untitled.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (1)
2

>  <Formula> (1)
C21H18FN5O

>  <MolWeight> (1)
375.3989232

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S1003

>  <Name> (1)
Linifanib (ABT-869)

>  <Synonyms> (1)
AL-39324

>  <Target> (1)
PDGFR, VEGFR

>  <Form> (1)
Free Base

>  <CAS> (1)
796967-16-3

>  <URL> (1)
http://www.selleckchem.com/products/ABT-869.html

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (2)
17

>  <Formula> (2)
C43H42ClFN4O10S3

>  <MolWeight> (2)
925.4607832

>  <Cat> (2)
S1028

>  <Name> (2)
Lapatinib (GW-572016) Ditosylate

>  <Synonyms> (2)
GW-57201

>  <Target> (2)
EGFR, HER2

>  <Form> (2)
Ditosylat

>  <CAS> (2)
388082-77-7

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

$$$$
untitled.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (3)
22

>  <Formula> (3)
C21H24ClN7O2S

>  <MolWeight> (3)
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>  <Cat> (3)
S1035

>  <Name> (3)
Pazopanib HCl

>  <Synonyms> (3)
GW786034

>  <Target> (3)
VEGFR, PDGFR, c-Kit

>  <Form> (3)
Hydrochloride

>  <CAS> (3)
635702-64-6

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

$$$$
untitled.cdx
csChFnd80/10112110492D

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42

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C22H16N4O3

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>  <Synonyms> (4)
N/A

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TGF-beta/Smad

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Free Base

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301836-41-9

>  <URL> (4)
http://www.selleckchem.com/products/SB-431542.html

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S31-201.cdx
csChFnd80/10112110492D

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>  <Formula> (5)
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>  <MolWeight> (5)
365.3578

>  <Cat> (5)
S1155

>  <Name> (5)
NSC 74859 (S3I-201)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
STAT

>  <Form> (5)
Free Base

>  <CAS> (5)
501919-59-1

>  <URL> (5)
http://www.selleckchem.com/products/S31-201.html

$$$$
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csChFnd80/10112110492D

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>  <Mol_ID> (6)
98

>  <Formula> (6)
C27H27N5O3

>  <MolWeight> (6)
469.53498

>  <Cat> (6)
S1167

>  <Name> (6)
CP-724714

>  <Synonyms> (6)
N/A

>  <Target> (6)
EGFR, HER2

>  <Form> (6)
Free Base

>  <CAS> (6)
537705-08-1

>  <URL> (6)
http://www.selleckchem.com/products/CP-724714.html

$$$$
ENMD-2076.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (7)
110

>  <Formula> (7)
C21H25N7

>  <MolWeight> (7)
375.4701

>  <Cat> (7)
S1181

>  <Name> (7)
ENMD-2076

>  <Synonyms> (7)
N/A 

>  <Target> (7)
Flt, Aurora Kinase, VEGFR

>  <Form> (7)
Tartaric Acid 

>  <CAS> (7)
934353-76-1

>  <URL> (7)
http://www.selleckchem.com/products/ENMD-2076.html

$$$$
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csChFnd80/10112110492D

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M  END
>  <Mol_ID> (8)
116

>  <Formula> (8)
C23H21F7N4O3

>  <MolWeight> (8)
534.4266624

>  <Cat> (8)
S1189

>  <Name> (8)
Aprepitant (MK-0869)

>  <Synonyms> (8)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (8)
Substance P

>  <Form> (8)
Free Base

>  <CAS> (8)
170729-80-3

>  <URL> (8)
http://www.selleckchem.com/products/Aprepitant.html

$$$$
S119401 CUDC-101.cdx
csChFnd80/10112110492D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (9)
120

>  <Formula> (9)
C24H26N4O4

>  <MolWeight> (9)
434.48764

>  <Cat> (9)
S1194

>  <Name> (9)
CUDC-101

>  <Synonyms> (9)
N/A

>  <Target> (9)
HDAC, EGFR, HER2

>  <Form> (9)
Free Base

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

>  <URL> (9)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
OSI-930.cdx
csChFnd80/10112110492D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (10)
132

