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csChFnd80/10161910382D

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azd6244.cdx
csChFnd80/10161910382D

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CI1040.cdx
csChFnd80/10161910382D

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CI-1040 (PD184352)

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MEK 

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212631-79-3

>  <URL> (3)
http://www.selleckchem.com/products/CI-1040-(PD184352).html

$$$$
untitled.cdx
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>  <Mol_ID> (4)
13

>  <Formula> (4)
C53H84NO14P

>  <MolWeight> (4)
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>  <Cat> (4)
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>  <Name> (4)
Deforolimus (MK-8669) 

>  <Synonyms> (4)
AP23573, MK-8669

>  <Target> (4)
mTOR

>  <Form> (4)
Free Base

>  <CAS> (4)
572924-54-0

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

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (5)
19

>  <Formula> (5)
C21H23N3O2

>  <MolWeight> (5)
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>  <Cat> (5)
S1030

>  <Name> (5)
Panobinostat (LBH589)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
HDAC 

>  <Form> (5)
Free Base

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

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

$$$$
untitled.cdx
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>  <Mol_ID> (6)
23

>  <Formula> (6)
C16H14F3IN2O4

>  <MolWeight> (6)
482.1930396

>  <Cat> (6)
S1036

>  <Name> (6)
PD0325901

>  <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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csChFnd80/10161910382D

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>  <Mol_ID> (7)
25

>  <Formula> (7)
C18H20N2O3

>  <MolWeight> (7)
312.363

>  <Cat> (7)
S2244

>  <Name> (7)
AR-42 (HDAC-42)

>  <Synonyms> (7)
OSU-HDAC42

>  <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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>  <Mol_ID> (8)
26

>  <Formula> (8)
C19H16N4O3

>  <MolWeight> (8)
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>  <Cat> (8)
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>  <Name> (8)
PI-103

>  <Synonyms> (8)
N/A

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

>  <Form> (8)
Free Base

>  <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

$$$$

csChFnd80/10161910382D

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M  END
>  <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

$$$$
untitled.cdx
csChFnd80/10161910382D

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M  END
>  <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

$$$$
vorinostat.cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (12)
31

>  <Formula> (12)
C14H20N2O3

>  <MolWeight> (12)
264.3202

>  <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
csChFnd80/10161910382D

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M  END
>  <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
csChFnd80/10161910382D

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M  END
>  <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

$$$$
AZD2281.cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (15)
38

>  <Formula> (15)
C24H23FN4O3

>  <MolWeight> (15)
434.4628232

>  <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

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (16)
41

>  <Formula> (16)
C23H27N7O3S2

>  <MolWeight> (16)
513.63558

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S1065

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RG7321

>  <Target> (16)
PI3K 

>  <Form> (16)
Free Base

>  <CAS> (16)
957054-30-7

>  <URL> (16)
http://www.selleckchem.com/products/GDC-0941.html

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1.cdx
csChFnd80/10161910382D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (17)
44

>  <Formula> (17)
C19H21F2N7O2

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417.4125464

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S1072

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ZSTK474

>  <Synonyms> (17)
N/A

>  <Target> (17)
PI3K 

>  <Form> (17)
Free Base

>  <CAS> (17)
475110-96-4

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

$$$$
1.cdx
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 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (18)
45

>  <Formula> (18)
C19H12Cl2N2O2

>  <MolWeight> (18)
371.21678

>  <Cat> (18)
S1075

>  <Name> (18)
SB 216763

>  <Synonyms> (18)
N/A

>  <Target> (18)
GSK-3 

>  <Form> (18)
Free Base

>  <CAS> (18)
280744-09-4

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

$$$$
SB203580.cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (19)
46

>  <Formula> (19)
C21H16FN3OS

>  <MolWeight> (19)
377.4346432

>  <Cat> (19)
S1076

>  <Name> (19)
SB 203580

>  <Synonyms> (19)
N/A

>  <Target> (19)
p38 MAPK 

>  <Form> (19)
Free Base

>  <CAS> (19)
152121-47-6

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

$$$$
1.cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (20)
47

>  <Formula> (20)
C20H14FN3O

>  <MolWeight> (20)
331.3430632

>  <Cat> (20)
S1077

>  <Name> (20)
SB202190 (FHPI)

>  <Synonyms> (20)
N/A

>  <Target> (20)
p38 MAPK 

>  <Form> (20)
Free Base

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

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

$$$$

csChFnd80/10161910382D

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>  <Mol_ID> (21)
48

>  <Formula> (21)
C25H23Cl2N5O

>  <MolWeight> (21)
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>  <Cat> (21)
S1078

>  <Name> (21)
MK-2206 dihydrochloride

>  <Synonyms> (21)
N/A

>  <Target> (21)
Akt

>  <Form> (21)
Dihydrochloride

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

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

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (22)
52

>  <Formula> (22)
C15H14N2O4S

>  <MolWeight> (22)
318.34766

>  <Cat> (22)
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

$$$$
BSI-201.cdx
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M  END
>  <Mol_ID> (23)
53

>  <Formula> (23)
C7H5IN2O3

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S1087

>  <Name> (23)
Iniparib (BSI-201)

>  <Synonyms> (23)
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

$$$$
untitled.cdx
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>  <Mol_ID> (25)
56

>  <Formula> (25)
C21H17NO3S2

>  <MolWeight> (25)
395.49458

>  <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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C22H25N3O3

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LAQ824 (Dacinostat)

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NVP-LAQ824

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HDAC 

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Free Base

>  <CAS> (26)
404951-53-7

>  <URL> (26)
http://www.selleckchem.com/products/LAQ824(NVP-LAQ824).html

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60

>  <Formula> (27)
C19H21FN3O5P

>  <MolWeight> (27)
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S1098

>  <Name> (27)
Rucaparib (AG-014699,PF-01367338) phosphate

>  <Synonyms> (27)
AG-014447 

>  <Target> (27)
PARP 

>  <Form> (27)
Phosphate

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

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

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>  <Mol_ID> (28)
65

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C19H18N4O2

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GDC-0879

>  <Synonyms> (28)
N/A

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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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>  <Mol_ID> (29)
66

>  <Formula> (29)
C19H17NO3

>  <MolWeight> (29)
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>  <Cat> (29)
S1105

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LY294002

>  <Synonyms> (29)
N/A

>  <Target> (29)
PI3K 

>  <Form> (29)
Free Base

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

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

$$$$
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mTOR

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159351-69-6

>  <URL> (31)
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$$$$
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918505-84-7

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>  <Mol_ID> (35)
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N/A 

>  <Target> (35)
STAT

>  <Form> (35)
Free Base

>  <CAS> (35)
501919-59-1

>  <URL> (35)
http://www.selleckchem.com/products/S31-201.html

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>  <Mol_ID> (36)
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>  <Formula> (36)
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>  <MolWeight> (36)
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>  <Cat> (36)
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N/A

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PI3K

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Free Base

>  <CAS> (36)
663619-89-4

>  <URL> (36)
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167869-21-8

>  <URL> (37)
http://www.selleckchem.com/products/PD-98059.html

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120

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C24H26N4O4

>  <MolWeight> (38)
434.48764

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>  <Name> (38)
CUDC-101

>  <Synonyms> (38)
N/A

>  <Target> (38)
HDAC, EGFR, HER2

>  <Form> (38)
Free Base

>  <CAS> (38)
1012054-59-9

>  <URL> (38)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
KU-0063794.cdx
csChFnd80/10161910382D

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136

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C25H31N5O4

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465.54474

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S1226

>  <Name> (39)
Ku-0063794

>  <Synonyms> (39)
N/A

>  <Target> (39)
mTOR 

>  <Form> (39)
Free Base

>  <CAS> (39)
938440-64-3

>  <URL> (39)
http://www.selleckchem.com/products/KU-0063794.html

$$$$
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csChFnd80/10161910382D

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>  <Mol_ID> (40)
140

>  <Formula> (40)
C19H26O3

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S1233

>  <Name> (40)
2-Methoxyestradiol

>  <Synonyms> (40)
2-ME2

>  <Target> (40)
HIF

>  <Form> (40)
Free Base

>  <CAS> (40)
362-07-2

>  <URL> (40)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
WYE-354.cdx
csChFnd80/10161910382D

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158

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>  <Name> (41)
WYE-354

>  <Synonyms> (41)
N/A

>  <Target> (41)
mTOR 

>  <Form> (41)
Free Base

>  <CAS> (41)
1062169-56-5

>  <URL> (41)
http://www.selleckchem.com/products/WYE-354.html

$$$$
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677297-51-7

>  <URL> (43)
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129-56-6

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808118-40-3

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929016-96-6

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1009298-09-2

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http://www.selleckchem.com/products/AZD8055.html

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1191951-57-1

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857531-00-1

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391210-00-7 

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>  <Cat> (60)
S1570

>  <Name> (60)
KU-60019

>  <Synonyms> (60)
N/A

>  <Target> (60)
ATM 

>  <Form> (60)
Free Base

>  <CAS> (60)
925701-49-1

>  <URL> (60)
http://www.selleckchem.com/products/KU-60019.html

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/10161910382D

 39 43  0  0  0  0  0  0  0  0999 V2000
    8.3036    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    8.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    3.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    8.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3532    8.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5614    7.4376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    5.3400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6789    5.3400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4707    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    7.4327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244    7.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    7.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    6.5085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    5.4681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    8.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075   10.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0252   10.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9017    4.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    2.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    1.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421    3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5614    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7738    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    6.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7738    8.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0295    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
  3  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  4  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 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
 16 19  2  0  0  0  0
 18 20  2  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 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 14 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (61)
353

>  <Formula> (61)
C31H37N5O3

>  <MolWeight> (61)
527.65718

>  <Cat> (61)
S1574

>  <Name> (61)
BIRB 796 (Doramapimod)

>  <Synonyms> (61)
N/A

>  <Target> (61)
p38 MAPK

>  <Form> (61)
Free Base

>  <CAS> (61)
285983-48-4

>  <URL> (61)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/10161910382D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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> (62)
374

>  <Formula> (62)
C5H9NO3S

>  <MolWeight> (62)
163.19486

>  <Cat> (62)
S1623

>  <Name> (62)
Acetylcysteine

>  <Synonyms> (62)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (62)
AChR

>  <Form> (62)
Free Base

>  <CAS> (62)
616-91-1

>  <URL> (62)
http://www.selleckchem.com/products/Acetylcysteine.html

$$$$
ALLOPURINOL (allopurinol).cdx
csChFnd80/10161910382D

 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> (63)
380

>  <Formula> (63)
C5H4N4O

>  <MolWeight> (63)
136.11146

>  <Cat> (63)
S1630

>  <Name> (63)
Allopurinol (Zyloprim)

>  <Synonyms> (63)
Aloprim

>  <Target> (63)
Others

>  <Form> (63)
Free Base

>  <CAS> (63)
315-30-0

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

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/10161910382D

 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> (64)
381

>  <Formula> (64)
C5H4N4NaO+

>  <MolWeight> (64)
159.10123

>  <Cat> (64)
S1631

>  <Name> (64)
Allopurinol Sodium (Aloprim)

>  <Synonyms> (64)
 Lopurin, Zyloprim, Aloprim

>  <Target> (64)
Others

>  <Form> (64)
Sodium Salt

>  <CAS> (64)
17795-21-0

>  <URL> (64)
http://www.selleckchem.com/products/Allopurinol-Sodium(Aloprim).html

$$$$
Artesunate.cdx
csChFnd80/10161910382D

 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> (65)
391

>  <Formula> (65)
C19H28O8

>  <MolWeight> (65)
384.42082

>  <Cat> (65)
S2265

>  <Name> (65)
Artesunate

>  <Synonyms> (65)
N/A

>  <Target> (65)
STAT

>  <Form> (65)
Free Base

>  <CAS> (65)
88495-63-0

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

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/10161910382D

 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> (66)
422

>  <Formula> (66)
C16H31NaO4

>  <MolWeight> (66)
310.40471

>  <Cat> (66)
S1703

>  <Name> (66)
Divalproex sodium

>  <Synonyms> (66)
Depakote, Epival

>  <Target> (66)
HDAC

>  <Form> (66)
Sodium Salt

>  <CAS> (66)
76584-70-8

>  <URL> (66)
http://www.selleckchem.com/products/Divalproex-sodium.html

$$$$
Tangeretin.cdx
csChFnd80/10161910382D

 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
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   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
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    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> (67)
507

>  <Formula> (67)
C20H20O7

>  <MolWeight> (67)
372.3686

>  <Cat> (67)
S2363

>  <Name> (67)
Tangeretin (Tangeritin)

>  <Synonyms> (67)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (67)
ROS

>  <Form> (67)
Free Base

>  <CAS> (67)
481-53-8

>  <URL> (67)
http://www.selleckchem.com/products/Tangeretin(Tangeritin).html

$$$$
Indirubin.cdx
csChFnd80/10161910382D

 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
    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2683    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  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 11  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (68)
527

>  <Formula> (68)
C16H10N2O2

>  <MolWeight> (68)
262.2628

>  <Cat> (68)
S2386

>  <Name> (68)
Indirubin

>  <Synonyms> (68)
N/A

>  <Target> (68)
GSK-3

>  <Form> (68)
Free Base

>  <CAS> (68)
479-41-4 

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

$$$$
Quercetin.cdx
csChFnd80/10161910382D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    1.3951    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
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    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 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
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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
M  END
>  <Mol_ID> (69)
532

>  <Formula> (69)
C15H10O7

>  <MolWeight> (69)
302.2357

>  <Cat> (69)
S2391

>  <Name> (69)
Quercetin (Sophoretin)

>  <Synonyms> (69)
Meletin, Quercetine

>  <Target> (69)
PI3K, PKC, Src, Sirtuin

>  <Form> (69)
Free Base

>  <CAS> (69)
117-39-5

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

$$$$
AZD8330.cdx
csChFnd80/10161910382D

 25 26  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
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    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    1.3951    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
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
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 16 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 16 25  2  0  0  0  0
M  END
>  <Mol_ID> (70)
549

>  <Formula> (70)
C16H17FIN3O4

>  <MolWeight> (70)
461.2267532

>  <Cat> (70)
S2134

>  <Name> (70)
AZD8330

>  <Synonyms> (70)
N/A 

>  <Target> (70)
MEK

>  <Form> (70)
Free Base

>  <CAS> (70)
869357-68-6

>  <URL> (70)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

$$$$
raf265.cdx
csChFnd80/10161910382D

 37 41  0  0  0  0  0  0  0  0999 V2000
    7.7422    6.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4324    7.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3630    8.8479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (71)
564

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C24H16F6N6O

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RAF265 (CHIR-265)

>  <Synonyms> (71)
N/A 

>  <Target> (71)
Raf, VEGFR

>  <Form> (71)
Free Base

>  <CAS> (71)
927880-90-8

>  <URL> (71)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

$$$$

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>  <Mol_ID> (72)
565

>  <Formula> (72)
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>  <MolWeight> (72)
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>  <Cat> (72)
S2170

>  <Name> (72)
ITF2357 (Givinostat)

