880

>  <Formula> (400)
C8H6BrN

>  <MolWeight> (400)
196.04394

>  <Cat> (400)
S5439

>  <Name> (400)
5-Bromoindole

>  <Synonyms> (400)
N/A

>  <Target> (400)
GSK-3

>  <Form> (400)
free base

>  <CAS> (400)
10075-50-0

>  <URL> (400)
http://selleckchem.com/products/5-bromoindole.html

$$$$
UM-164.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (401)
3977

>  <Formula> (401)
C30H31F3N8O3S

>  <MolWeight> (401)
640.6791496

>  <Cat> (401)
S8706

>  <Name> (401)
UM-164

>  <Synonyms> (401)
N/A

>  <Target> (401)
Src,p38 MAPK

>  <Form> (401)
free base

>  <CAS> (401)
903564-48-7

>  <URL> (401)
http://selleckchem.com/products/um-164.html

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/03022213362D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (402)
4078

>  <Formula> (402)
C8H6N2O

>  <MolWeight> (402)
146.14604

>  <Cat> (402)
S9360

>  <Name> (402)
4-Hydroxyquinazoline

>  <Form> (402)
free base

>  <CAS> (402)
491-36-1

$$$$

csChFnd80/03022213362D

 14 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (403)
4176

>  <Formula> (403)
C8H16N2O4

>  <MolWeight> (403)
204.22364

>  <Cat> (403)
S5905

>  <Name> (403)
Suberohydroxamic acid

>  <Synonyms> (403)
suberic bishydroxamic acid

>  <Target> (403)
HDAC

>  <Form> (403)
Free Base

>  <CAS> (403)
38937-66-5

>  <URL> (403)
http://www.selleckchem.com/products/suberohydroxamic-acid.html

$$$$

csChFnd80/03022213362D

 38 43  0  0  0  0  0  0  0  0999 V2000
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1393466-87-9

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>  <Mol_ID> (405)
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>  <Formula> (405)
C17H12F3NO4S

>  <MolWeight> (405)
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>  <Cat> (405)
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>  <Target> (405)
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1672665-49-4

>  <URL> (405)
http://www.selleckchem.com/products/pt2385.html

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>  <Formula> (406)
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>  <MolWeight> (406)
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>  <Synonyms> (406)
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>  <Target> (406)
ATM/ATR

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Free Base

>  <CAS> (406)
2088113-98-6

>  <URL> (406)
http://www.selleckchem.com/products/az31.html

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4211

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>  <Synonyms> (407)
N/A

>  <Target> (407)
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>  <CAS> (407)
1362850-20-1

>  <URL> (407)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

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    5.6197    3.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0120    2.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8731    5.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8078    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1516    0.3926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6825    1.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080    3.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  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  2  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  4 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
  1 20  1  1  0  0  0
 19 21  2  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <Mol_ID> (408)
4212

>  <Formula> (408)
C16H15FN4O

>  <MolWeight> (408)
298.3149032

>  <Cat> (408)
S8592

>  <Name> (408)
Pamiparib (BGB-290)

>  <Synonyms> (408)
N/A

>  <Target> (408)
PARP

>  <Form> (408)
Free Base

>  <CAS> (408)
1446261-44-4

>  <URL> (408)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/03022213362D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6709    5.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 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> (409)
4215

>  <Formula> (409)
C24H18ClN3O3

>  <MolWeight> (409)
431.87102

>  <Cat> (409)
S8654

>  <Name> (409)
ex229 (compound 991)

>  <Synonyms> (409)
N/A

>  <Target> (409)
AMPK

>  <Form> (409)
Free Base

>  <CAS> (409)
1219739-36-2

>  <URL> (409)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/03022213362D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (410)
4223

>  <Formula> (410)
C20H16N4O

>  <MolWeight> (410)
328.36724

>  <Cat> (410)
S8729

>  <Name> (410)
AZ32

>  <Synonyms> (410)
N/A

>  <Target> (410)
ATM/ATR

>  <Form> (410)
Free Base

>  <CAS> (410)
No CAS

>  <URL> (410)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/03022213362D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  7  1  0  0  0  0
  8 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
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 24  8  1  0  0  0  0
 14 25  1  0  0  0  0
 12 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (411)
4225

>  <Formula> (411)
C17H20F3N7O2

>  <MolWeight> (411)
411.3816096

>  <Cat> (411)
S8738

>  <Name> (411)
Bimiralisib (PQR309)

>  <Synonyms> (411)
N/A

>  <Target> (411)
PI3K

>  <Form> (411)
Free Base

>  <CAS> (411)
1225037-39-7

>  <URL> (411)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/03022213362D

 36 39  0  0  0  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
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 32 23  1  0  0  0  0
  6 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (412)
4228