>  <Formula> (10)
C22H16F3N3O2S

>  <MolWeight> (10)
443.4415496

>  <Cat> (10)
S1220

>  <Name> (10)
OSI-930

>  <Synonyms> (10)
N/A

>  <Target> (10)
c-Kit, VEGFR

>  <Form> (10)
Free Base

>  <CAS> (10)
728033-96-3

>  <URL> (10)
http://www.selleckchem.com/products/OSI-930.html

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (11)
138

>  <Formula> (11)
C10H13FN5O7P

>  <MolWeight> (11)
365.2116842

>  <Cat> (11)
S1229

>  <Name> (11)
Fludarabine Phosphate (Fludara)

>  <Synonyms> (11)
N/A 

>  <Target> (11)
DNA/RNA Synthesis

>  <Form> (11)
Phosphate

>  <CAS> (11)
75607-67-9

>  <URL> (11)
http://www.selleckchem.com/products/Fludara.html

$$$$
resveratrol.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (12)
251

>  <Formula> (12)
C14H12O3

>  <MolWeight> (12)
228.24328

>  <Cat> (12)
S1396

>  <Name> (12)
Resveratrol

>  <Synonyms> (12)
N/A

>  <Target> (12)
Sirtuin

>  <Form> (12)
Free Base

>  <CAS> (12)
501-36-0

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

$$$$
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SB 525334

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N/A

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TGF-beta/Smad

>  <Form> (13)
Free Base

>  <CAS> (13)
356559-20-1

>  <URL> (13)
http://www.selleckchem.com/products/SB-525334.html

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AEE-788.cdx
csChFnd80/10112110492D

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304

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C27H32N6

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440.58318

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S1486

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AEE788 (NVP-AEE788)

>  <Synonyms> (14)
N/A 

>  <Target> (14)
EGFR, Flt, VEGFR, HER2

>  <Form> (14)
Free Base

>  <CAS> (14)
497839-62-0

>  <URL> (14)
http://www.selleckchem.com/products/AEE788.html

$$$$
Fludarabine.cdx
csChFnd80/10112110492D

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309

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C10H12FN5O4

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285.2317832

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S1491

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Fludarabine (Fludara)

>  <Synonyms> (15)
F-ara-A, NSC 118218 

>  <Target> (15)
STAT, DNA/RNA Synthesis

>  <Form> (15)
Free Base

>  <CAS> (15)
21679-14-1

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

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/10112110492D

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312

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C10H14N4O4

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S1504

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Dyphylline (Dilor)

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Neothylline, Lufyllin, diprophylline

>  <Target> (16)
PDE

>  <Form> (16)
Free Base

>  <CAS> (16)
479-18-5

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

$$$$
DMXAA.cdx
csChFnd80/10112110492D

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332

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C17H14O4

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DMXAA (Vadimezan)

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AS-1404, 5,6-MeXAA, NSC-640488, Vadimezan 

>  <Target> (17)
VDA

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Free Base

>  <CAS> (17)
117570-53-3

>  <URL> (17)
http://www.selleckchem.com/products/DMXAA(ASA404).html

$$$$
Artesunate.cdx
csChFnd80/10112110492D

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   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
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 16  3  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (18)
391

>  <Formula> (18)
C19H28O8

>  <MolWeight> (18)
384.42082

>  <Cat> (18)
S2265

>  <Name> (18)
Artesunate

>  <Synonyms> (18)
N/A

>  <Target> (18)
STAT

>  <Form> (18)
Free Base

>  <CAS> (18)
88495-63-0

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

$$$$
AMINOPHYLLINE (aminophylline).cdx
csChFnd80/10112110492D

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.7540    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1747    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3829    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    7.3257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    9.4230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0102    7.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    6.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    9.1559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (19)
406