>  <Synonyms> (72)
N/A 

>  <Target> (72)
HDAC 

>  <Form> (72)
Chloride

>  <CAS> (72)
732302-99-7

>  <URL> (72)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

$$$$
Daphnetin.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (73)
566

>  <Formula> (73)
C9H6O4

>  <MolWeight> (73)
178.14154

>  <Cat> (73)
S2554

>  <Name> (73)
Daphnetin

>  <Synonyms> (73)
N/A 

>  <Target> (73)
DNA/RNA Synthesis

>  <Form> (73)
Free Base

>  <CAS> (73)
486-35-1

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

$$$$
AG14361.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (74)
568

>  <Formula> (74)
C19H20N4O

>  <MolWeight> (74)
320.3883

>  <Cat> (74)
S2178

>  <Name> (74)
AG14361

>  <Synonyms> (74)
N/A

>  <Target> (74)
PARP

>  <Form> (74)
Free Base

>  <CAS> (74)
328543-09-5

>  <URL> (74)
http://www.selleckchem.com/products/AG14361.html

$$$$
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>  <Mol_ID> (75)
586

>  <Formula> (75)
C26H20F3N7O

>  <MolWeight> (75)
503.4785096

>  <Cat> (75)
S2202

>  <Name> (75)
NVP-BHG712

>  <Synonyms> (75)
N/A

>  <Target> (75)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (75)
Free Base

>  <CAS> (75)
940310-85-0

>  <URL> (75)
http://www.selleckchem.com/products/NVP-BHG712.html

$$$$
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csChFnd80/10161910382D

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1092351-67-1

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http://www.selleckchem.com/products/PP242.html

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405554-55-4 

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http://www.selleckchem.com/products/SB590885.html

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

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>  <Mol_ID> (80)
607

>  <Formula> (80)
C30H48O5

>  <MolWeight> (80)
488.69912

>  <Cat> (80)
S2266

>  <Name> (80)
Asiatic acid

>  <Synonyms> (80)
N/A

>  <Target> (80)
p38 MAPK

>  <Form> (80)
Free Base

>  <CAS> (80)
464-92-6

>  <URL> (80)
http://www.selleckchem.com/products/Asiatic-acid.html

$$$$
Cryptotanshinone.cdx
csChFnd80/10161910382D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (81)
621

>  <Formula> (81)
C19H20O3

>  <MolWeight> (81)
296.3603

>  <Cat> (81)
S2285

>  <Name> (81)
Cryptotanshinone

>  <Synonyms> (81)
N/A

>  <Target> (81)
STAT

>  <Form> (81)
Free Base

>  <CAS> (81)
35825-57-1

>  <URL> (81)
http://www.selleckchem.com/products/Cryptotanshinone.html

$$$$
Honokiol.cdx
csChFnd80/10161910382D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (82)
640

>  <Formula> (82)
C18H18O2

>  <MolWeight> (82)
266.33432

>  <Cat> (82)
S2310

>  <Name> (82)
Honokiol

>  <Synonyms> (82)
N/A

>  <Target> (82)
Akt, MEK

>  <Form> (82)
Free Base

>  <CAS> (82)
35354-74-6

>  <URL> (82)
http://www.selleckchem.com/products/Honokiol.html

$$$$
Indole-3-carbinol.cdx
csChFnd80/10161910382D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (83)
643

>  <Formula> (83)
C9H9NO

>  <MolWeight> (83)
147.17386

>  <Cat> (83)
S2313

>  <Name> (83)
Indole-3-carbinol

>  <Synonyms> (83)
N/A

>  <Target> (83)
NF-¦ÊB

>  <Form> (83)
Free Base

>  <CAS> (83)
700-06-1

>  <URL> (83)
http://www.selleckchem.com/products/Indole-3-carbinol.html

$$$$
Magnolol.cdx
csChFnd80/10161910382D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (84)
649

>  <Formula> (84)
C18H18O2

>  <MolWeight> (84)
266.33432

>  <Cat> (84)
S2321

>  <Name> (84)
Magnolol

>  <Synonyms> (84)
2,2'-Bichavicol

>  <Target> (84)
NF-¦ÊB

>  <Form> (84)
Free Base

>  <CAS> (84)
528-43-8

>  <URL> (84)
http://www.selleckchem.com/products/Magnolol(2,2-Bichavicol).html

$$$$
Myricetin.cdx
csChFnd80/10161910382D

 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
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>  <Mol_ID> (85)
652

>  <Formula> (85)
C15H10O8

>  <MolWeight> (85)
318.2351

>  <Cat> (85)
S2326

>  <Name> (85)
Myricetin (Cannabiscetin)

>  <Synonyms> (85)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (85)
NULL

>  <Form> (85)
Free Base

>  <CAS> (85)
529-44-2

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

$$$$
Myricitrin.cdx
csChFnd80/10161910382D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    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
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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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 15  1  0  0  0  0
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 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
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 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> (86)
653

>  <Formula> (86)
C21H20O12

>  <MolWeight> (86)
464.3763

>  <Cat> (86)
S2327

>  <Name> (86)
Myricitrin (Myricitrine)

>  <Synonyms> (86)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (86)
PKC

>  <Form> (86)
Free Base

>  <CAS> (86)
17912-87-7

>  <URL> (86)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Parthenolide.cdx
csChFnd80/10161910382D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4249    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3207    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    2.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    2.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
  7 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  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> (87)
664

>  <Formula> (87)
C15H20O3

>  <MolWeight> (87)
248.3175

>  <Cat> (87)
S2341

>  <Name> (87)
Parthenolide ((-)-Parthenolide)

>  <Synonyms> (87)
N/A 

>  <Target> (87)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (87)
Free Base

>  <CAS> (87)
20554-84-1

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

$$$$
Dihydromyricetin.cdx
csChFnd80/10161910382D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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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
  9 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (88)
674

>  <Formula> (88)
C15H12O8

>  <MolWeight> (88)
320.25098

>  <Cat> (88)
S2399

>  <Name> (88)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (88)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (88)
Others

>  <Form> (88)
Free Base

>  <CAS> (88)
27200-12-0

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

$$$$
Chrysophanic acid.cdx
csChFnd80/10161910382D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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  8 11  1  0  0  0  0
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 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (89)
678

>  <Formula> (89)
C15H10O4

>  <MolWeight> (89)
254.2375

>  <Cat> (89)
S2406

>  <Name> (89)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (89)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (89)
EGFR, mTOR

>  <Form> (89)
Free Base

>  <CAS> (89)
481-74-3

>  <URL> (89)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
GSK2126458.cdx
csChFnd80/10161910382D

 36 40  0  0  0  0  0  0  0  0999 V2000
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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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    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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C25H17F2N5O3S

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>  <Synonyms> (90)
N/A 

>  <Target> (90)
PI3K, mTOR

>  <Form> (90)
Free Base

>  <CAS> (90)
1086062-66-9 

>  <URL> (90)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
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csChFnd80/10161910382D

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>  <Mol_ID> (91)
750

>  <Formula> (91)
C22H18FN7O

>  <MolWeight> (91)
415.4230232

>  <Cat> (91)
S2226

>  <Name> (91)
CAL-101 (GS-1101)

>  <Synonyms> (91)
CAL101

>  <Target> (91)
PI3K 

>  <Form> (91)
Free Base

>  <CAS> (91)
870281-82-6

>  <URL> (91)
http://www.selleckchem.com/products/CAL-101.html

$$$$
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>  <Mol_ID> (92)
752

>  <Formula> (92)
C28H23N7O2

>  <MolWeight> (92)
489.52792

>  <Cat> (92)
S2227

>  <Name> (92)
PIK-294

>  <Synonyms> (92)
N/A 

>  <Target> (92)
PI3K 

>  <Form> (92)
Free Base

>  <CAS> (92)
900185-02-6

>  <URL> (92)
http://www.selleckchem.com/products/PIK-294.html

$$$$
Neohesperidin.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (93)
755

>  <Formula> (93)
C28H34O15

>  <MolWeight> (93)
610.56056

>  <Cat> (93)
S2332

>  <Name> (93)
Neohesperidin

>  <Synonyms> (93)
N/A

>  <Target> (93)
ROS

>  <Form> (93)
Free Base

>  <CAS> (93)
13241-33-3 

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

$$$$
Phenformin hydrochloride.cdx
csChFnd80/10161910382D

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AMPK

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Hydrochloride 

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834-28-6

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

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N/A 

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mTOR

>  <Form> (95)
Free Base

>  <CAS> (95)
936890-98-1

>  <URL> (95)
http://www.selleckchem.com/products/OSI027.html

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N/A

>  <Target> (96)
DNA-PK, mTOR, PDGF

>  <Form> (96)
Free Base

>  <CAS> (96)
1092788-83-4

>  <URL> (96)
http://www.selleckchem.com/products/PP121.html

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N/A 

>  <Target> (97)
PI3K

>  <Form> (97)
Free Base

>  <CAS> (97)
944396-07-0

>  <URL> (97)
http://www.selleckchem.com/products/BKM-120.html

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>  <Mol_ID> (98)
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MEK

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1035555-63-5

>  <URL> (98)
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1218777-13-9

>  <URL> (104)
http://www.selleckchem.com/products/cay10505.html

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N/A 

>  <Target> (105)
mTOR

>  <Form> (105)
Free Base

>  <CAS> (105)
1062159-35-6 

>  <URL> (105)
http://www.selleckchem.com/products/way-600.html

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csChFnd80/10161910382D

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mTOR

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1144068-46-1

>  <URL> (106)
http://www.selleckchem.com/products/wye-125132.html

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csChFnd80/10161910382D

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>  <Target> (107)
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>  <Form> (107)
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601514-19-6

>  <URL> (107)
http://www.selleckchem.com/products/TWS119.html

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C21H27N7O3

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GSK690693

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N/A

>  <Target> (108)
Akt

>  <Form> (108)
Free Base

>  <CAS> (108)
937174-76-0

>  <URL> (108)
http://www.selleckchem.com/products/GSK690693.html

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csChFnd80/10161910382D

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C21H20O6

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Curcumin

>  <Synonyms> (109)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

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NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (109)
Free Base

>  <CAS> (109)
458-37-7

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

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C26H23FIN5O4

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MEK 

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Free Base

>  <CAS> (110)
871700-17-3

>  <URL> (110)
http://www.selleckchem.com/products/gsk1120212-(jtp-74057).html

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208260-29-1

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1007207-67-1

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http://www.selleckchem.com/products/ch5132799.html

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586379-66-0

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M  END
>  <Mol_ID> (116)
856

>  <Formula> (116)
C15H15N7O

>  <MolWeight> (116)
309.3259

>  <Cat> (116)
S2811

>  <Name> (116)
INK 128 (MLN0128)

>  <Synonyms> (116)
N/A 

>  <Target> (116)
mTOR 

>  <Form> (116)
Free Base

>  <CAS> (116)
1224844-38-5

>  <URL> (116)
http://www.selleckchem.com/products/ink128.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (117)
866

>  <Formula> (117)
C20H22ClN3O2

>  <MolWeight> (117)
371.86058

>  <Cat> (117)
S2627

>  <Name> (117)
Tubastatin A hydrochloride

>  <Synonyms> (117)
N/A

>  <Target> (117)
HDAC

>  <Form> (117)
Hydrochloride

>  <CAS> (117)
1310693-92-5

>  <URL> (117)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

$$$$
PF-04691502.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (118)
868

>  <Formula> (118)
C22H27N5O4

>  <MolWeight> (118)
425.48088

>  <Cat> (118)
S2743

>  <Name> (118)
PF-04691502

>  <Synonyms> (118)
N/A

>  <Target> (118)
mTOR, PI3K, Akt

>  <Form> (118)
Free Base

>  <CAS> (118)
1013101-36-4 

>  <URL> (118)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Idebenone.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (119)
915

>  <Formula> (119)
C19H30O5

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338.4385

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S2605

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Idebenone

>  <Synonyms> (119)
N/A

>  <Target> (119)
ROS

>  <Form> (119)
Free Base

>  <CAS> (119)
58186-27-9

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

$$$$
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>  <Mol_ID> (120)
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CHIR-98014

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N/A

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GSK-3

>  <Form> (120)
Free Base

>  <CAS> (120)
252935-94-7

>  <URL> (120)
http://www.selleckchem.com/products/chir-98014.html

$$$$
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M  END
>  <Mol_ID> (121)
950

>  <Formula> (121)
C32H29F3N6O6

>  <MolWeight> (121)
650.6044696

>  <Cat> (121)
S2749

>  <Name> (121)
NVP-BGT226

>  <Synonyms> (121)
N/A 

>  <Target> (121)
PI3K, mTOR

>  <Form> (121)
Maleate

>  <CAS> (121)
1245537-68-1

>  <URL> (121)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/10161910382D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (122)
952

>  <Formula> (122)
C25H21N7O3

>  <MolWeight> (122)
467.47934

>  <Cat> (122)
S1219

>  <Name> (122)
YM201636

>  <Synonyms> (122)
N/A

>  <Target> (122)
PI3K 

>  <Form> (122)
Free Base

>  <CAS> (122)
371942-69-7

>  <URL> (122)
http://www.selleckchem.com/products/ym201636.html

$$$$
3-Methyladenine.cdx
csChFnd80/10161910382D

 11 12  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (123)
957

>  <Formula> (123)
C6H7N5

>  <MolWeight> (123)
149.15328

>  <Cat> (123)
S2767

>  <Name> (123)
3-Methyladenine (3-MA)

>  <Synonyms> (123)
3-MA

>  <Target> (123)
PI3K

>  <Form> (123)
Free Base

>  <CAS> (123)
5142-23-4

>  <URL> (123)
http://www.selleckchem.com/products/3-methyladenine.html

$$$$
BX-795.cdx
csChFnd80/10161910382D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 33 29  1  0  0  0  0
 28 34  2  0  0  0  0
M  END
>  <Mol_ID> (124)
959

>  <Formula> (124)
C23H26IN7O2S

>  <MolWeight> (124)
591.46771

>  <Cat> (124)
S1274

>  <Name> (124)
BX-795

>  <Synonyms> (124)
N/A

>  <Target> (124)
PDK-1, IKK

>  <Form> (124)
Free Base

>  <CAS> (124)
702675-74-9

>  <URL> (124)
http://www.selleckchem.com/products/bx-795.html

$$$$
BX-912.cdx
csChFnd80/10161910382D

 30 33  0  0  0  0  0  0  0  0999 V2000
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1223001-51-1

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http://www.selleckchem.com/products/torin-2.html

$$$$
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csChFnd80/10161910382D

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1013

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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

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Free Base

>  <CAS> (134)
1217486-61-7

>  <URL> (134)
http://www.selleckchem.com/products/byl719.html

$$$$
CI994.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (135)
1016

>  <Formula> (135)
C15H15N3O2

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269.2985

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S2818

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CI994 (Tacedinaline)

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PD-123654 

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HDAC

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Free Base

>  <CAS> (135)
112522-64-2

>  <URL> (135)
http://www.selleckchem.com/products/ci994-tacedinaline.html

$$$$
Sodium salicylate.cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (136)
1037