>  <Formula> (412)
C25H25F3N4O4

>  <MolWeight> (412)
502.4856096

>  <Cat> (412)
S8745

>  <Name> (412)
LXH254

>  <Synonyms> (412)
N/A

>  <Target> (412)
Raf

>  <Form> (412)
Free Base

>  <CAS> (412)
1800398-38-2

>  <URL> (412)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/03022213362D

 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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  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 14 18  1  0  0  0  0
 19 18  1  6  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 19  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  2 28  1  0  0  0  0
 28 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
M  END
>  <Mol_ID> (413)
4231

>  <Formula> (413)
C21H25F3N6O2

>  <MolWeight> (413)
450.4574096

>  <Cat> (413)
S8752

>  <Name> (413)
leniolisib(CDZ 173)

>  <Synonyms> (413)
N/A

>  <Target> (413)
PI3K

>  <Form> (413)
Free Base

>  <CAS> (413)
1354690-24-6

>  <URL> (413)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/03022213362D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.3587    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5711    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1463    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4209    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2706    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9338    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
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 22 23  1  0  0  0  0
 23  8  1  0  0  0  0
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 25 27  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (414)
4240

>  <Formula> (414)
C23H32N2O2

>  <MolWeight> (414)
368.51238

>  <Cat> (414)
S8771

>  <Name> (414)
IDF-11774

>  <Synonyms> (414)
N/A

>  <Target> (414)
HIF

>  <Form> (414)
Free Base

>  <CAS> (414)
1429054-28-3

>  <URL> (414)
http://www.selleckchem.com/products/idf-11774.html

$$$$
S9034 Isochlorogenic acid C.cdx
csChFnd80/03022213362D

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.2783    4.1964    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4910    3.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7032    4.1973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7027    5.5973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4900    6.2969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2778    5.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8995    4.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9149    6.2978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7661    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1910    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1905    3.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9778    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4037    1.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9794    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  1  7  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 11 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
 13 15  1  0  0  0  0
 10 11  1  0  0  0  0
  4 10  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 24 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 28 33  2  0  0  0  0
 31 34  1  0  0  0  0
 30 35  1  0  0  0  0
 26 28  1  0  0  0  0
 23 24  1  0  0  0  0
  3 23  1  6  0  0  0
  5 36  1  1  0  0  0
  1 37  1  6  0  0  0
M  END
>  <Mol_ID> (415)
4254

>  <Formula> (415)
C25H24O12

>  <MolWeight> (415)
516.45086

>  <Cat> (415)
S9034

>  <Name> (415)
Isochlorogenic acid C

>  <Form> (415)
free base

>  <CAS> (415)
57378-72-0

$$$$

csChFnd80/03022213362D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
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 20 22  1  1  0  0  0
 22 23  1  0  0  0  0
 13 21  1  0  0  0  0
 13  4  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
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 36 37  1  0  0  0  0
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 38 39  1  0  0  0  0
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 42 43  2  0  0  0  0
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 49 50  1  0  0  0  0
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 30 51  1  0  0  0  0
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 39 53  1  6  0  0  0
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 24  1  1  1  0  0  0
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 30 55  1  6  0  0  0
 50 56  1  6  0  0  0
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 47 59  1  1  0  0  0
M  END
>  <Mol_ID> (420)
4579

>  <Formula> (420)
C42H72O13

>  <MolWeight> (420)
785.01328

>  <Cat> (420)
S9021

>  <Name> (420)
(20R)Ginsenoside Rg3

>  <Form> (420)
free base

>  <CAS> (420)
38243-03-7

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/03022213362D

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M  END
>  <Mol_ID> (421)
4652

>  <Formula> (421)
C20H21N3O2

>  <MolWeight> (421)
335.39964

>  <Cat> (421)
S8049

>  <Name> (421)
Tubastatin A

>  <Target> (421)
others

>  <CAS> (421)
1252003-15-8

>  <URL> (421)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

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M  END
>  <Mol_ID> (422)
4797

>  <Formula> (422)
C11H15BrN2O

>  <MolWeight> (422)
271.1536

>  <Cat> (422)
S5810

>  <Name> (422)
UF010

>  <Synonyms> (422)
N/A

>  <Target> (422)
HDAC

>  <Form> (422)
Free Base

>  <CAS> (422)
537672-41-6 

>  <URL> (422)
http://www.selleckchem.com/products/uf010.html

$$$$

csChFnd80/03022213362D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (423)
4804

>  <Formula> (423)
C21H16FN7O

>  <MolWeight> (423)
401.3964432

>  <Cat> (423)
S5818

>  <Name> (423)
acalisib (GS-9820)

>  <Synonyms> (423)
CAL-120

>  <Target> (423)
PI3K

>  <Form> (423)
Free Base

>  <CAS> (423)
870281-34-8

>  <URL> (423)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/03022213362D

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M  END
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>  <Target> (424)
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2196203-96-8