>  <Formula> (19)
C16H24N10O4

>  <MolWeight> (19)
420.42636

>  <Cat> (19)
S1673

>  <Name> (19)
Aminophylline (Truphylline)

>  <Synonyms> (19)
Somopphyllin, Aminocadol, Phyllocontin 

>  <Target> (19)
PDE

>  <Form> (19)
Ethylenediamine

>  <CAS> (19)
317-34-0 

>  <URL> (19)
http://www.selleckchem.com/products/Aminophylline(Truphylline).html

$$$$
untitled.cdx
csChFnd80/10112110492D

 37 41  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (20)
497

>  <Formula> (20)
C29H41F2N5O

>  <MolWeight> (20)
513.6655464

>  <Cat> (20)
S2003

>  <Name> (20)
Maraviroc

>  <Synonyms> (20)
UK-427857, Celsentri 

>  <Target> (20)
CCR5 

>  <Form> (20)
Free Base

>  <CAS> (20)
376348-65-1

>  <URL> (20)
http://www.selleckchem.com/products/Maraviroc.html

$$$$
Arry-380.cdx
csChFnd80/10112110492D

 41 46  0  0  0  0  0  0  0  0999 V2000
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937265-83-3

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N/A

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TGF-beta/Smad

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Free Base

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452342-67-5

>  <URL> (22)
http://www.selleckchem.com/products/gw788388.html

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M  END
>  <Mol_ID> (25)
587

>  <Formula> (25)
C26H25ClF3N5O3

>  <MolWeight> (25)
547.9566096

>  <Cat> (25)
S2784

>  <Name> (25)
TAK-285

>  <Synonyms> (25)
N/A

>  <Target> (25)
EGFR, HER2

>  <Form> (25)
Free Base

>  <CAS> (25)
871026-44-7

>  <URL> (25)
http://www.selleckchem.com/products/tak-285.html

$$$$
Istradefylline (KW-6002).cdx
csChFnd80/10112110492D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
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  1 12  1  0  0  0  0
 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (26)
591

>  <Formula> (26)
C20H24N4O4

>  <MolWeight> (26)
384.42896

>  <Cat> (26)
S2790

>  <Name> (26)
Istradefylline (KW-6002)

>  <Synonyms> (26)
N/A

>  <Target> (26)
Adenosine Receptor

>  <Form> (26)
Free Base

>  <CAS> (26)
155270-99-8

>  <URL> (26)
http://www.selleckchem.com/products/istradefylline-kw-6002.html

$$$$
Bindarit.cdx
csChFnd80/10112110492D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
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M  END
>  <Mol_ID> (27)
607

>  <Formula> (27)
C19H20N2O3

>  <MolWeight> (27)
324.3737

>  <Cat> (27)
S3032

>  <Name> (27)
Bindarit

>  <Synonyms> (27)
N/A 

>  <Target> (27)
Others

>  <Form> (27)
Free Base

>  <CAS> (27)
130641-38-2

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

$$$$
Palmatine hydrochloride.cdx
csChFnd80/10112110492D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (28)
630

>  <Formula> (28)
C21H22ClNO4

>  <MolWeight> (28)
387.85668

>  <Cat> (28)
S2397

>  <Name> (28)
Palmatine chloride

>  <Synonyms> (28)
Palmatine hydrochloride

>  <Target> (28)
Others

>  <Form> (28)
Chloride

>  <CAS> (28)
10605-02-4

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

$$$$
AZD8931.cdx
csChFnd80/10112110492D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (29)
671

>  <Formula> (29)
C23H25ClFN5O3

>  <MolWeight> (29)
473.9277032

>  <Cat> (29)
S2192

>  <Name> (29)
AZD8931

>  <Synonyms> (29)
N/A

>  <Target> (29)
EGFR, HER2

>  <Form> (29)
Free Base

>  <CAS> (29)
848942-61-0

>  <URL> (29)
http://www.selleckchem.com/products/AZD8931.html

$$$$
Mubritinib.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (30)
684

>  <Formula> (30)
C25H23F3N4O2

>  <MolWeight> (30)
468.4709296

>  <Cat> (30)
S2216

>  <Name> (30)
Mubritinib (TAK 165)