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C7H6NaO3

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161.11051

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S3137

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Sodium salicylate

>  <Synonyms> (136)
N/A 

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NF-¦ÊB

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sodium salt

>  <CAS> (136)
54-21-7

>  <URL> (136)
http://www.selleckchem.com/products/sodium-salicylate.html

$$$$
AZD 6482.cdx
csChFnd80/10161910382D

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1063

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C22H24N4O4

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AZD6482

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N/A 

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PI3K

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Free Base

>  <CAS> (137)
1173900-33-8

>  <URL> (137)
http://www.selleckchem.com/products/azd6482.html

$$$$
Tideglusib.cdx
csChFnd80/10161910382D

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865854-05-3 

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

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N/A

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Others

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61281-37-6

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

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NF-¦ÊB

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Free Base

>  <CAS> (140)
38748-32-2

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

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501437-28-1

>  <URL> (141)
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133053-19-7

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HIF

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Free Base

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931398-72-0

>  <URL> (143)
http://www.selleckchem.com/products/iox2.html

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C24H21N3OS

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S2928

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TAK 715

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N/A 

>  <Target> (144)
p38 MAPK

>  <Form> (144)
Free Base

>  <CAS> (144)
303162-79-0

>  <URL> (144)
http://www.selleckchem.com/products/tak-715.html

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TDZD-8.cdx
csChFnd80/10161910382D

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N/A

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GSK-3

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Free Base

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327036-89-5 

>  <URL> (145)
http://www.selleckchem.com/products/tdzd-8.html

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H 89 2HCl

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N/A

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S6 Kinase

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Dihydrochloride

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130964-39-5

>  <URL> (146)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

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19392

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M  END
>  <Mol_ID> (148)
1257

>  <Formula> (148)
C9H14N4O5

>  <MolWeight> (148)
258.23126

>  <Cat> (148)
S1802

>  <Name> (148)
AICAR (Acadesine)

>  <Synonyms> (148)
AICAR, AICA-riboside

>  <Target> (148)
AMPK

>  <Form> (148)
Free Base

>  <CAS> (148)
2627-69-2

>  <URL> (148)
http://www.selleckchem.com/products/Acadesine.html

$$$$
PF-04708671.cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (149)
1261

>  <Formula> (149)
C19H21F3N6

>  <MolWeight> (149)
390.4054496

>  <Cat> (149)
S2163

>  <Name> (149)
PF-4708671

>  <Synonyms> (149)
PF-04708671

>  <Target> (149)
S6 Kinase

>  <Form> (149)
Free Base

>  <CAS> (149)
1255517-76-0

>  <URL> (149)
http://www.selleckchem.com/products/pf-4708671.html

$$$$
JNK-IN-8.cdx
csChFnd80/10161910382D

 38 41  0  0  0  0  0  0  0  0999 V2000
   10.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0  0  0  0
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 12 29  1  0  0  0  0
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 31 32  1  0  0  0  0
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M  END
>  <Mol_ID> (150)
1280

>  <Formula> (150)
C29H29N7O2

>  <MolWeight> (150)
507.58626

>  <Cat> (150)
S4901

>  <Name> (150)
JNK-IN-8

>  <Synonyms> (150)
N/A

>  <Target> (150)
Free Base

>  <Form> (150)
Free Base

>  <CAS> (150)
1410880-22-6

>  <URL> (150)
http://www.selleckchem.com/products/jnk-in-8.html

$$$$
QNZ.cdx
csChFnd80/10161910382D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (151)
1282

>  <Formula> (151)
C22H20N4O

>  <MolWeight> (151)
356.4204

>  <Cat> (151)
S4902

>  <Name> (151)
QNZ (EVP4593)

>  <Synonyms> (151)
N/A

>  <Target> (151)
NF-¦ÊB

>  <Form> (151)
Free Base

>  <CAS> (151)
545380-34-5

>  <URL> (151)
http://www.selleckchem.com/products/qnz-evp4593.html

$$$$
Aminosalicylate sodium.cdx
csChFnd80/10161910382D

 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
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M  END
>  <Mol_ID> (152)
1306

>  <Formula> (152)
C7H6NNaO3

>  <MolWeight> (152)
175.11721

>  <Cat> (152)
S4073

>  <Name> (152)
Sodium 4-Aminosalicylate

>  <Synonyms> (152)
N/A

>  <Target> (152)
NF-¦ÊB

>  <Form> (152)
Sodium Salt

>  <CAS> (152)
133-10-8

>  <URL> (152)
http://www.selleckchem.com/products/aminosalicylate-sodium.html

$$$$
sodium phenylbutyrate.cdx
csChFnd80/10161910382D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (153)
1334

>  <Formula> (153)
C10H11NaO2

>  <MolWeight> (153)
186.18291

>  <Cat> (153)
S4125

>  <Name> (153)
Sodium Phenylbutyrate

>  <Synonyms> (153)
N/A

>  <Target> (153)
HDAC

>  <Form> (153)
Sodium Salt

>  <CAS> (153)
1716-12-7

>  <URL> (153)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

$$$$
nifuroxazide.cdx
csChFnd80/10161910382D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (154)
1369

>  <Formula> (154)
C12H9N3O5

>  <MolWeight> (154)
275.21696

>  <Cat> (154)
S4182

>  <Name> (154)
Nifuroxazide

>  <Synonyms> (154)
N/A

>  <Target> (154)
STAT

>  <Form> (154)
Free Base

>  <CAS> (154)
965-52-6

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

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/10161910382D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (155)
1380

>  <Formula> (155)
C16H19N3O4S

>  <MolWeight> (155)
349.40476

>  <Cat> (155)
S2693

>  <Name> (155)
Resminostat (RAS2410)

>  <Synonyms> (155)
4SC-201, BYK408740

>  <Target> (155)
HDAC

>  <Form> (155)
Free Base

>  <CAS> (155)
864814-88-0

>  <URL> (155)
http://www.selleckchem.com/products/resminostat-ras2410.html

$$$$
VX-745.cdx
csChFnd80/10161910382D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (156)
1463

>  <Formula> (156)
C19H9Cl2F2N3OS

>  <MolWeight> (156)
436.2620664

>  <Cat> (156)
S1458

>  <Name> (156)
VX-745

>  <Synonyms> (156)
N/A

>  <Target> (156)
p38 MAPK 

>  <Form> (156)
Free Base

>  <CAS> (156)
209410-46-8

>  <URL> (156)
http://www.selleckchem.com/products/VX-745.html

$$$$
untitled.cdx
csChFnd80/10161910382D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (157)
1464

>  <Formula> (157)
C13H16N6O4

>  <MolWeight> (157)
320.30394

>  <Cat> (157)
S1117

>  <Name> (157)
Triciribine

>  <Synonyms> (157)
N/A

>  <Target> (157)
Akt

>  <Form> (157)
Free Base

>  <CAS> (157)
35943-35-2

>  <URL> (157)
http://www.selleckchem.com/products/Triciribine.html

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/10161910382D

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>  <Mol_ID> (158)
1505

>  <Formula> (158)
C19H20F3IN2O5S

>  <MolWeight> (158)
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>  <Cat> (158)
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>  <Name> (158)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (158)
BAY 869766

>  <Target> (158)
MEK

>  <Form> (158)
Free Base

>  <CAS> (158)
923032-37-5

>  <URL> (158)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
Dicoumarol.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (159)
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>  <Formula> (159)
C19H12O6

>  <MolWeight> (159)
336.29498

>  <Cat> (159)
S4299

>  <Name> (159)
Dicoumarol

>  <Synonyms> (159)
Dicumarol

>  <Target> (159)
Others

>  <Form> (159)
Free Base

>  <CAS> (159)
66-76-2

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

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/10161910382D

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>  <Mol_ID> (160)
1535

>  <Formula> (160)
C44H69NO12

>  <MolWeight> (160)
804.01816

>  <Cat> (160)
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>  <Name> (160)
Tacrolimus (FK506)

>  <Synonyms> (160)
FR900506

>  <Target> (160)
mTOR

>  <Form> (160)
Free Base

>  <CAS> (160)
104987-11-3

>  <URL> (160)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (161)
1538

>  <Formula> (161)
C56H87NO16

>  <MolWeight> (161)
1030.28708

>  <Cat> (161)
S1044

>  <Name> (161)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (161)
N/A

>  <Target> (161)
mTOR

>  <Form> (161)
Free Base

>  <CAS> (161)
162635-04-3

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

$$$$
PF-2341066.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (162)
1550

>  <Formula> (162)
C21H22Cl2FN5O

>  <MolWeight> (162)
450.3366832

>  <Cat> (162)
S1068

>  <Name> (162)
Crizotinib (PF-02341066)

>  <Synonyms> (162)
N/A 

>  <Target> (162)
c-Met, ALK

>  <Form> (162)
Free Base

>  <CAS> (162)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (162)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
S1096-JNJ26481585.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (163)
1559

>  <Formula> (163)
C21H28Cl2N6O2

>  <MolWeight> (163)
467.39202

>  <Cat> (163)
S1096

>  <Name> (163)
Quisinostat (JNJ-26481585) 2HCl

>  <Synonyms> (163)
N/A

>  <Target> (163)
HDAC

>  <Form> (163)
Dihydrochloride

>  <CAS> (163)
875320-31-3

>  <URL> (163)
http://www.selleckchem.com/products/JNJ-26481585.html

$$$$
6-Benzylaminopurine.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (164)
1571

>  <Formula> (164)
C12H11N5

>  <MolWeight> (164)
225.24924

>  <Cat> (164)
S4511

>  <Name> (164)
6-Benzylaminopurine

>  <Synonyms> (164)
N/A

>  <Target> (164)
Others

>  <Form> (164)
Free Base

>  <CAS> (164)
1214-39-7

>  <URL> (164)
http://www.selleckchem.com/products/6-benzylaminopurine.html

$$$$
S4580 Hydroquinone.cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (165)
1626

>  <Formula> (165)
C6H6O2

>  <MolWeight> (165)
110.11064

>  <Cat> (165)
S4580

>  <Name> (165)
Hydroquinone

>  <Synonyms> (165)
Quinol, 1,4-Benzenediol, 1,4-Dihydroxybenzene, HQ

>  <Target> (165)
ROS

>  <Form> (165)
Free Base

>  <CAS> (165)
123-31-9

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

$$$$
S4603 Gallic acid.cdx
csChFnd80/10161910382D

 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> (166)
1646

>  <Formula> (166)
C7H6O5

>  <MolWeight> (166)
170.11954

>  <Cat> (166)
S4603

>  <Name> (166)
Gallic acid

>  <Synonyms> (166)
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid

>  <Target> (166)
ROS

>  <Form> (166)
Free Base

>  <CAS> (166)
149-91-7

>  <URL> (166)
http://www.selleckchem.com/products/gallic-acid.html

$$$$
S4715 Benzamide.cdx
csChFnd80/10161910382D

  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> (167)
1707

>  <Formula> (167)
C7H7NO

>  <MolWeight> (167)
121.13658

>  <Cat> (167)
S4715

>  <Name> (167)
Benzamide

>  <Synonyms> (167)
Sulfabenzamide|Sulfabenzid|Sulfabenzide|Sulfabenzoylamide|N-Sulfamylbenzamide

>  <Target> (167)
Others

>  <Form> (167)
Free Base

>  <CAS> (167)
55-21-0

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

$$$$
S4710 Picolinamide.cdx
csChFnd80/10161910382D

  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> (168)
1716

>  <Formula> (168)
C6H6N2O

>  <MolWeight> (168)
122.12464

>  <Cat> (168)
S4710

>  <Name> (168)
Picolinamide

>  <Synonyms> (168)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (168)
PARP

>  <Form> (168)
Free Base

>  <CAS> (168)
1452-77-3

>  <URL> (168)
http://www.selleckchem.com/products/picolinamide.html

$$$$
S4723 (-)Epicatechin.cdx
csChFnd80/10161910382D

 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> (169)
1717

>  <Formula> (169)
C15H14O6

>  <MolWeight> (169)
290.26806

>  <Cat> (169)
S4723

>  <Name> (169)
(-)Epicatechin

>  <Synonyms> (169)
L-Epicatechin, (-)-Epicatechol

>  <Target> (169)
Others

>  <Form> (169)
Free Base

>  <CAS> (169)
490-46-0

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

$$$$
MK4827.cdx
csChFnd80/10161910382D

 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
    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 C   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 N   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
    0.0042    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8695    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    0.1876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9695    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  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  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 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
 19 16  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 24  1  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (170)
1721

>  <Formula> (170)
C19H20N4O

>  <MolWeight> (170)
320.3883

>  <Cat> (170)
S2741

>  <Name> (170)
MK-4827(Niraparib)

>  <Synonyms> (170)
N/A

>  <Target> (170)
PARP

>  <Form> (170)
Free Base

>  <CAS> (170)
1038915-60-4

>  <URL> (170)
http://www.selleckchem.com/products/mk-4827.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/10161910382D

 70 77  0  0  0  0  0  0  0  0999 V2000
   11.8879   14.3792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   15.0858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8879   13.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1895   13.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0965   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4433   14.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   16.4799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   12.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3940   12.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2955   14.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0965   16.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8879   17.1864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.5154    4.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   13.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9405   11.5905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9202    9.7617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2725    8.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5725    7.7434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1091    6.6018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 65  1  6  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
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  1  0  0  0
  8 12  1  0  0  0  0
 16  9  1  1  0  0  0
 11 14  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  6  0  0  0
 13 19  1  0  0  0  0
 14 20  1  6  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  1  0  0  0
 19 23  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  6  0  0  0
 23 29  1  0  0  0  0
 23 66  1  6  0  0  0
 24 30  1  0  0  0  0
 26 31  1  1  0  0  0
 26 32  1  0  0  0  0
 27 33  1  1  0  0  0
 27 32  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  1  0  0  0  0
 29 36  1  1  0  0  0
 30 34  1  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  6  0  0  0
 34 39  1  0  0  0  0
 34 67  1  6  0  0  0
 35 40  1  0  0  0  0
 41 37  1  1  0  0  0
 39 42  1  0  0  0  0
 39 43  1  1  0  0  0
 40 44  1  6  0  0  0
 40 42  1  0  0  0  0
 41 45  1  0  0  0  0
 41 46  1  0  0  0  0
 42 47  1  1  0  0  0
 45 48  1  0  0  0  0
 46 49  1  0  0  0  0
 46 50  1  6  0  0  0
 48 51  1  0  0  0  0
 48 52  1  1  0  0  0
 49 53  1  1  0  0  0
 49 51  1  0  0  0  0
 51 54  1  6  0  0  0
 55 54  1  1  0  0  0
 55 56  1  0  0  0  0
 55 57  1  0  0  0  0
 56 58  1  0  0  0  0
 56 59  1  6  0  0  0
 57 60  1  0  0  0  0
 58 61  1  0  0  0  0
 58 62  1  6  0  0  0
 60 63  1  1  0  0  0
 60 61  1  0  0  0  0
 61 64  1  1  0  0  0
 39 68  1  6  0  0  0
 68 69  1  0  0  0  0
 52 70  1  0  0  0  0
M  END
>  <Mol_ID> (171)
1764