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csChFnd80/03022213362D

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M  END
>  <Mol_ID> (425)
4825

>  <Formula> (425)
C22H21F3N6O2

>  <MolWeight> (425)
458.4363496

>  <Cat> (425)
S8801

>  <Name> (425)
CC-90003

>  <Synonyms> (425)
N/A

>  <Target> (425)
ERK

>  <Form> (425)
Free Base

>  <CAS> (425)
1621999-82-3

>  <URL> (425)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/03022213362D

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4826

>  <Formula> (426)
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>  <MolWeight> (426)
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>  <Cat> (426)
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>  <Name> (426)
MK-3903

>  <Synonyms> (426)
N/A

>  <Target> (426)
AMPK

>  <Form> (426)
Free Base

>  <CAS> (426)
1219737-12-8

>  <URL> (426)
http://www.selleckchem.com/products/mk-3903.html

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5125

>  <Formula> (427)
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>  <MolWeight> (427)
451.5197

>  <Cat> (427)
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>  <Name> (427)
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>  <Synonyms> (427)
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>  <Form> (427)
free base

>  <CAS> (427)
942507-42-8

>  <URL> (427)
http://www.selleck.cn/products/az304.html

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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  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 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
>  <Mol_ID> (428)
5177

>  <Formula> (428)
C21H19ClNO4+

>  <MolWeight> (428)
384.83286

>  <Cat> (428)
S1292

>  <Name> (428)
Chelerythrine Chloride

>  <Synonyms> (428)
N/A

>  <Target> (428)
PKC

>  <Form> (428)
Chloride

>  <CAS> (428)
3895-92-9

>  <URL> (428)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/03022213362D

 23 27  0  0  0  0  0  0  0  0999 V2000
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   10.1486    2.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
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 14 22  1  0  0  0  0
 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (429)
5197

>  <Formula> (429)
C19H17N3O

>  <MolWeight> (429)
303.35778

>  <Cat> (429)
S2382

>  <Name> (429)
Evodiamine

>  <Synonyms> (429)
Isoevodiamine

>  <Target> (429)
NF-¦ÊB

>  <Form> (429)
Free Base

>  <CAS> (429)
518-17-2

>  <URL> (429)
http://www.selleck.cn/products/Evodiamine(Isoevodiamine).html

$$$$

csChFnd80/03022213362D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (430)
5204

>  <Formula> (430)
C13H8Cl2N2O4

>  <MolWeight> (430)
327.11962

>  <Cat> (430)
S3030

>  <Name> (430)
Niclosamide

>  <Synonyms> (430)
Niclocide

>  <Target> (430)
STAT

>  <Form> (430)
Free Base

>  <CAS> (430)
50-65-7

>  <URL> (430)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

csChFnd80/03022213362D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.8361    6.2779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    6.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    8.3698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    6.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    8.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2701    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.2895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  7  2  1  0  0  0  0
  3  4  2  0  0  0  0
  6  3  1  0  0  0  0
 12  4  1  0  0  0  0
  5  6  2  0  0  0  0
  9  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
  8  9  1  0  0  0  0
 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 23 10  2  0  0  0  0
 11 25  1  0  0  0  0
 11 24  1  0  0  0  0
 18 12  1  0  0  0  0
 16 13  1  0  0  0  0
 14 17  1  0  0  0  0
 28 14  2  0  0  0  0
 15 16  2  0  0  0  0
 19 15  1  0  0  0  0
 26 16  1  0  0  0  0
 17 18  1  0  0  0  0
 29 19  1  0  0  0  0
 19 27  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 22 26  2  0  0  0  0
 27 22  1  0  0  0  0
 23 30  1  0  0  0  0
 31 28  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (431)
5246

>  <Formula> (431)
C23H26N6O2

>  <MolWeight> (431)
418.49154

>  <Cat> (431)
S6414

>  <Name> (431)
Apilimod

>  <Synonyms> (431)
STA-5326

>  <Target> (431)
PI3K

>  <Form> (431)
Free Base

>  <CAS> (431)
541550-19-0

>  <URL> (431)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/03022213362D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    6.0330    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
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  7 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 22  7  2  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
>  <Mol_ID> (432)
5311

>  <Formula> (432)
C23H20FN7O

>  <MolWeight> (432)
429.4496032

>  <Cat> (432)
S8693

>  <Name> (432)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (432)
N/A

>  <Target> (432)
PI3K

>  <Form> (432)
Free Base

>  <CAS> (432)
2088525-31-7

>  <URL> (432)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/03022213362D

 50 56  0  0  0  0  0  0  0  0999 V2000
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   20.5979    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1702   13.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4702   11.8274    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
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 47 50  1  0  0  0  0
M  END
>  <Mol_ID> (433)
5312