>  <Synonyms> (30)
TAK 165, TAK165

>  <Target> (30)
HER2

>  <Form> (30)
Free Base

>  <CAS> (30)
366017-09-6

>  <URL> (30)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (31)
689

>  <Formula> (31)
C22H18O11

>  <MolWeight> (31)
458.37172

>  <Cat> (31)
S2250

>  <Name> (31)
(-)-Epigallocatechin gallate

>  <Synonyms> (31)
EGCG

>  <Target> (31)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (31)
Free Base

>  <CAS> (31)
989-51-5

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

$$$$
Cryptotanshinone.cdx
csChFnd80/10112110492D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (32)
713

>  <Formula> (32)
C19H20O3

>  <MolWeight> (32)
296.3603

>  <Cat> (32)
S2285

>  <Name> (32)
Cryptotanshinone

>  <Synonyms> (32)
N/A

>  <Target> (32)
STAT

>  <Form> (32)
Free Base

>  <CAS> (32)
35825-57-1

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

$$$$
Hesperetin.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (33)
730

>  <Formula> (33)
C16H14O6

>  <MolWeight> (33)
302.27876

>  <Cat> (33)
S2308

>  <Name> (33)
Hesperetin

>  <Synonyms> (33)
N/A

>  <Target> (33)
Histamine Receptor

>  <Form> (33)
Free Base

>  <CAS> (33)
520-33-2

>  <URL> (33)
http://www.selleckchem.com/products/Hesperetin.html

$$$$
Nobiletin.cdx
csChFnd80/10112110492D

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MMP

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Free Base

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478-01-3

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

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N/A 

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TGF-beta/Smad

>  <Form> (35)
Free Base

>  <CAS> (35)
700874-72-2

>  <URL> (35)
http://www.selleckchem.com/products/ly2157299.html

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901

>  <Formula> (36)
C21H27N7O3

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425.48418

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S1113

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GSK690693

>  <Synonyms> (36)
N/A

>  <Target> (36)
Akt

>  <Form> (36)
Free Base

>  <CAS> (36)
937174-76-0

>  <URL> (36)
http://www.selleckchem.com/products/GSK690693.html

$$$$
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C24H25ClFN5O2

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Dacomitinib (PF299804, PF-00299804)

>  <Synonyms> (37)
N/A

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EGFR

>  <Form> (37)
Free Base

>  <CAS> (37)
1110813-31-4

>  <URL> (37)
http://www.selleckchem.com/products/pf299804.html

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M  END
>  <Mol_ID> (38)
1036

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C12H10FN3O2S

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S2824

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TPCA-1

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N/A 

>  <Target> (38)
IKK

>  <Form> (38)
Free Base

>  <CAS> (38)
507475-17-4

>  <URL> (38)
http://www.selleckchem.com/products/tpca-1.html

$$$$
WHI-P154.cdx
csChFnd80/10112110492D

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1087

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WHI-P154

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>  <Target> (39)
JAK, EGFR

>  <Form> (39)
Free Base

>  <CAS> (39)
211555-04-3

>  <URL> (39)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Inosine.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (40)
1096