>  <Formula> (171)
C48H78O19

>  <MolWeight> (171)
959.12152

>  <Cat> (171)
S3616

>  <Name> (171)
Asiaticoside

>  <Synonyms> (171)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (171)
Others

>  <Form> (171)
free base

>  <CAS> (171)
16830-15-2

>  <URL> (171)
http://www.selleckchem.com/products/asiaticoside.html

$$$$
S3632 Trichloroisocyanuric acid.cdx
csChFnd80/10161910382D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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 Cl  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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   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
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (172)
1766

>  <Formula> (172)
C3Cl3N3O3

>  <MolWeight> (172)
232.4094

>  <Cat> (172)
S3632

>  <Name> (172)
Trichloroisocyanuric acid

>  <Synonyms> (172)
N/A

>  <Target> (172)
Others

>  <Form> (172)
free base

>  <CAS> (172)
87-90-1

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

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/10161910382D

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.1810    2.1435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019    0.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    2.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.0618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0256    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488    4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    4.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (173)
1767

>  <Formula> (173)
C5H12N2S2

>  <MolWeight> (173)
164.29218

>  <Cat> (173)
S3633

>  <Name> (173)
Pyrrolidinedithiocarbamate ammonium

>  <Synonyms> (173)
APDC, PDTC

>  <Target> (173)
NF-¦ÊB

>  <Form> (173)
ammonium salt

>  <CAS> (173)
5108-96-3

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

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/10161910382D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (174)
1789

>  <Formula> (174)
C11H8O3

>  <MolWeight> (174)
188.17942

>  <Cat> (174)
S3661

>  <Name> (174)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (174)
N/A

>  <Target> (174)
PKC

>  <Form> (174)
free base

>  <CAS> (174)
2348-82-5

>  <URL> (174)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3942 Cardamonin.cdx
csChFnd80/10161910382D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (175)
1882

>  <Formula> (175)
C16H14O4

>  <MolWeight> (175)
270.27996

>  <Cat> (175)
S3867

>  <Name> (175)
Cardamoni

>  <Synonyms> (175)
Alpinetin chalcone, cardamomin

>  <Target> (175)
NF-¦ÊB,Calcium Channel

>  <Form> (175)
free base

>  <CAS> (175)
 19309-14-9

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/10161910382D

 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> (176)
1895

>  <Formula> (176)
C19H20O5

>  <MolWeight> (176)
328.3591

>  <Cat> (176)
S3819

>  <Name> (176)
Decursinol angelate

>  <Synonyms> (176)
N/A

>  <Target> (176)
PKC

>  <Form> (176)
free base

>  <CAS> (176)
130848-06-5

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

$$$$
S3838 Carnosic acid.cdx
csChFnd80/10161910382D

 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
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 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (177)
1909

>  <Formula> (177)
C20H28O4

>  <MolWeight> (177)
332.43392

>  <Cat> (177)
S3838

>  <Name> (177)
Carnosic acid

>  <Synonyms> (177)
salvin

>  <Target> (177)
Others

>  <Form> (177)
free base

>  <CAS> (177)
639426

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

$$$$
S3840 Baohuoside I.cdx
csChFnd80/10161910382D

 37 40  0  0  0  0  0  0  0  0999 V2000
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 29 34  1  1  0  0  0
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 31 37  1  6  0  0  0
M  END
>  <Mol_ID> (178)
1910

>  <Formula> (178)
C27H30O10

>  <MolWeight> (178)
514.5211

>  <Cat> (178)
S3840

>  <Name> (178)
Baohuoside I

>  <Synonyms> (178)
Icariside II

>  <Target> (178)
ROS

>  <CAS> (178)
113558-15-9

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

$$$$
S3885 Pyrogallol.cdx
csChFnd80/10161910382D

  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
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    2.4213    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  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> (179)
1957

>  <Formula> (179)
C6H6O3

>  <MolWeight> (179)
126.11004

>  <Cat> (179)
S3885

>  <Name> (179)
Pyrogallol

>  <Synonyms> (179)
1,2,3-trihydroxybenzene

>  <Target> (179)
ROS

>  <Form> (179)
free base

>  <CAS> (179)
87-66-1

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

$$$$
S3874 Curcumenol.cdx
csChFnd80/10161910382D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.7647    2.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7647    4.3230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6693    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6968    5.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    4.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    2.3311    4.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9613    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  1  0  0  0
  8  3  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  7 10  1  0  0  0  0
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M  END
>  <Mol_ID> (180)
1965

>  <Formula> (180)
C15H22O2

>  <MolWeight> (180)
234.33398

>  <Cat> (180)
S3874

>  <Name> (180)
Curcumenol

>  <Synonyms> (180)
N/A

>  <Target> (180)
NF-¦ÊB

>  <Form> (180)
free base

>  <CAS> (180)
19431-84-6

>  <URL> (180)
http://www.selleckchem.com/products/curcumenol.html

$$$$
Sodium valproate.cdx
csChFnd80/10161910382D

 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
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    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (181)
2221

>  <Formula> (181)
C8H15NaO2

>  <MolWeight> (181)
166.19327

>  <Cat> (181)
S1168

>  <Name> (181)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (181)
N/A 

>  <Target> (181)
GABA Receptor, HDAC

>  <CAS> (181)
1069-66-5, 99-66-1 (FREE BASE)

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

$$$$
GW 5074.cdx
csChFnd80/10161910382D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    7.1930    5.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0665    3.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6971    3.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (182)
2233

>  <Formula> (182)
C15H8Br2INO2

>  <MolWeight> (182)
520.94199

>  <Cat> (182)
S2872

>  <Name> (182)
GW5074

>  <Synonyms> (182)
N/A

>  <Target> (182)
Raf

>  <Form> (182)
free base

>  <CAS> (182)
220904-83-6

>  <URL> (182)
http://selleckchem.com/products/gw5074.html

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/10161910382D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (183)
C15H14O6

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>  <Cat> (183)
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>  <Name> (183)
(+)-Catechin

>  <Synonyms> (183)
Cianidanol, Catechinic acid, Catechuic acid

>  <Target> (183)
Others

>  <Form> (183)
Free Base

>  <CAS> (183)
154-23-4

>  <URL> (183)
http://www.selleckchem.com/products/catechin.html

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C21H46NO4P

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Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (184)
N/A

>  <Target> (184)
Akt

>  <Form> (184)
Free Base

>  <CAS> (184)
58066-85-6

>  <URL> (184)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

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2255

>  <Formula> (185)
C17H15NO3

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281.3059

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NU7026

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N/A

>  <Target> (185)
DNA-PK

>  <Form> (185)
Free Base

>  <CAS> (185)
154447-35-5

>  <URL> (185)
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1232410-49-9

>  <URL> (186)
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1372540-25-4

>  <URL> (187)
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19983-44-9

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1207360-89-1

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>  <Mol_ID> (196)
2329

>  <Formula> (196)
C21H16N6O2S2

>  <MolWeight> (196)
448.52074

>  <Cat> (196)
S1118

>  <Name> (196)
XL147 analogue

>  <Synonyms> (196)
SAR245408

>  <Target> (196)
PI3K 

>  <Form> (196)
Free Base

>  <CAS> (196)
956958-53-5

>  <URL> (196)
http://www.selleckchem.com/products/XL147.html

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/10161910382D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (197)
2333

>  <Formula> (197)
C16H15BrClN5O4S

>  <MolWeight> (197)
488.7434

>  <Cat> (197)
S1205

>  <Name> (197)
PIK-75 

>  <Synonyms> (197)
N/A

>  <Target> (197)
PI3K, DNA-PK

>  <Form> (197)
Hydrochloride

>  <CAS> (197)
372196-77-5

>  <URL> (197)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/10161910382D

 31 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (198)
2338

>  <Formula> (198)
C25H52NO4P

>  <MolWeight> (198)
461.658441

>  <Cat> (198)
S1037

>  <Name> (198)
Perifosine (KRX-0401)

>  <Synonyms> (198)
NSC639966

>  <Target> (198)
Akt

>  <Form> (198)
Free Base

>  <CAS> (198)
157716-52-4

>  <URL> (198)
http://www.selleckchem.com/products/Perifosine.html

$$$$
bms-707035.cdx
csChFnd80/10161910382D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (199)
2350

>  <Formula> (199)
C18H11N3O2S

>  <MolWeight> (199)
333.36384

>  <Cat> (199)
S1360

>  <Name> (199)
GSK1059615

>  <Synonyms> (199)
N/A

>  <Target> (199)
PI3K, mTOR

>  <Form> (199)
Free Base

>  <CAS> (199)
958852-01-2

>  <URL> (199)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
LY2228820.cdx
csChFnd80/10161910382D

 41 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (200)
2358

>  <Formula> (200)
C26H37FN6O6S2

>  <MolWeight> (200)
612.7369832

>  <Cat> (200)
S1494

>  <Name> (200)
LY2228820

>  <Synonyms> (200)
N/A

>  <Target> (200)
p38 MAPK

>  <Form> (200)
Dimesylate

>  <CAS> (200)
862507-23-1

>  <URL> (200)
http://www.selleckchem.com/products/LY2228820.html

$$$$
Sodium butyrate.cdx
csChFnd80/10161910382D

  7  5  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (201)
2379

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C4H7NaO2

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110.08695

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S1999

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Sodium butyrate

>  <Synonyms> (201)
Butyric acid sodium salt

>  <Target> (201)
HDAC

>  <Form> (201)
Sodium Salt

>  <CAS> (201)
156-54-7

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

$$$$
untitled.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (202)
2399

>  <Formula> (202)
C19H12F4N4O2

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404.3177928

>  <Cat> (202)
S6005

>  <Name> (202)
VX-702

>  <Synonyms> (202)
N/A

>  <Target> (202)
p38 MAPK 

>  <Form> (202)
Free Base

>  <CAS> (202)
745833-23-2

>  <URL> (202)
http://www.selleckchem.com/products/VX-702.html

$$$$
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>  <Mol_ID> (203)
2405

>  <Formula> (203)
C32H41N9O4

>  <MolWeight> (203)
615.72584

>  <Cat> (203)
S2628

>  <Name> (203)
PF-05212384 (PKI-587)

>  <Synonyms> (203)
N/A 

>  <Target> (203)
mTOR, PI3K

>  <Form> (203)
Free Base

>  <CAS> (203)
1197160-78-3

>  <URL> (203)
http://www.selleckchem.com/products/pki587.html

$$$$
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csChFnd80/10161910382D

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>  <Mol_ID> (204)
2409

>  <Formula> (204)
C25H19NO3S

>  <MolWeight> (204)
413.48826

>  <Cat> (204)
S2638

>  <Name> (204)
NU7441(KU-57788)

>  <Synonyms> (204)
N/A 

>  <Target> (204)
DNA-PK, PI3K

>  <Form> (204)
Free Base

>  <CAS> (204)
503468-95-9 

>  <URL> (204)
http://www.selleckchem.com/products/nu7441.html

$$$$
Torin 1.cdx
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mTOR

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1222998-36-8

>  <URL> (205)
http://www.selleckchem.com/products/torin-1.html

$$$$
TG 100713.cdx
csChFnd80/10161910382D

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TG 100713

>  <Synonyms> (206)
N/A

>  <Target> (206)
PI3K

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Free Base

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925705-73-3

>  <URL> (206)
http://www.selleckchem.com/products/tg-100713.html

$$$$
Scriptaid (GCK 1026).cdx
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>  <Mol_ID> (207)
2444

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C18H18N2O4

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Scriptaid 

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>  <Target> (207)
HDAC

>  <Form> (207)
Free Base

>  <CAS> (207)
287383-59-9

>  <URL> (207)
https://www.selleckchem.com/products/scriptaid.html

$$$$
CGK 733.cdx
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>  <Mol_ID> (208)
2456

>  <Formula> (208)
C23H18Cl3FN4O3S

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CGK 733

>  <Synonyms> (208)
N/A

>  <Target> (208)
ATM/ATR

>  <Form> (208)
Free Base

>  <CAS> (208)
905973-89-9

>  <URL> (208)
http://www.selleckchem.com/products/cgk-733.html

$$$$
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M  END
>  <Mol_ID> (209)
2466

>  <Formula> (209)
C18H32ClN3O8P2

>  <MolWeight> (209)
515.862502

>  <Cat> (209)
S4157

>  <Name> (209)
Chloroquine Phosphate

>  <Synonyms> (209)
N/A

>  <Target> (209)
Others

>  <Form> (209)
Diphosphate

>  <CAS> (209)
50-63-5

>  <URL> (209)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/10161910382D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (210)
2513

>  <Formula> (210)
C17H15BrF2N4O3

>  <MolWeight> (210)
441.2268064

>  <Cat> (210)
S7007

>  <Name> (210)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (210)
N/A

>  <Target> (210)
MEK

>  <Form> (210)
Free Base

>  <CAS> (210)
606143-89-9

>  <URL> (210)
http://www.selleckchem.com/products/mek162.html

$$$$
GSK2334470.cdx
csChFnd80/10161910382D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 33 28  1  0  0  0  0
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M  END
>  <Mol_ID> (211)
2516

>  <Formula> (211)
C25H34N8O

>  <MolWeight> (211)
462.59046

>  <Cat> (211)
S7087

>  <Name> (211)
GSK2334470

>  <Synonyms> (211)
N/A

>  <Target> (211)
PDK-1

>  <Form> (211)
Free Base

>  <CAS> (211)
1227911-45-6

>  <URL> (211)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/10161910382D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (212)
2518

>  <Formula> (212)
C24H26N4O

>  <MolWeight> (212)
386.48944

>  <Cat> (212)
S7127

>  <Name> (212)
TIC10 analogue

>  <Synonyms> (212)
TRAIL-inducing Compound 10

>  <Target> (212)
Akt

>  <Form> (212)
Free Base

>  <CAS> (212)
41276-02-2

>  <URL> (212)
http://www.selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/10161910382D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (213)
2520

>  <Formula> (213)
C16H10BrN3O2

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GSK-3

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Free Base

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667463-62-9

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

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RGFP966

>  <Synonyms> (214)
N/A

>  <Target> (214)
HDAC

>  <Form> (214)
Free Base

>  <CAS> (214)
1396841-57-8

>  <URL> (214)
http://www.selleckchem.com/products/rgfp966.html

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>  <Formula> (215)
C21H23N7O3S

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AZD2858

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N/A

>  <Target> (215)
GSK-3

>  <Form> (215)
Free Base

>  <CAS> (215)
486424-20-8

>  <URL> (215)
http://www.selleckchem.com/products/azd2858.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/10161910382D

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Ro 31-8220 Mesylate

>  <Synonyms> (216)
Bisindolylmaleimide IX Mesylate

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PKC

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Mesylate

>  <CAS> (216)
138489-18-6

>  <URL> (216)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

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>  <Target> (217)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (217)
Free Base

>  <CAS> (217)
1159824-67-5

>  <URL> (217)
http://www.selleckchem.com/products/czc24832.html

$$$$
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M  END
>  <Mol_ID> (218)
2545

>  <Formula> (218)
C24H27Cl2N5O

>  <MolWeight> (218)
472.41008

>  <Cat> (218)
S7306

>  <Name> (218)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (218)
BML-275,Compound C