>  <Formula> (433)
C37H41N9O3S

>  <MolWeight> (433)
691.84494

>  <Cat> (433)
S8701

>  <Name> (433)
MK-8353 (SCH900353)

>  <Synonyms> (433)
N/A

>  <Target> (433)
ERK

>  <Form> (433)
Free Base

>  <CAS> (433)
1184173-73-6

>  <URL> (433)
http://www.selleck.cn/products/mk-8353-sch900353.html

$$$$

csChFnd80/03022213362D

 27 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
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 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 11 19  1  0  0  0  0
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M  END
>  <Mol_ID> (434)
5316

>  <Formula> (434)
C19H28Cl2N4O2

>  <MolWeight> (434)
415.35722

>  <Cat> (434)
S8769

>  <Name> (434)
Tinostamustine(EDO-S101)

>  <Synonyms> (434)
N/A

>  <Target> (434)
HDAC

>  <Form> (434)
Free Base

>  <CAS> (434)
1236199-60-2

>  <URL> (434)
http://www.selleck.cn/products/tinostamustine.html

$$$$

csChFnd80/03022213362D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 12  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 16  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
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 13 17  1  0  0  0  0
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M  END
>  <Mol_ID> (435)
6594

>  <Formula> (435)
C16H15N3O2

>  <MolWeight> (435)
281.3092

>  <Cat> (435)
S6506

>  <Name> (435)
Compound 401

>  <Synonyms> (435)
N/A

>  <Target> (435)
DNA-PK

>  <Form> (435)
free base

>  <CAS> (435)
168425-64-7

>  <URL> (435)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/03022213362D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 18 23  1  0  0  0  0
 24 25  2  0  0  0  0
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 21 24  1  0  0  0  0
 17 18  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
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 28 33  1  0  0  0  0
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 14 34  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (436)
6602

>  <Formula> (436)
C21H28N8O3S2

>  <MolWeight> (436)
504.62882

>  <Cat> (436)
S6516

>  <Name> (436)
GNE-477

>  <Synonyms> (436)
N/A

>  <Target> (436)
PI3K

>  <Form> (436)
free base

>  <CAS> (436)
1032754-81-6

>  <URL> (436)
http://www.selleck.cn/products/gne-477.html

$$$$

csChFnd80/03022213362D

 38 42  0  0  0  0  0  0  0  0999 V2000
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>  <URL> (438)
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1513879-21-4

>  <URL> (439)
http://www.selleck.cn/products/bqr695.html

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1513879-19-0

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   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    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
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 27  1  0  0  0  0
  6 32  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  2  0  0  0  0
  9 23  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  2  0  0  0  0
 11 24  1  0  0  0  0
 12 23  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (441)
6638

>  <Formula> (441)
C20H25F3N6O3

>  <MolWeight> (441)
454.4461096

>  <Cat> (441)
S6577

>  <Name> (441)
PKC-theta inhibitor

>  <Synonyms> (441)
N/A

>  <Target> (441)
PKC

>  <Form> (441)
free base

>  <CAS> (441)
736048-65-0

>  <URL> (441)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/03022213362D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   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
    4.8497    2.1000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 O   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
  8 29  1  0  0  0  0
M  END
>  <Mol_ID> (442)
6658

>  <Formula> (442)
C21H24N4O4

>  <MolWeight> (442)
396.43966

>  <Cat> (442)
S8743

>  <Name> (442)
SKLB-23bb

>  <Synonyms> (442)
N/A

>  <Target> (442)
HDAC

>  <Form> (442)
free base

>  <CAS> (442)
1815580-06-3

>  <URL> (442)
http://www.selleck.cn/products/sklb-23bb.html

$$$$

csChFnd80/03022213362D

 33 37  0  0  0  0  0  0  0  0999 V2000
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   14.0152    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2277    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4401    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0774    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8650    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6525    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6525    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8650    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0774    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    2.9306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000    5.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  3  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 18 21  1  0  0  0  0
 15 18  1  0  0  0  0
 10 11  1  0  0  0  0
  4 10  1  0  0  0  0
  2  6  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 29 33  2  0  0  0  0
 28 30  2  0  0  0  0
  2 26  1  0  0  0  0
M  END
>  <Mol_ID> (443)
6666

>  <Formula> (443)
C25H23N5O2S

>  <MolWeight> (443)
457.54742

>  <Cat> (443)
S8867

>  <Name> (443)
Bentamapimod

>  <Synonyms> (443)
N/A

>  <Target> (443)
JNK

>  <Form> (443)
free base

>  <CAS> (443)
848344-36-5

>  <URL> (443)
http://www.selleck.cn/products/bentamapimod.html

$$$$