>  <Formula> (40)
C10H12N4O5

>  <MolWeight> (40)
268.22608

>  <Cat> (40)
S2442

>  <Name> (40)
Inosine

>  <Synonyms> (40)
N/A

>  <Target> (40)
Others

>  <Form> (40)
Free Base

>  <CAS> (40)
58-63-9

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

$$$$
Pirfenidone.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (41)
1123

>  <Formula> (41)
C12H11NO

>  <MolWeight> (41)
185.22184

>  <Cat> (41)
S2907

>  <Name> (41)
Pirfenidone

>  <Synonyms> (41)
N/A

>  <Target> (41)
TGF-beta/Smad

>  <Form> (41)
Free Base

>  <CAS> (41)
53179-13-8

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

$$$$
PF477736.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (42)
1150

>  <Formula> (42)
C22H25N7O2

>  <MolWeight> (42)
419.4796

>  <Cat> (42)
S2904

>  <Name> (42)
PF 477736

>  <Synonyms> (42)
PF-00477736

>  <Target> (42)
Chk

>  <Form> (42)
Free Base

>  <CAS> (42)
952021-60-2

>  <URL> (42)
http://www.selleckchem.com/products/pf-477736.html

$$$$
WZ 811.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (43)
1158

>  <Formula> (43)
C18H18N4

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WZ 811

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N/A

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CXCR

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Free Base

>  <CAS> (43)
55778-02-4

>  <URL> (43)
http://www.selleckchem.com/products/wz-811.html

$$$$
MICROSUL (sulfamethizole).cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (44)
1181

>  <Formula> (44)
C9H10N4O2S2

>  <MolWeight> (44)
270.3313

>  <Cat> (44)
S1957

>  <Name> (44)
Sulfamethizole (Proklar)

>  <Synonyms> (44)
Proklar

>  <Target> (44)
Antifection

>  <Form> (44)
Free Base

>  <CAS> (44)
144-82-1

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

$$$$
Pazopanib.cdx
csChFnd80/10112110492D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (45)
1230

>  <Formula> (45)
C21H23N7O2S

>  <MolWeight> (45)
437.51802

>  <Cat> (45)
S3012

>  <Name> (45)
Pazopanib

>  <Synonyms> (45)
N/A

>  <Target> (45)
VEGFR

>  <Form> (45)
Free Base

>  <CAS> (45)
444731-52-6

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

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/10112110492D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (46)
1237

>  <Formula> (46)
C18H14N4O5S

>  <MolWeight> (46)
398.39256

>  <Cat> (46)
S1576

>  <Name> (46)
Sulfasalazine (Azulfidine)

>  <Synonyms> (46)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (46)
COX,NF-¦ÊB

>  <Form> (46)
Free Base

>  <CAS> (46)
599-79-1

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

$$$$
CGS-21680 hydrochloride.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (47)
1244

>  <Formula> (47)
C23H30ClN7O6

>  <MolWeight> (47)
535.9806

>  <Cat> (47)
S2153

>  <Name> (47)
CGS 21680 HCl

>  <Synonyms> (47)
N/A

>  <Target> (47)
5-alpha Reductase

>  <Form> (47)
Hydrochloride

>  <CAS> (47)
124431-80-7

>  <URL> (47)
http://www.selleckchem.com/products/CGS-21680-hydrochloride.html

$$$$
Doxofylline.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (48)
1359

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C11H14N4O4

>  <MolWeight> (48)
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Doxofylline

>  <Synonyms> (48)
N/A

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PDE

>  <Form> (48)
Free Base

>  <CAS> (48)
69975-86-6

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

$$$$
nifuroxazide.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (49)
1364

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Nifuroxazide

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>  <Target> (49)
STAT

>  <Form> (49)
Free Base

>  <CAS> (49)
965-52-6

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

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (50)
1446

>  <Formula> (50)
C11H12N4O3S

>  <MolWeight> (50)
280.30298

>  <Cat> (50)
S4250

>  <Name> (50)
Sulfamethoxypyridazine

>  <Synonyms> (50)
N/A

>  <Target> (50)
Antifection

>  <Form> (50)
Free Base

>  <CAS> (50)
80-35-3

>  <URL> (50)
http://www.selleckchem.com/products/sulfamethoxypyridazine.html

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/10112110492D

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>  <Mol_ID> (51)
1521

>  <Formula> (51)
C24H25ClFN5O3

>  <MolWeight> (51)
485.9384032

>  <Cat> (51)
S1011

>  <Name> (51)
Afatinib (BIBW2992)