>  <Target> (218)
AMPK

>  <Form> (218)
Dihydrochloride

>  <CAS> (218)
1219168-18-9

>  <URL> (218)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
Skepinone-L.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (219)
2549

>  <Formula> (219)
C24H21F2NO4

>  <MolWeight> (219)
425.4246464

>  <Cat> (219)
S7214

>  <Name> (219)
Skepinone-L

>  <Synonyms> (219)
N/A

>  <Target> (219)
p38 MAPK

>  <Form> (219)
Free Base

>  <CAS> (219)
1221485-83-1

>  <URL> (219)
http://www.selleckchem.com/products/skepinone-l.html

$$$$
JSH-23.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (220)
2626

>  <Formula> (220)
C16H20N2

>  <MolWeight> (220)
240.3434

>  <Cat> (220)
S7351

>  <Name> (220)
JSH-23

>  <Synonyms> (220)
N/A

>  <Target> (220)
NF-¦ÊB

>  <Form> (220)
Free Base

>  <CAS> (220)
749886-87-1

>  <URL> (220)
http://www.selleckchem.com/products/jsh-23.html

$$$$
Sorafenib.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (221)
2627

>  <Formula> (221)
C21H16ClF3N4O3

>  <MolWeight> (221)
464.8249496

>  <Cat> (221)
S7397

>  <Name> (221)
Sorafenib

>  <Synonyms> (221)
BAY 43-9006

>  <Target> (221)
Raf

>  <Form> (221)
Free Base

>  <CAS> (221)
284461-73-0

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

$$$$
RG2833 (RGFP109).cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (222)
2628

>  <Formula> (222)
C20H25N3O2

>  <MolWeight> (222)
339.4314

>  <Cat> (222)
S7292

>  <Name> (222)
RG2833 (RGFP109)

>  <Synonyms> (222)
N/A

>  <Target> (222)
HDAC

>  <Form> (222)
Free Base

>  <CAS> (222)
1215493-56-3

>  <URL> (222)
http://www.selleckchem.com/products/rg2833-rgfp109.html

$$$$
WZ4003.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (223)
2632

>  <Formula> (223)
C25H29ClN6O3

>  <MolWeight> (223)
496.98916

>  <Cat> (223)
S7317

>  <Name> (223)
WZ4003

>  <Synonyms> (223)
N/A

>  <Target> (223)
AMPK

>  <Form> (223)
Free Base

>  <CAS> (223)
1214265-58-3

>  <URL> (223)
http://www.selleckchem.com/products/wz4003.html

$$$$
Caffeic acid phenethyl ester(CAPE).cdx
csChFnd80/10161910382D

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>  <Mol_ID> (224)
2636

>  <Formula> (224)
C17H16O4

>  <MolWeight> (224)
284.30654

>  <Cat> (224)
S7414

>  <Name> (224)
Caffeic acid phenethyl ester(CAPE)

>  <Synonyms> (224)
CAPE, Phenylethyl Caffeate

>  <Target> (224)
NF-¦ÊB

>  <Form> (224)
Free Base

>  <CAS> (224)
104594-70-9

>  <URL> (224)
http://www.selleckchem.com/products/caffeic-acid-phenethyl-ester.html

$$$$
AZ20.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (225)
2642

>  <Formula> (225)
C21H24N4O3S

>  <MolWeight> (225)
412.50526

>  <Cat> (225)
S7050

>  <Name> (225)
AZ20

>  <Synonyms> (225)
N/A

>  <Target> (225)
ATM/ATR

>  <Form> (225)
Free Base

>  <CAS> (225)
1233339-22-4

>  <URL> (225)
http://www.selleckchem.com/products/az20.html

$$$$
VE-822.cdx
csChFnd80/10161910382D

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487021-52-3

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1445251-22-8

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676596-65-9

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>  <URL> (230)
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Dimethyloxalylglycine

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Hydroxylase

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Free Base

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89464-63-1

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

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HS-173

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PI3K

>  <Form> (233)
Free Base

>  <CAS> (233)
1276110-06-5

>  <URL> (233)
http://www.selleckchem.com/products/hs-173.html

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>  <Formula> (234)
C22H26FN3O2

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S7215

>  <Name> (234)
Losmapimod

>  <Synonyms> (234)
GW856553X, GW856553, GSK-AHAB

>  <Target> (234)
p38 MAPK

>  <Form> (234)
Free Base

>  <CAS> (234)
585543-15-3

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

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913822-46-5

>  <URL> (235)
http://www.selleckchem.com/products/sc75741.html

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HIF

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1227158-85-1

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>  <Target> (241)
STAT

>  <Form> (241)
Free Base

>  <CAS> (241)
1456632-40-8

>  <URL> (241)
http://www.selleckchem.com/products/sh-4-54.html

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>  <Synonyms> (242)
N/A

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mTOR

>  <Form> (242)
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221877-54-9

>  <URL> (242)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

$$$$
IM-12.cdx
csChFnd80/10161910382D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   11.2512    3.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18  8  1  0  0  0  0
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M  END
>  <Mol_ID> (243)
2770

>  <Formula> (243)
C22H20FN3O2

>  <MolWeight> (243)
377.4115032

>  <Cat> (243)
S7566

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IM-12

>  <Synonyms> (243)
N/A

>  <Target> (243)
GSK-3

>  <Form> (243)
Free Base

>  <CAS> (243)
1129669-05-1

>  <URL> (243)
http://www.selleckchem.com/products/im-12.html

$$$$
CAY10683 (Santacruzamate A).cdx
csChFnd80/10161910382D

 20 20  0  0  0  0  0  0  0  0999 V2000
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (244)
2779

>  <Formula> (244)
C15H22N2O3

>  <MolWeight> (244)
278.34678

>  <Cat> (244)
S7595

>  <Name> (244)
Santacruzamate A (CAY10683)

>  <Synonyms> (244)
N/A

>  <Target> (244)
HDAC

>  <Form> (244)
Free Base

>  <CAS> (244)
1477949-42-0

>  <URL> (244)
http://www.selleckchem.com/products/santacruzamate-a-cay10683.html

$$$$
Tasquinimod .cdx
csChFnd80/10161910382D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
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 10 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
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 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (245)
2795

>  <Formula> (245)
C20H17F3N2O4

>  <MolWeight> (245)
406.3551896

>  <Cat> (245)
S7617

>  <Name> (245)
Tasquinimod

>  <Synonyms> (245)
ABR-215050

>  <Target> (245)
HDAC

>  <Form> (245)
Free Base

>  <CAS> (245)
254964-60-8

>  <URL> (245)
http://www.selleckchem.com/products/tasquinimod.html

$$$$
Splitomicin.cdx
csChFnd80/10161910382D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (246)
2802

>  <Formula> (246)
C13H10O2

>  <MolWeight> (246)
198.2173

>  <Cat> (246)
S7593

>  <Name> (246)
Splitomicin

>  <Synonyms> (246)
N/A

>  <Target> (246)
Sirtuin

>  <Form> (246)
Free Base

>  <CAS> (246)
1384339

>  <URL> (246)
http://www.selleckchem.com/products/splitomicin.html

$$$$
URMC-099.cdx
csChFnd80/10161910382D

 32 37  0  0  0  0  0  0  0  0999 V2000
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 31 27  1  0  0  0  0
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M  END
>  <Mol_ID> (247)
2804

>  <Formula> (247)
C27H27N5

>  <MolWeight> (247)
421.53678

>  <Cat> (247)
S7343

>  <Name> (247)
URMC-099

>  <Synonyms> (247)
N/A

>  <Target> (247)
Others

>  <Form> (247)
Free Base

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1229582-33-5

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HIF

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685898-44-6

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Free Base

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1045792-66-2

>  <URL> (253)
http://www.selleckchem.com/products/cay10603.html

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Piperlongumine

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PPLGM

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ROS,CRM

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20069-09-4

>  <URL> (254)
http://www.selleckchem.com/products/piperlongumine.html

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1056901-62-2

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NADPH oxidase

>  <Form> (261)
Free Base

>  <CAS> (261)
1218942-37-0

>  <URL> (261)
http://www.selleckchem.com/products/gkt137831.html

$$$$
Bikinin.cdx
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C9H9BrN2O3

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Bikinin

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GSK-3

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Free Base

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188011-69-0

>  <URL> (262)
http://www.selleckchem.com/products/bikinin.html

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2885

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C28H27F4N7O3S

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>  <Name> (263)
LY2584702 tosylate

>  <Synonyms> (263)
N/A

>  <Target> (263)
S6 Kinase

>  <Form> (263)
Free Base

>  <CAS> (263)
1082949-68-5

>  <URL> (263)
http://www.selleckchem.com/products/ly2584702-tosylate.html

$$$$
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GSK-3

>  <Form> (264)
Free Base

>  <CAS> (264)
603288-22-8

>  <URL> (264)
http://www.selleckchem.com/products/ly2090314.html

$$$$
BRD73954.cdx
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1440209-96-0

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Akt

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1047644-62-1

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JNK

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22862-76-6

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mTOR

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Free Base

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326914-06-1

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http://www.selleckchem.com/products/mhy1485.html

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ERK

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1435488-37-1

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

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PI3K

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Free Base

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934526-89-3

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http://www.selleckchem.com/products/pilaralisib-xl147.html

$$$$
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p38 MAPK

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945614-12-0

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http://www.selleckchem.com/products/pexmetinib-arry-614.html

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1613724-42-7

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ERK

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869886-67-9

>  <URL> (278)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

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C24H25N5O

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Dorsomorphin (Compound C)

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AMPK

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Free Base

>  <CAS> (279)
866405-64-3

>  <URL> (279)
http://www.selleckchem.com/products/dorsomorphin.html

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2962

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BI-847325

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MEK

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1207293-36-4

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http://www.selleckchem.com/products/bi-847325.html

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1168091-68-6

>  <URL> (281)
http://www.selleckchem.com/products/gdc-0623.html

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http://www.selleckchem.com/products/gsk621.html

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ERK

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896720-20-0

>  <URL> (296)
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PI3K

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Free Base

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934493-76-2

>  <URL> (297)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

$$$$
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1419949-20-4

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http://www.selleckchem.com/products/nvp-tnks656.html

$$$$
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Free Base

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1154028-82-6

>  <URL> (301)
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1198097-97-0

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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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>  <URL> (304)
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Free Base

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1383716-40-2

>  <URL> (310)
http://www.selleckchem.com/products/pik-iii.html

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p38 MAPK

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AMPK

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738606-46-7

>  <URL> (312)
http://www.selleckchem.com/products/etc-1002.html

$$$$
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3206

>  <Formula> (317)
C26H28N4O4S

>  <MolWeight> (317)
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>  <Name> (317)
MK-4827(Niraparib) tosylate

>  <Synonyms> (317)
Niraparib tosylate, MK 4827 tosylate

>  <Target> (317)
PARP

>  <Form> (317)
4-?methylbenzen

>  <CAS> (317)
1038915-73-9

>  <URL> (317)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

$$$$
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>  <Mol_ID> (318)
3208

>  <Formula> (318)
C13H7Cl2N3O

>  <MolWeight> (318)
292.12018

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S8323

>  <Name> (318)
ITSA-1 (ITSA1)

>  <Synonyms> (318)
N/A

>  <Target> (318)
HDAC

>  <Form> (318)
Free Base

>  <CAS> (318)
200626-61-5

>  <URL> (318)
http://www.selleckchem.com/products/itsa-1-itsa1.html

$$$$
LY3023414.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (319)
3210

>  <Formula> (319)
C23H26N4O3

>  <MolWeight> (319)
406.47754

>  <Cat> (319)
S8322

>  <Name> (319)
LY3023414

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GTPL8918

>  <Target> (319)
Akt

>  <Form> (319)
Free Base

>  <CAS> (319)
1386874-06-1

>  <URL> (319)
http://www.selleckchem.com/products/ly3023414.html

$$$$
LY333531.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (320)
3223

>  <Formula> (320)
C28H29ClN4O3

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>  <Cat> (320)
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>  <Name> (320)
LY333531 HCl

>  <Synonyms> (320)
Ruboxistaurin

>  <Target> (320)
PKC

>  <Form> (320)
hydrochloride

>  <CAS> (320)
169939-93-9

>  <URL> (320)
http://www.selleckchem.com/products/ly333531.html

$$$$
S4712 Diethylmaleate.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (321)
3232

>  <Formula> (321)
C8H12O4

>  <MolWeight> (321)
172.17848

>  <Cat> (321)
S4712

>  <Name> (321)
Diethylmaleate

>  <Target> (321)
Others

>  <Form> (321)
Free Base

>  <CAS> (321)
141-05-9

>  <URL> (321)
http://www.selleckchem.com/products/diethylmaleate.html

$$$$
AZD8835.cdx
csChFnd80/10161910382D

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PI3K

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1620576-64-8

>  <URL> (322)
http://www.selleckchem.com/products/azd8835.html

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csChFnd80/10161910382D

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3240

>  <Formula> (323)
C18H15N5O6S2

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S8251

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Necrosulfonamide

>  <Synonyms> (323)
N/A

>  <Target> (323)
Others

>  <Form> (323)
Free Base

>  <CAS> (323)
1360614-48-7

>  <URL> (323)
http://www.selleckchem.com/products/necrosulfonamide.html

$$$$
APS-2-79.cdx
csChFnd80/10161910382D

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3247

>  <Formula> (324)
C23H22ClN3O3

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423.89208

>  <Cat> (324)
S8355

>  <Name> (324)
APS-2-79 HCl

>  <Synonyms> (324)
N/A

>  <Target> (324)
MEK

>  <Form> (324)
hydrochloride

>  <CAS> (324)
2002381-31-7

>  <URL> (324)
http://www.selleckchem.com/products/aps-2-79.html

$$$$
Deguelin.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (325)
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C23H22O6

>  <MolWeight> (325)
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>  <Cat> (325)
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>  <Name> (325)
Deguelin

>  <Synonyms> (325)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (325)
Akt

>  <Form> (325)
Free Base

>  <CAS> (325)
522-17-8

>  <URL> (325)
http://www.selleckchem.com/products/deguelin.html

$$$$
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csChFnd80/10161910382D

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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (326)
3261

>  <Formula> (326)
C22H15F3N4O2

>  <MolWeight> (326)
424.3753096

>  <Cat> (326)
S8189

>  <Name> (326)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (326)
N/A

>  <Target> (326)
VEGFR

>  <Form> (326)
Free Base

>  <CAS> (326)
861875-60-7

>  <URL> (326)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/10161910382D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 25 28  1  0  0  0  0
 23 29  1  0  0  0  0
M  END
>  <Mol_ID> (327)
3265

>  <Formula> (327)
C19H20F2N4O4

>  <MolWeight> (327)
406.3833064

>  <Cat> (327)
S8125

>  <Name> (327)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (327)
N/A

>  <Target> (327)
p38 MAPK

>  <Form> (327)
Free Base

>  <CAS> (327)
449811-01-2

>  <URL> (327)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
BGP-15.cdx
csChFnd80/10161910382D

 22 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (328)
3284

>  <Formula> (328)
C14H24Cl2N4O2

>  <MolWeight> (328)
351.27196

>  <Cat> (328)
S8370

>  <Name> (328)
BGP-15 2HCl

>  <Synonyms> (328)
N/A

>  <Target> (328)
PARP

>  <Form> (328)
dihydrochloride

>  <CAS> (328)
66611-37-8

>  <URL> (328)
http://www.selleckchem.com/products/bgp-15.html

$$$$
GDC-0084.cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (329)
3289

>  <Formula> (329)
C18H22N8O2

>  <MolWeight> (329)
382.41968

>  <Cat> (329)
S8163

>  <Name> (329)
GDC-0084

>  <Synonyms> (329)
N/A

>  <Target> (329)
PI3K

>  <Form> (329)
Free Base

>  <CAS> (329)
1382979-44-3

>  <URL> (329)
http://www.selleckchem.com/products/gdc-0084.html

$$$$
CC-115.cdx
csChFnd80/10161910382D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (330)
3296

>  <Formula> (330)
C16H16N8O

>  <MolWeight> (330)
336.35124

>  <Cat> (330)
S7891

>  <Name> (330)
CC-115

>  <Synonyms> (330)
N/A

>  <Target> (330)
DNA-PK

>  <Form> (330)
Free Base

>  <CAS> (330)
1228013-15-7

>  <URL> (330)
http://www.selleckchem.com/products/cc-115.html

$$$$
CZ415.cdx
csChFnd80/10161910382D

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mTOR

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1429639-50-8

>  <URL> (331)
http://www.selleckchem.com/products/cz415.html

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GSK2269557

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Nemiralisib

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PI3K

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Free Base

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1254036-71-9

>  <URL> (332)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
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GSK583

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NF-¦ÊB

>  <Form> (333)
Free Base

>  <CAS> (333)
1346547-00-9

>  <URL> (333)
http://www.selleckchem.com/products/gsk583.html

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Miransertib (ARQ 092)HCl

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Akt

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hydrochloride

>  <CAS> (334)
1313883-00-9

>  <URL> (334)
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M  END
>  <Mol_ID> (335)
3330

>  <Formula> (335)
C21H25N7O

>  <MolWeight> (335)
391.4695

>  <Cat> (335)
S8456

>  <Name> (335)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (335)
N/A

>  <Target> (335)
PI3K

>  <Form> (335)
Free Base

>  <CAS> (335)
1383716-46-8

>  <URL> (335)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
BP-1-102.cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (336)
3332

>  <Formula> (336)
C29H27F5N2O6S

>  <MolWeight> (336)
626.591496

>  <Cat> (336)
S7769

>  <Name> (336)
BP-1-102

>  <Synonyms> (336)
N/A

>  <Target> (336)
STAT

>  <Form> (336)
Free Base

>  <CAS> (336)
1334493-07-0

>  <URL> (336)
http://www.selleckchem.com/products/bp-1-102.html

$$$$
OTS514.cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (337)
3334

>  <Formula> (337)
C21H21ClN2O2S

>  <MolWeight> (337)
400.92164

>  <Cat> (337)
S7652

>  <Name> (337)
OTS514 hydrochloride

>  <Synonyms> (337)
N/A

>  <Target> (337)
TOPK

>  <Form> (337)
hydrochloride

>  <CAS> (337)
1338540-63-8(free base)

>  <URL> (337)
http://www.selleckchem.com/products/ots514.html

$$$$
S8275-eFT-508.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (338)
3340

>  <Formula> (338)
C17H20N6O2

>  <MolWeight> (338)
340.3797

>  <Cat> (338)
S8275

>  <Name> (338)
eFT-508 (eFT508)

>  <Synonyms> (338)
N/A

>  <Target> (338)
MNK

>  <Form> (338)
Free Base

>  <CAS> (338)
1849590-01-7

>  <URL> (338)
http://www.selleckchem.com/products/eft-508.html

$$$$
SH5-07 (SH-5-07).cdx
csChFnd80/10161910382D

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STAT

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1456632-41-9

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http://www.selleckchem.com/products/sh5-07.html

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Raf

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Free Base

>  <CAS> (340)
1163719-56-9

>  <URL> (340)
http://www.selleckchem.com/products/cct196969.html

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N/A

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HIF

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Free Base

>  <CAS> (341)
170632-47-0

>  <URL> (341)
http://www.selleckchem.com/products/lificiguat-yc-1.html

$$$$
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HDAC

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C23H26Cl2N2O2S

>  <MolWeight> (346)
465.43574

>  <Cat> (346)
S7648

>  <Name> (346)
OTS964

>  <Synonyms> (346)
N/A

>  <Target> (346)
Others

>  <Form> (346)
dihydrochloride

>  <CAS> (346)
1338545-07-5(HCl salt)

>  <URL> (346)
http://www.selleckchem.com/products/ots964.html

$$$$
CC-930.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (347)
3373

>  <Formula> (347)
C21H24ClF3N6O2

>  <MolWeight> (347)
484.9024696

>  <Cat> (347)
S8490

>  <Name> (347)
Tanzisertib(CC-930)

>  <Synonyms> (347)
JNK-930|JNKI-1

>  <Target> (347)
JNK

>  <Form> (347)
hydrochloride

>  <CAS> (347)
899805-25-5 (free base)

>  <URL> (347)
http://www.selleckchem.com/products/cc-930.html

$$$$
NMS-P118.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (348)
3378

>  <Formula> (348)
C20H24F3N3O2

>  <MolWeight> (348)
395.4186696

>  <Cat> (348)
S8363

>  <Name> (348)
NMS-P118

>  <Synonyms> (348)
N/A

>  <Target> (348)
PARP

>  <Form> (348)
Free Base

>  <CAS> (348)
1262417-51-5

>  <URL> (348)
http://www.selleckchem.com/products/nms-p118.html

$$$$
YU238259.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (349)
3390

>  <Formula> (349)
C22H22ClN3O4S

>  <MolWeight> (349)
459.94578

>  <Cat> (349)
S8379

>  <Name> (349)
YU238259

>  <Synonyms> (349)
N/A

>  <Target> (349)
DNA-PK

>  <Form> (349)
Free Base

>  <CAS> (349)
1943733-16-1

>  <URL> (349)
http://www.selleckchem.com/products/yu238259.html

$$$$
LTURM34.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (350)
3400

>  <Formula> (350)
C24H18N2O3S

>  <MolWeight> (350)
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>  <Cat> (350)
S8427

>  <Name> (350)
LTURM34

>  <Synonyms> (350)
N/A

>  <Target> (350)
DNA-PK

>  <Form> (350)
free base

>  <CAS> (350)
1879887-96-3

>  <URL> (350)
http://www.selleckchem.com/products/lturm34.html

$$$$
AD80.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (351)
3404

>  <Formula> (351)
C22H19F4N7O

>  <MolWeight> (351)
473.4261728

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S8518

>  <Name> (351)
AD80

>  <Synonyms> (351)
N/A

>  <Target> (351)
Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

>  <Form> (351)
free base

>  <CAS> (351)
1384071-99-1

>  <URL> (351)
http://www.selleckchem.com/products/ad80.html

$$$$
GDC-0326.cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (352)
3409

>  <Formula> (352)
C19H22N6O3

>  <MolWeight> (352)
382.41638

>  <Cat> (352)
S8157

>  <Name> (352)
GDC-0326

>  <Synonyms> (352)
N/A

>  <Target> (352)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (352)
free base

>  <CAS> (352)
1282514-88-8

>  <URL> (352)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

$$$$
TMP195.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (353)
3413

>  <Formula> (353)
C23H19F3N4O3

>  <MolWeight> (353)
456.4171696

>  <Cat> (353)
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>  <Name> (353)
TMP195

>  <Synonyms> (353)
TFMO 2

>  <Target> (353)
HDAC9,HDAC7,HDAC4,HDAC5

>  <Form> (353)
free base

>  <CAS> (353)
1314891-22-9

>  <URL> (353)
http://www.selleckchem.com/products/tmp195.html

$$$$
3BDO.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (354)
3417

>  <Formula> (354)
C18H17NO5

>  <MolWeight> (354)
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>  <Cat> (354)
S8317

>  <Name> (354)
3BDO

>  <Synonyms> (354)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (354)
FKBP1A

>  <Form> (354)
free base

>  <CAS> (354)
890405-51-3

>  <URL> (354)
http://www.selleckchem.com/products/3bdo.html

$$$$
GSK2982772.cdx
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free base

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>  <URL> (355)
http://www.selleckchem.com/products/gsk2982772.html

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1174428-47-7

>  <URL> (356)
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PI3K¦Ã

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1693758-51-8

>  <URL> (357)
http://www.selleckchem.com/products/ipi-549.html

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>  <Target> (359)
STAT3

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hydrochloride

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1420290-99-8

>  <URL> (359)
http://www.selleckchem.com/products/hjc0152.html

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Autophinib.cdx
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>  <Cat> (360)
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>  <Name> (360)
Autophinib

>  <Synonyms> (360)
N/A

>  <Target> (360)
autophagy

>  <Form> (360)
free base

>  <CAS> (360)
1644443-47-9

>  <URL> (360)
http://www.selleckchem.com/products/autophinib.html

$$$$
LW 6.cdx
csChFnd80/10161910382D

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>  <Formula> (361)
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LW 6

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N/A

>  <Target> (361)
HIF-1¦Á

>  <Form> (361)
free base

>  <CAS> (361)
934593-90-5

>  <URL> (361)
http://www.selleckchem.com/products/lw-6.html

$$$$
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csChFnd80/10161910382D

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>  <Target> (362)
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>  <Form> (362)
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>  <CAS> (362)
743420-02-2

>  <URL> (362)
http://www.selleckchem.com/products/tucidinostat-chidamide.html

$$$$
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M  END
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3457

>  <Formula> (363)
C22H27N7O2S

>  <MolWeight> (363)
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>  <Cat> (363)
S8534

>  <Name> (363)
LY3214996

>  <Synonyms> (363)
N/A

>  <Target> (363)
ERK1,ERK2

>  <Form> (363)
free base

>  <CAS> (363)
1951483-29-6

>  <URL> (363)
http://www.selleckchem.com/products/ly3214996.html

$$$$
S3631 (S)-Methylisothiourea sulfate.cdx
csChFnd80/10161910382D

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?0.5H2SO4?
M  END
>  <Mol_ID> (364)
3462

>  <Formula> (364)
C2H6N2RS

>  <MolWeight> (364)
90.14744

>  <Cat> (364)
S3631

>  <Name> (364)
(S)-Methylisothiourea sulfate

>  <Synonyms> (364)
N/A

>  <Target> (364)
iNOS

>  <Form> (364)
sulfate

>  <CAS> (364)
867-44-7

>  <URL> (364)
http://www.selleckchem.com/products/s-methylisothiourea-sulfate.html

$$$$
PF-06409577.cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (365)
3465

>  <Formula> (365)
C19H16ClNO3

>  <MolWeight> (365)
341.78824

>  <Cat> (365)
S8335

>  <Name> (365)
PF-06409577

>  <Synonyms> (365)
N/A

>  <Target> (365)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (365)
free base

>  <CAS> (365)
1467057-23-3

>  <URL> (365)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/10161910382D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (366)
3478

>  <Formula> (366)
C12H8ClI

>  <MolWeight> (366)
314.54939

>  <Cat> (366)
S8639

>  <Name> (366)
Diphenyleneiodonium chloride (DPI)

>  <Synonyms> (366)
N/A

>  <Target> (366)
NADPH oxidase

>  <Form> (366)
chloride

>  <CAS> (366)
4673-26-1

>  <URL> (366)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

$$$$
ACY-738.cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (367)
3481

>  <Formula> (367)
C14H14N4O2

>  <MolWeight> (367)
270.28656

>  <Cat> (367)
S8648

>  <Name> (367)
ACY-738

>  <Synonyms> (367)
N/A

>  <Target> (367)
HDAC6

>  <Form> (367)
free base

>  <CAS> (367)
1375465-91-0

>  <URL> (367)
http://www.selleckchem.com/products/acy-738.html

$$$$
C188-9.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (368)
3498

>  <Formula> (368)
C27H21NO5S

>  <MolWeight> (368)
471.52434

>  <Cat> (368)
S8605

>  <Name> (368)
C188-9

>  <Synonyms> (368)
N/A

>  <Target> (368)
STAT3

>  <Form> (368)
free base

>  <CAS> (368)
432001-19-9

>  <URL> (368)
http://www.selleckchem.com/products/c188-9.html

$$$$
BAY 1895344.cdx
csChFnd80/10161910382D

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    6.0622    2.6261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    1.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.6261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1732    8.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
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 13 14  2  0  0  0  0
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 15 11  2  0  0  0  0
  3 16  1  0  0  0  0
  1 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 17  1  0  0  0  0
 22 27  1  1  0  0  0
 21 28  1  0  0  0  0
M  END
>  <Mol_ID> (369)
3505

>  <Formula> (369)
C20H22ClN7O

>  <MolWeight> (369)
411.88798

>  <Cat> (369)
S8666

>  <Name> (369)
BAY 1895344

>  <Synonyms> (369)
N/A

>  <Target> (369)
ATR

>  <Form> (369)
hydrochloride

>  <CAS> (369)
1876467-74-1(free base)

>  <URL> (369)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
CBL0137(CBL-0137).cdx
csChFnd80/10161910382D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.0124    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1798    6.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3124    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450    6.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8736    7.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    6.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8144    6.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7512    7.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3186    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9492    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    9.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020   10.8756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2554    9.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8227   10.8756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6248    9.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0999    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6751    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5297    1.9087    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  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 13  2  0  0  0  0
 13  1  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  4 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
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (370)
3506

>  <Formula> (370)
C21H25ClN2O2

>  <MolWeight> (370)
372.8884

>  <Cat> (370)
S8483

>  <Name> (370)
CBL0137(CBL-0137)

>  <Synonyms> (370)
CBLC137, Curaxin 137

>  <Target> (370)
FACT,p53,NF-¦ÊB 

>  <Form> (370)
hydrochloride

>  <CAS> (370)
1197397-89-9

>  <URL> (370)
http://www.selleckchem.com/products/cbl0137-cbl-0137.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/10161910382D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.1078    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    4.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  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 10  1  0  0  0  0
M  END
>  <Mol_ID> (371)
3512

>  <Formula> (371)
C8H16O2

>  <MolWeight> (371)
144.21144

>  <Cat> (371)
S3944

>  <Name> (371)
Valproic acid

>  <Synonyms> (371)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (371)
HDAC1

>  <Form> (371)
free base

>  <CAS> (371)
99-66-1

>  <URL> (371)
http://www.selleckchem.com/products/valproic-acid.html

$$$$
WT161.cdx
csChFnd80/10161910382D

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  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
  8 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  8  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 23 25  2  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (372)
3543

>  <Formula> (372)
C27H30N4O3

>  <MolWeight> (372)
458.5521

>  <Cat> (372)
S8495

>  <Name> (372)
WT161

>  <Synonyms> (372)
N/A

>  <Target> (372)
HDAC1,2,6

>  <Form> (372)
free base

>  <CAS> (372)
1206731-57-8

>  <URL> (372)
http://www.selleckchem.com/products/wt161.html

$$$$
2-D08.cdx
csChFnd80/10161910382D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (373)
3624