>  <Synonyms> (51)
N/A

>  <Target> (51)
EGFR

>  <Form> (51)
Free Base

>  <CAS> (51)
439081-18-2

>  <URL> (51)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (52)
1535

>  <Formula> (52)
C25H31N7O6

>  <MolWeight> (52)
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>  <Cat> (52)
S2018

>  <Name> (52)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (52)
N/A

>  <Target> (52)
FLT3

>  <Form> (52)
Free Base

>  <CAS> (52)
1291074-87-7

>  <URL> (52)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
PF-2341066.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (53)
1542

>  <Formula> (53)
C21H22Cl2FN5O

>  <MolWeight> (53)
450.3366832

>  <Cat> (53)
S1068

>  <Name> (53)
Crizotinib (PF-02341066)

>  <Synonyms> (53)
N/A 

>  <Target> (53)
c-Met, ALK

>  <Form> (53)
Free Base

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

>  <URL> (53)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
BMS-599626 (AC480).cdx
csChFnd80/10112110492D

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>  <Mol_ID> (54)
1552

>  <Formula> (54)
C27H27FN8O3

>  <MolWeight> (54)
530.5534832

>  <Cat> (54)
S1056

>  <Name> (54)
AC480 (BMS-599626)

>  <Synonyms> (54)
N/A

>  <Target> (54)
HER2

>  <Form> (54)
Free Base

>  <CAS> (54)
714971-09-2

>  <URL> (54)
http://www.selleckchem.com/products/BMS-599626.html

$$$$
S4719 Kynurenic acid.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (55)
1691

>  <Formula> (55)
C10H7NO3

>  <MolWeight> (55)
189.16748

>  <Cat> (55)
S4719

>  <Name> (55)
Kynurenic acid

>  <Synonyms> (55)
Quinurenic acid|Kynurenate

>  <Target> (55)
Others

>  <Form> (55)
Free Base

>  <CAS> (55)
492-27-3

>  <URL> (55)
http://www.selleckchem.com/products/kynurenic-acid.html

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (56)
1825

>  <Formula> (56)
C17H17N3Na2O8

>  <MolWeight> (56)
437.31172

>  <Cat> (56)
S3745

>  <Name> (56)
Balsalazide disodium

>  <Synonyms> (56)
N/A

>  <Target> (56)
Immunology & Inflammation related

>  <Form> (56)
disodium salt dihydrate

>  <CAS> (56)
150399-21-6

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

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/10112110492D

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 15 20  2  0  0  0  0
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 17 22  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (57)
1868

>  <Formula> (57)
C18H22O4

>  <MolWeight> (57)
302.36488

>  <Cat> (57)
S3984

>  <Name> (57)
Nordihydroguaiaretic acid

>  <Synonyms> (57)
N/A

>  <Target> (57)
lipoxygenase

>  <Form> (57)
free base

>  <CAS> (57)
500-38-9

>  <URL> (57)
http://www.selleckchem.com/products/nordihydroguaiaretic-acid.html

$$$$
S3840 Baohuoside I.cdx
csChFnd80/10112110492D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  3 17  1  0  0  0  0
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 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 33 28  1  0  0  0  0
 29 34  1  1  0  0  0
 32 35  1  1  0  0  0
 30 36  1  1  0  0  0
 31 37  1  6  0  0  0
M  END
>  <Mol_ID> (58)
1892

>  <Formula> (58)
C27H30O10

>  <MolWeight> (58)
514.5211

>  <Cat> (58)
S3840

>  <Name> (58)
Baohuoside I

>  <Synonyms> (58)
Icariside II

>  <Target> (58)
ROS

>  <CAS> (58)
113558-15-9

>  <URL> (58)
http://www.selleckchem.com/products/baohuoside-i.html

$$$$
S3769 Palmatine.cdx
csChFnd80/10112110492D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.0651    2.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0657    4.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8538    0.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4897    2.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2784    0.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2763    4.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    0.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1234    6.3100    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
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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  5 10  1  0  0  0  0
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 10 15  2  0  0  0  0
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 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (59)
1899