>  <Formula> (373)
C15H10O5

>  <MolWeight> (373)
270.2369

>  <Cat> (373)
S8696

>  <Name> (373)
2-D08
2-D08

>  <Synonyms> (373)
2',3',4'-trihydroxy flavone

>  <Target> (373)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (373)
free base

>  <CAS> (373)
144707-18-6

>  <URL> (373)
http://selleckchem.com/products/2-d08.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/10161910382D

 34 35  0  0  0  0  0  0  0  0999 V2000
   16.9741    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    6.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.5330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.2330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.2330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (374)
3667

>  <Formula> (374)
C21H17ClF4N4O4

>  <MolWeight> (374)
500.8306928

>  <Cat> (374)
S5077

>  <Name> (374)
Regorafenib Monohydrate

>  <Synonyms> (374)
N/A

>  <Target> (374)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (374)
monohydrate

>  <CAS> (374)
1019206-88-2

>  <URL> (374)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
S5304 2-Acetylphenothiazine.cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (375)
3677

>  <Formula> (375)
C14H11NOS

>  <MolWeight> (375)
241.30824

>  <Cat> (375)
S5304

>  <Name> (375)
2-Acetylphenothiazine (ML171)

>  <Synonyms> (375)
2-APT

>  <Target> (375)
NADPH-oxidase

>  <Form> (375)
free base

>  <CAS> (375)
6631-94-3

>  <URL> (375)
http://selleckchem.com/products/2-acetylphenothiazine-ml171.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/10161910382D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (376)
3701

>  <Formula> (376)
C23H18FN5O2

>  <MolWeight> (376)
415.4197232

>  <Cat> (376)
S8672

>  <Name> (376)
Tenalisib (RP6530)

>  <Synonyms> (376)
N/A

>  <Target> (376)
PI3K

>  <Form> (376)
free base

>  <CAS> (376)
1639417-53-0

>  <URL> (376)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
RAF709.cdx
csChFnd80/10161910382D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (377)
3716

>  <Formula> (377)
C28H29F3N4O4

>  <MolWeight> (377)
542.5494696

>  <Cat> (377)
S8690

>  <Name> (377)
RAF709

>  <Synonyms> (377)
N/A

>  <Target> (377)
Raf

>  <Form> (377)
free base

>  <CAS> (377)
1628838-42-5

>  <URL> (377)
http://selleckchem.com/products/raf709.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (378)
3759

>  <Formula> (378)
C10H16N5O8P

>  <MolWeight> (378)
365.236501

>  <Cat> (378)
S5284

>  <Name> (378)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (378)
5'-Adenylic acid, 5'-AMP

>  <Target> (378)
AMPK

>  <Form> (378)
hydrate 

>  <CAS> (378)
18422-05-4

>  <URL> (378)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5313 SC66.cdx
csChFnd80/10161910382D

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M  END
>  <Mol_ID> (379)
3781

>  <Formula> (379)
C18H16N2O

>  <MolWeight> (379)
276.33244

>  <Cat> (379)
S5313

>  <Name> (379)
SC66

>  <Synonyms> (379)
N/A

>  <Target> (379)
Akt

>  <Form> (379)
free base

>  <CAS> (379)
871361-88-5

>  <URL> (379)
http://selleckchem.com/products/sc66.html

$$$$
AZD1390.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (380)
3787

>  <Formula> (380)
C27H32FN5O2

>  <MolWeight> (380)
477.5736832

>  <Cat> (380)
S8680

>  <Name> (380)
AZD1390

>  <Synonyms> (380)
N/A

>  <Target> (380)
ATM/ATR

>  <Form> (380)
free base

>  <CAS> (380)
2089288-03-7

>  <URL> (380)
http://selleckchem.com/products/azd1390.html

$$$$
GSK'963.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (381)
3839

>  <Formula> (381)
C14H18N2O

>  <MolWeight> (381)
230.30552

>  <Cat> (381)
S8642

>  <Name> (381)
GSK'963

>  <Synonyms> (381)
N/A

>  <Target> (381)
NF-¦ÊB,TNF-alpha

>  <Form> (381)
free base

>  <CAS> (381)
2049868-46-2

>  <URL> (381)
http://selleckchem.com/products/gsk963.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/10161910382D

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>  <Mol_ID> (382)
3863

>  <Formula> (382)
C24H24F3N5O5S3

>  <MolWeight> (382)
615.6680696

>  <Cat> (382)
S5069

>  <Name> (382)
Dabrafenib Mesylate

>  <Synonyms> (382)
GSK2118436 Mesylate

>  <Target> (382)
Raf

>  <Form> (382)
mesylate

>  <CAS> (382)
1195768-06-9

>  <URL> (382)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/10161910382D

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    0.7000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (383)
3932

>  <Formula> (383)
C12H9ClO2S

>  <MolWeight> (383)
252.71666

>  <Cat> (383)
S5438

>  <Name> (383)
Biphenyl-4-sulfonyl chloride

>  <Synonyms> (383)
p-Phenylbenzenesulfonyl chloride, 4-Phenylbenzenesulfonyl chloride, p-Biphenylsulfonyl chloride

>  <Target> (383)
HDAC

>  <Form> (383)
free base

>  <CAS> (383)
1623-93-4

>  <URL> (383)
http://selleckchem.com/products/biphenyl-4-sulfonyl-chloride.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/10161910382D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6292    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9677    2.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8093    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (384)
3933

>  <Formula> (384)
C8H6BrN

>  <MolWeight> (384)
196.04394

>  <Cat> (384)
S5439

>  <Name> (384)
5-Bromoindole

>  <Synonyms> (384)
N/A

>  <Target> (384)
GSK-3

>  <Form> (384)
free base

>  <CAS> (384)
10075-50-0

>  <URL> (384)
http://selleckchem.com/products/5-bromoindole.html

$$$$
UM-164.cdx
csChFnd80/10161910382D

 45 49  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2152    9.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3076    7.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0922    7.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.6418    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
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
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 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 27  1  0  0  0  0
 30 34  1  0  0  0  0
  7 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
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 38 39  1  0  0  0  0
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 34 45  1  0  0  0  0
M  END
>  <Mol_ID> (385)
4035

>  <Formula> (385)
C30H31F3N8O3S

>  <MolWeight> (385)
640.6791496

>  <Cat> (385)
S8706

>  <Name> (385)
UM-164

>  <Synonyms> (385)
N/A

>  <Target> (385)
Src,p38 MAPK

>  <Form> (385)
free base

>  <CAS> (385)
903564-48-7

>  <URL> (385)
http://selleckchem.com/products/um-164.html

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/10161910382D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4335    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    2.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    2.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    2.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
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  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (386)
4140

>  <Formula> (386)
C8H6N2O

>  <MolWeight> (386)
146.14604

>  <Cat> (386)
S9360

>  <Name> (386)
4-Hydroxyquinazoline

>  <Form> (386)
free base

>  <CAS> (386)
491-36-1

$$$$
S9034 Isochlorogenic acid C.cdx
csChFnd80/10161910382D

 37 39  0  0  0  0  0  0  0  0999 V2000
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   10.7641    7.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9763    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  1  0  0  0
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 12 13  2  0  0  0  0
 11 14  2  0  0  0  0
 15 16  1  0  0  0  0
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 15 20  2  0  0  0  0
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 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
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 29 30  2  0  0  0  0
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 31 34  1  0  0  0  0
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 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> (387)
4226

>  <Formula> (387)
C25H24O12

>  <MolWeight> (387)
516.45086

>  <Cat> (387)
S9034

>  <Name> (387)
Isochlorogenic acid C

>  <Form> (387)
free base

>  <CAS> (387)
57378-72-0

$$$$
>  <Mol_ID> (388)
4283

>  <Cat> (388)
S9101

>  <Name> (388)
Ingenol

>  <Form> (388)
free base

>  <CAS> (388)
30220-46-3

$$$$
S9102 Magnolin.cdx
csChFnd80/10161910382D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
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Magnolin

>  <CAS> (389)
31008-18-1

$$$$
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>  <Mol_ID> (390)
4288

>  <Formula> (390)
C34H46O18

>  <MolWeight> (390)
742.71824

>  <Cat> (390)
S9106

>  <Name> (390)
Eleutheroside E

>  <Form> (390)
free base

>  <CAS> (390)
39432-56-9

$$$$
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csChFnd80/10161910382D

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>  <Mol_ID> (391)
4289

>  <Formula> (391)
C16H12O5

>  <MolWeight> (391)
284.26348

>  <Cat> (391)
S9107

>  <Name> (391)
Glycitein

>  <Form> (391)
free base

>  <CAS> (391)
40957-83-3

$$$$
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csChFnd80/10161910382D

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   12.1141    7.7406    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 49 50  1  0  0  0  0
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 50 51  1  0  0  0  0
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 30 51  1  0  0  0  0
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 24  1  1  1  0  0  0
  2  1  1  1  0  0  0
 30 55  1  6  0  0  0
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 38 58  1  6  0  0  0
 47 59  1  1  0  0  0
M  END
>  <Mol_ID> (392)
4603

>  <Formula> (392)
C42H72O13

>  <MolWeight> (392)
785.01328

>  <Cat> (392)
S9021

>  <Name> (392)
(20R)Ginsenoside Rg3

>  <Form> (392)
free base

>  <CAS> (392)
38243-03-7

$$$$
S5263 Pyrroloquinoline Quinone Disodium Salt.cdx
csChFnd80/10161910382D

 26 26  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
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 15 20  1  0  0  0  0
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 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <Mol_ID> (393)
4653

>  <Formula> (393)
C14H4N2Na2O8

>  <MolWeight> (393)
374.1697

>  <Cat> (393)
S5263

>  <Name> (393)
Pyrroloquinoline Quinone Disodium Salt

>  <Synonyms> (393)
pqq,methoxatin disodium salt

>  <Target> (393)
Others

>  <Form> (393)
disodium salt

>  <CAS> (393)
122628-50-6

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

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/10161910382D

 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
  2  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 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 12  1  0  0  0  0
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 20 16  1  0  0  0  0
 13 21  1  0  0  0  0
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 24 14  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (394)
4677

>  <Formula> (394)
C20H21N3O2

>  <MolWeight> (394)
335.39964

>  <Cat> (394)
S8049

>  <Name> (394)
Tubastatin A

>  <Target> (394)
others

>  <CAS> (394)
1252003-15-8

>  <URL> (394)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

csChFnd80/10161910382D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (395)
4824

>  <Formula> (395)
C11H15BrN2O

>  <MolWeight> (395)
271.1536

>  <Cat> (395)
S5810

>  <Name> (395)
UF010

>  <Synonyms> (395)
N/A

>  <Target> (395)
HDAC

>  <Form> (395)
Free Base

>  <CAS> (395)
537672-41-6 

>  <URL> (395)
http://www.selleckchem.com/products/uf010.html

$$$$

csChFnd80/10161910382D

 30 34  0  0  0  0  0  0  0  0999 V2000
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
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  7 30  1  0  0  0  0
M  END
>  <Mol_ID> (396)
4831

>  <Formula> (396)
C21H16FN7O

>  <MolWeight> (396)
401.3964432

>  <Cat> (396)
S5818

>  <Name> (396)
acalisib (GS-9820)

>  <Synonyms> (396)
CAL-120

>  <Target> (396)
PI3K

>  <Form> (396)
Free Base

>  <CAS> (396)
870281-34-8

>  <URL> (396)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/10161910382D

 14 13  0  0  0  0  0  0  0  0999 V2000
   10.9527    2.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1674    1.3332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (397)
4879

>  <Formula> (397)
C8H16N2O4

>  <MolWeight> (397)
204.22364

>  <Cat> (397)
S5905

>  <Name> (397)
Suberohydroxamic acid

>  <Synonyms> (397)
suberic bishydroxamic acid

>  <Target> (397)
HDAC

>  <Form> (397)
Free Base

>  <CAS> (397)
38937-66-5

>  <URL> (397)
http://www.selleckchem.com/products/suberohydroxamic-acid.html

$$$$

csChFnd80/10161910382D

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M  END
>  <Mol_ID> (398)
4909

>  <Formula> (398)
C25H21F3N6O3S

>  <MolWeight> (398)
542.5328496

>  <Cat> (398)
S7965

>  <Name> (398)
PLX8394

>  <Synonyms> (398)
N/A

>  <Target> (398)
Raf

>  <Form> (398)
Free Base

>  <CAS> (398)
1393466-87-9

>  <URL> (398)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/10161910382D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (399)
4913

>  <Formula> (399)
C24H28N4O3

>  <MolWeight> (399)
420.50412

>  <Cat> (399)
S8556

>  <Name> (399)
AZ31

>  <Synonyms> (399)
N/A

>  <Target> (399)
ATM/ATR

>  <Form> (399)
Free Base

>  <CAS> (399)
2088113-98-6

>  <URL> (399)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/10161910382D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (400)
4914

>  <Formula> (400)
C23H14ClF3N6O

>  <MolWeight> (400)
482.8450696

>  <Cat> (400)
S8560

>  <Name> (400)
Seletalisib (UCB-5857)

>  <Synonyms> (400)
N/A

>  <Target> (400)
PI3K

>  <Form> (400)
Free Base

>  <CAS> (400)
1362850-20-1

>  <URL> (400)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/10161910382D

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    9.0812    1.7478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883    6.5380    0.0000 F   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  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> (401)
4915

>  <Formula> (401)
C16H15FN4O

>  <MolWeight> (401)
298.3149032

>  <Cat> (401)
S8592

>  <Name> (401)
Pamiparib (BGB-290)

>  <Synonyms> (401)
N/A

>  <Target> (401)
PARP

>  <Form> (401)
Free Base

>  <CAS> (401)
1446261-44-4

>  <URL> (401)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/10161910382D

 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
    4.5792    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5480    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3709    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5480    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7709    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4709    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8709    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8709    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5709    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (402)
4918

>  <Formula> (402)
C24H18ClN3O3

>  <MolWeight> (402)
431.87102

>  <Cat> (402)
S8654

>  <Name> (402)
ex229 (compound 991)

>  <Synonyms> (402)
N/A

>  <Target> (402)
AMPK

>  <Form> (402)
Free Base

>  <CAS> (402)
1219739-36-2

>  <URL> (402)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/10161910382D

 25 28  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
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    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.8000    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
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    6.8895    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4936    8.1496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9262    9.4811    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 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> (403)
4926

>  <Formula> (403)
C20H16N4O

>  <MolWeight> (403)
328.36724

>  <Cat> (403)
S8729

>  <Name> (403)
AZ32

>  <Synonyms> (403)
N/A

>  <Target> (403)
ATM/ATR

>  <Form> (403)
Free Base

>  <CAS> (403)
No CAS

>  <URL> (403)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/10161910382D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 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
 23 24  1  0  0  0  0
 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> (404)
4928

>  <Formula> (404)
C17H20F3N7O2

>  <MolWeight> (404)
411.3816096

>  <Cat> (404)
S8738

>  <Name> (404)
Bimiralisib (PQR309)