>  <Formula> (59)
C21H22NO4+

>  <MolWeight> (59)
352.40368

>  <Cat> (59)
S3769

>  <Name> (59)
Palmatine

>  <Synonyms> (59)
Berbericinine, Burasaine

>  <Target> (59)
AChE,BChE 

>  <Form> (59)
free base

>  <CAS> (59)
3486-67-7

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

$$$$
S3888 3,4`,5-Trimethoxy-trans-stilbene.cdx
csChFnd80/10112110492D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8487    4.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    4.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (60)
1942

>  <Formula> (60)
C17H18O3

>  <MolWeight> (60)
270.32302

>  <Cat> (60)
S3888

>  <Name> (60)
3,4',5-Trimethoxy-trans-stilbene

>  <Synonyms> (60)
MR-3

>  <Target> (60)
Others

>  <Form> (60)
free base

>  <CAS> (60)
22255-22-7

>  <URL> (60)
http://www.selleckchem.com/products/3-4-5-trimethoxy-trans-stilbene.html

$$$$
S3804 Alpha-Mangostin.cdx
csChFnd80/10112110492D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.8632    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8632    0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6502    0.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4319    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    4.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2945    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    4.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (61)
1957

>  <Formula> (61)
C24H26O6

>  <MolWeight> (61)
410.45964

>  <Cat> (61)
S3804

>  <Name> (61)
Alpha-Mangostin

>  <Synonyms> (61)
N/A

>  <Target> (61)
Others

>  <Form> (61)
free base

>  <CAS> (61)
1551491

>  <URL> (61)
http://www.selleckchem.com/products/alpha-mangostin.html

$$$$
LY2109761.cdx
csChFnd80/10112110492D

 33 38  0  0  0  0  0  0  0  0999 V2000
    4.1777    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (62)
1987

>  <Formula> (62)
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>  <MolWeight> (62)
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>  <Cat> (62)
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>  <Name> (62)
LY2109761

>  <Synonyms> (62)
N/A

>  <Target> (62)
TGF-beta/Smad

>  <Form> (62)
Free Base

>  <CAS> (62)
700874-71-1 

>  <URL> (62)
http://www.selleckchem.com/products/ly2109761.html

$$$$
Plerixafor 8HCl.cdx
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M  END
>  <Mol_ID> (63)
1989

>  <Formula> (63)
C28H62Cl8N8

>  <MolWeight> (63)
794.46948

>  <Cat> (63)
S3013

>  <Name> (63)
Plerixafor 8HCl (DB06809)

>  <Synonyms> (63)
AMD3100 

>  <Target> (63)
CXCR

>  <Form> (63)
Octahydrochloride 

>  <CAS> (63)
155148-31-5

>  <URL> (63)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

$$$$
LY364947.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (64)
1991

>  <Formula> (64)
C17H12N4

>  <MolWeight> (64)
272.30398

>  <Cat> (64)
S2805

>  <Name> (64)
LY364947

>  <Synonyms> (64)
N/A

>  <Target> (64)
TGF-beta/Smad

>  <Form> (64)
Free Base

>  <CAS> (64)
396129-53-6

>  <URL> (64)
http://www.selleckchem.com/products/ly364947.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (65)
2025

>  <Formula> (65)
C18H32ClN3O8P2

>  <MolWeight> (65)
515.862502

>  <Cat> (65)
S4157

>  <Name> (65)
Chloroquine Phosphate

>  <Synonyms> (65)
N/A

>  <Target> (65)
Others

>  <Form> (65)
Diphosphate

>  <CAS> (65)
50-63-5

>  <URL> (65)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (66)
2047

>  <Formula> (66)
C54H92O23

>  <MolWeight> (66)
1109.29448

>  <Cat> (66)
S3924

>  <Name> (66)
Ginsenoside Rb1

>  <Synonyms> (66)
Gypenoside ¢ó

>  <Target> (66)
Others

>  <Form> (66)
free base

>  <CAS> (66)
41753-43-9

>  <URL> (66)
http://www.selleckchem.com/products/ginsenoside-rb1.html

$$$$
S4785 Nicotinamide N-oxide.cdx
csChFnd80/10112110492D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (67)
2092