>  <Synonyms> (404)
N/A

>  <Target> (404)
PI3K

>  <Form> (404)
Free Base

>  <CAS> (404)
1225037-39-7

>  <URL> (404)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/10161910382D

 36 39  0  0  0  0  0  0  0  0999 V2000
    8.4870   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (405)
4931

>  <Formula> (405)
C25H25F3N4O4

>  <MolWeight> (405)
502.4856096

>  <Cat> (405)
S8745

>  <Name> (405)
LXH254

>  <Synonyms> (405)
N/A

>  <Target> (405)
Raf

>  <Form> (405)
Free Base

>  <CAS> (405)
1800398-38-2

>  <URL> (405)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/10161910382D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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 17 11  1  0  0  0  0
 14 18  1  0  0  0  0
 19 18  1  6  0  0  0
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 20 21  1  0  0  0  0
 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
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 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
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M  END
>  <Mol_ID> (406)
4934

>  <Formula> (406)
C21H25F3N6O2

>  <MolWeight> (406)
450.4574096

>  <Cat> (406)
S8752

>  <Name> (406)
leniolisib(CDZ 173)

>  <Synonyms> (406)
N/A

>  <Target> (406)
PI3K

>  <Form> (406)
Free Base

>  <CAS> (406)
1354690-24-6

>  <URL> (406)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/10161910382D

 27 31  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
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
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 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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 19 20  1  0  0  0  0
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 23  8  1  0  0  0  0
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M  END
>  <Mol_ID> (407)
4943

>  <Formula> (407)
C23H32N2O2

>  <MolWeight> (407)
368.51238

>  <Cat> (407)
S8771

>  <Name> (407)
IDF-11774

>  <Synonyms> (407)
N/A

>  <Target> (407)
HIF

>  <Form> (407)
Free Base

>  <CAS> (407)
1429054-28-3

>  <URL> (407)
http://www.selleckchem.com/products/idf-11774.html

$$$$

csChFnd80/10161910382D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (408)
4945

>  <Formula> (408)
C15H16N2O2

>  <MolWeight> (408)
256.29974

>  <Cat> (408)
S8773

>  <Name> (408)
TH34

>  <Synonyms> (408)
N/A

>  <Target> (408)
HDAC

>  <Form> (408)
Free Base

>  <CAS> (408)
2196203-96-8

>  <URL> (408)
http://www.selleckchem.com/products/th34.html

$$$$

csChFnd80/10161910382D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (409)
4951

>  <Formula> (409)
C22H21F3N6O2

>  <MolWeight> (409)
458.4363496

>  <Cat> (409)
S8801

>  <Name> (409)
CC-90003

>  <Synonyms> (409)
N/A

>  <Target> (409)
ERK

>  <Form> (409)
Free Base

>  <CAS> (409)
1621999-82-3

>  <URL> (409)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/10161910382D

 33 37  0  0  0  0  0  0  0  0999 V2000
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    9.6881    6.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0184    6.7591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4813    4.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    4.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    6.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4738    7.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565    4.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0603    2.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2181    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4286    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0489    7.0131    0.0000 Cl  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
  3 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  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
 14 17  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 24 27  1  0  0  0  0
 18 21  1  0  0  0  0
 19 33  1  0  0  0  0
 11 12  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (410)
4952

>  <Formula> (410)
C27H19ClN2O3

>  <MolWeight> (410)
454.90436

>  <Cat> (410)
S8803

>  <Name> (410)
MK-3903

>  <Synonyms> (410)
N/A

>  <Target> (410)
AMPK

>  <Form> (410)
Free Base

>  <CAS> (410)
1219737-12-8

>  <URL> (410)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/10161910382D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0179    1.0772    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
  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
  9 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 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  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> (411)
5336

>  <Formula> (411)
C21H19ClNO4+

>  <MolWeight> (411)
384.83286

>  <Cat> (411)
S1292

>  <Name> (411)
Chelerythrine Chloride

>  <Synonyms> (411)
N/A

>  <Target> (411)
PKC

>  <Form> (411)
Chloride

>  <CAS> (411)
3895-92-9

>  <URL> (411)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/10161910382D

 23 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4020    0.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9715    1.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1486    2.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5008    5.1070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  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
 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
 14 22  1  0  0  0  0
 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (412)
5356

>  <Formula> (412)
C19H17N3O

>  <MolWeight> (412)
303.35778

>  <Cat> (412)
S2382

>  <Name> (412)
Evodiamine

>  <Synonyms> (412)
Isoevodiamine

>  <Target> (412)
NF-¦ÊB

>  <Form> (412)
Free Base

>  <CAS> (412)
518-17-2

>  <URL> (412)
http://www.selleck.cn/products/Evodiamine(Isoevodiamine).html

$$$$

csChFnd80/10161910382D

 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
    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
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 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> (413)
5363

>  <Formula> (413)
C13H8Cl2N2O4

>  <MolWeight> (413)
327.11962

>  <Cat> (413)
S3030

>  <Name> (413)
Niclosamide

>  <Synonyms> (413)
Niclocide

>  <Target> (413)
STAT

>  <Form> (413)
Free Base

>  <CAS> (413)
50-65-7

>  <URL> (413)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

csChFnd80/10161910382D

 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
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    3.6402    8.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8870   11.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8868   12.5720    0.0000 C   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
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 29 19  1  0  0  0  0
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 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> (414)
5406

>  <Formula> (414)
C23H26N6O2

>  <MolWeight> (414)
418.49154

>  <Cat> (414)
S6414

>  <Name> (414)
Apilimod

>  <Synonyms> (414)
STA-5326

>  <Target> (414)
PI3K

>  <Form> (414)
Free Base

>  <CAS> (414)
541550-19-0

>  <URL> (414)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/10161910382D

 32 36  0  0  0  0  0  0  0  0999 V2000
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   10.8827    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  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
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  7 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  7  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 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
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 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> (415)
5472

>  <Formula> (415)
C23H20FN7O

>  <MolWeight> (415)
429.4496032

>  <Cat> (415)
S8693

>  <Name> (415)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (415)
N/A

>  <Target> (415)
PI3K

>  <Form> (415)
Free Base

>  <CAS> (415)
2088525-31-7

>  <URL> (415)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/10161910382D

 50 56  0  0  0  0  0  0  0  0999 V2000
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 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
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 20 44  1  1  0  0  0
 44 45  1  0  0  0  0
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 49  8  1  0  0  0  0
 47 50  1  0  0  0  0
M  END
>  <Mol_ID> (416)
5473

>  <Formula> (416)
C37H41N9O3S

>  <MolWeight> (416)
691.84494

>  <Cat> (416)
S8701

>  <Name> (416)
MK-8353 (SCH900353)

>  <Synonyms> (416)
N/A

>  <Target> (416)
ERK

>  <Form> (416)
Free Base

>  <CAS> (416)
1184173-73-6

>  <URL> (416)
http://www.selleck.cn/products/mk-8353-sch900353.html

$$$$

csChFnd80/10161910382D

 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
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  4  7  1  0  0  0  0
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M  END
>  <Mol_ID> (417)
5477

>  <Formula> (417)
C19H28Cl2N4O2

>  <MolWeight> (417)
415.35722

>  <Cat> (417)
S8769

>  <Name> (417)
Tinostamustine(EDO-S101)

>  <Synonyms> (417)
N/A

>  <Target> (417)
HDAC

>  <Form> (417)
Free Base

>  <CAS> (417)
1236199-60-2

>  <URL> (417)
http://www.selleck.cn/products/tinostamustine.html

$$$$

csChFnd80/10161910382D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    1.3923   12.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618   13.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.1384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1389   14.6963    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  1  1  0  0  0  0
  3  6  1  0  0  0  0
  2  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
  7 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  7  1  0  0  0  0
  6 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
 24  6  1  0  0  0  0
 22 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
M  END
>  <Mol_ID> (418)
6755

>  <Formula> (418)
C20H20ClN5O2

>  <MolWeight> (418)
397.8581

>  <Cat> (418)
S6502

>  <Name> (418)
SD 0006

>  <Synonyms> (418)
N/A

>  <Target> (418)
p38 MAPK

>  <Form> (418)
free base

>  <CAS> (418)
271576-80-8

>  <URL> (418)
http://www.selleck.cn/products/sd-0006.html

$$$$

csChFnd80/10161910382D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3935    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8264    3.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8364    4.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7652    5.4340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1958    4.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2361    3.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4485    3.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1576    5.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  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
  5 13  1  0  0  0  0
  8 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 16 20  1  0  0  0  0
 14 17  1  0  0  0  0
  7 14  2  0  0  0  0
  6 21  2  0  0  0  0
  1 10  1  0  0  0  0
M  END
>  <Mol_ID> (419)
6757

>  <Formula> (419)
C15H14N4O2

>  <MolWeight> (419)
282.29726

>  <Cat> (419)
S6504

>  <Name> (419)
BX517

>  <Synonyms> (419)
N/A

>  <Target> (419)
PDK

>  <Form> (419)
free base

>  <CAS> (419)
850717-64-5

>  <URL> (419)
http://www.selleck.cn/products/bx517.html

$$$$

csChFnd80/10161910382D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  9  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
 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
 10 11  1  0  0  0  0
 19 11  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 14  1  0  0  0  0
 17 15  1  0  0  0  0
 20 16  2  0  0  0  0
 19 21  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (420)
6759

>  <Formula> (420)
C16H15N3O2

>  <MolWeight> (420)
281.3092

>  <Cat> (420)
S6506

>  <Name> (420)
Compound 401

>  <Synonyms> (420)
N/A

>  <Target> (420)
DNA-PK

>  <Form> (420)
free base

>  <CAS> (420)
168425-64-7

>  <URL> (420)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/10161910382D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.5622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.6622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.7622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    7.1948    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5290    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5290    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9290    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6290    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9290    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6290    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.8414    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4166    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.8622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    3.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 10 14  1  0  0  0  0
 11 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 21 24  1  0  0  0  0
 17 18  1  0  0  0  0
 15 17  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
 28 33  1  0  0  0  0
 12 30  1  0  0  0  0
 14 34  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (421)
6767

>  <Formula> (421)
C21H28N8O3S2

>  <MolWeight> (421)
504.62882

>  <Cat> (421)
S6516

>  <Name> (421)
GNE-477

>  <Synonyms> (421)
N/A

>  <Target> (421)
PI3K

>  <Form> (421)
free base

>  <CAS> (421)
1032754-81-6

>  <URL> (421)
http://www.selleck.cn/products/gne-477.html

$$$$

csChFnd80/10161910382D

 38 42  0  0  0  0  0  0  0  0999 V2000
    3.8249   10.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    9.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    8.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    8.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    9.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   10.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249   12.0524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    9.9524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.0524    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4524    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.4524    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   10.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    9.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746   10.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746   12.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622   12.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   12.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    7.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    8.5524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    9.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995   10.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    9.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    8.5524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8466    7.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4161    6.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8084    6.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7452    5.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3126    4.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2494    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6188    3.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0514    4.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1146    5.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5555    2.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1229    0.9900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7535    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1129    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  4 10  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
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 29 30  1  0  0  0  0
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 29 34  2  0  0  0  0
 36 37  1  0  0  0  0
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 32 35  1  0  0  0  0
 28 29  1  0  0  0  0
 16 24  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
>  <Mol_ID> (422)
6783

>  <Formula> (422)
C29H24F3N5O

>  <MolWeight> (422)
515.5289696

>  <Cat> (422)
S6538

>  <Name> (422)
B-Raf IN 1

>  <Synonyms> (422)
N/A

>  <Target> (422)
Raf

>  <Form> (422)
free base

>  <CAS> (422)
950736-05-7

>  <URL> (422)
http://www.selleck.cn/products/b-rafin-1.html

$$$$

csChFnd80/10161910382D

 31 34  0  0  0  0  0  0  0  0999 V2000
   15.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000    1.2123    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875    0.5123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9125    1.9123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000    2.4248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    1.2123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    8.4869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    8.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    4.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.8496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8496    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.2746    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  1  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 12 21  2  0  0  0  0
 16 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 23 28  2  0  0  0  0
 26 29  1  0  0  0  0
 25 30  1  0  0  0  0
 15 22  1  0  0  0  0
  9 18  1  0  0  0  0
  6 31  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (423)
6784

>  <Formula> (423)
C20H14Cl2FN5O2S

>  <MolWeight> (423)
478.3268632

>  <Cat> (423)
S6541

>  <Name> (423)
MTX-211

>  <Synonyms> (423)
N/A

>  <Target> (423)
EGFR

>  <Form> (423)
free base

>  <CAS> (423)
1952236-05-3

>  <URL> (423)
http://www.selleck.cn/products/mtx-211.html

$$$$

csChFnd80/10161910382D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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
    1.2124    2.1000    0.0000 N   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
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    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
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  7 16  2  0  0  0  0
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
 20 23  1  0  0  0  0
 25 26  1  0  0  0  0
 19 25  1  0  0  0  0
 14 17  1  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (424)
6798

>  <Formula> (424)
C19H20N4O3

>  <MolWeight> (424)
352.3871

>  <Cat> (424)
S6571

>  <Name> (424)
BQR695

>  <Synonyms> (424)
NVP-BQR695

>  <Target> (424)
PI4K

>  <Form> (424)
free base

>  <CAS> (424)
1513879-21-4

>  <URL> (424)
http://www.selleck.cn/products/bqr695.html

$$$$

csChFnd80/10161910382D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.6993    8.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    8.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.8464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    8.2463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    6.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0307    8.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8538    7.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0308    6.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.8462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4635    5.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5267    4.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9593    2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3287    2.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2654    3.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8327    4.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7614    1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1442    0.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0251    1.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    8.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0462    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  1  7  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 16 19  1  0  0  0  0
  9 13  1  0  0  0  0
 12 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 27 30  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
>  <Mol_ID> (425)
6800

>  <Formula> (425)
C22H18ClN5O2

>  <MolWeight> (425)
419.86362

>  <Cat> (425)
S6574

>  <Name> (425)
KDU691

>  <Synonyms> (425)
N/A

>  <Target> (425)
PI4K

>  <Form> (425)
free base

>  <CAS> (425)
1513879-19-0

>  <URL> (425)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/10161910382D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (426)
6803

>  <Formula> (426)
C20H25F3N6O3

>  <MolWeight> (426)
454.4461096

>  <Cat> (426)
S6577

>  <Name> (426)
PKC-theta inhibitor

>  <Synonyms> (426)
N/A

>  <Target> (426)
PKC

>  <Form> (426)
free base

>  <CAS> (426)
736048-65-0

>  <URL> (426)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/10161910382D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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 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> (427)
6823

>  <Formula> (427)
C21H24N4O4

>  <MolWeight> (427)
396.43966

>  <Cat> (427)
S8743

>  <Name> (427)
SKLB-23bb

>  <Synonyms> (427)
N/A

>  <Target> (427)
HDAC

>  <Form> (427)
free base

>  <CAS> (427)
1815580-06-3

>  <URL> (427)
http://www.selleck.cn/products/sklb-23bb.html

$$$$