>  <Formula> (67)
C6H6N2O2

>  <MolWeight> (67)
138.12404

>  <Cat> (67)
S4785

>  <Name> (67)
Nicotinamide N-oxide

>  <Synonyms> (67)
Nicotinamide 1-oxide, 1-oxynicotinamide, 1-Oxy-nicotinamide

>  <Target> (67)
Others

>  <Form> (67)
free base

>  <CAS> (67)
1986-81-8

>  <URL> (67)
http://www.selleckchem.com/products/nicotinamide-n-oxide.html

$$$$
S3951 Tannic acid.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (68)
2121

>  <Formula> (68)
C76H52O46

>  <MolWeight> (68)
1701.19848

>  <Cat> (68)
S3951

>  <Name> (68)
Tannic acid

>  <Synonyms> (68)
Gallotannic acid

>  <Target> (68)
CXCR4 

>  <Form> (68)
free base

>  <CAS> (68)
1401-55-4

>  <URL> (68)
http://www.selleckchem.com/products/tannic-acid.html

$$$$
S3988 Theophylline-7-acetic acid.cdx
csChFnd80/10112110492D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6380    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6409    2.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9686    3.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9733    1.6727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7939    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985    5.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7672    5.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (69)
2136

>  <Formula> (69)
C9H10N4O4

>  <MolWeight> (69)
238.2001

>  <Cat> (69)
S3988

>  <Name> (69)
Theophylline-7-acetic acid

>  <Synonyms> (69)
Acefylline, acetyloxytheophylline, Carboxymethyltheophylline

>  <Target> (69)
adenosine receptor

>  <Form> (69)
free base

>  <CAS> (69)
652-37-9

>  <URL> (69)
http://www.selleckchem.com/products/theophylline-7-acetic.html

$$$$
S4932 Proxyphylline.cdx
csChFnd80/10112110492D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6401    3.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    3.9565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455    1.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910    1.6915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7905    2.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3608    5.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (70)
2180

>  <Formula> (70)
C10H14N4O3

>  <MolWeight> (70)
238.24316

>  <Cat> (70)
S4932

>  <Name> (70)
Proxyphylline

>  <Synonyms> (70)
Monophylline, Spasmolysin

>  <Target> (70)
Adenosine Receptor

>  <Form> (70)
free base

>  <CAS> (70)
603-00-9

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

$$$$
S3810 Scutellarin.cdx
csChFnd80/10112110492D

 33 36  0  0  0  0  0  0  0  0999 V2000
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    8.5054    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    2.0260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    2.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    6.2883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9329    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1497    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (71)
2274

>  <Formula> (71)
C21H18O12

>  <MolWeight> (71)
462.36042

>  <Cat> (71)
S3810

>  <Name> (71)
Scutellarin

>  <Synonyms> (71)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (71)
Others

>  <Form> (71)
free base

>  <CAS> (71)
27740-01-8

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

$$$$
untitled.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (72)
2275

>  <Formula> (72)
C24H25ClFN5O3

>  <MolWeight> (72)
485.9384032

>  <Cat> (72)
S1019

>  <Name> (72)
CI-1033 (Canertinib)

>  <Synonyms> (72)
PD-183805 

>  <Target> (72)
EGFR, HER2

>  <Form> (72)
Free Base

>  <CAS> (72)
267243-28-7

>  <URL> (72)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$

csChFnd80/10112110492D

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>  <Mol_ID> (73)
2311

>  <Formula> (73)
C24H22F3N5O5

>  <MolWeight> (73)
517.4571896

>  <Cat> (73)
S8015

>  <Name> (73)
CEP-32496

>  <Synonyms> (73)
N/A

>  <Target> (73)
Raf

>  <Form> (73)
Free Base

>  <CAS> (73)
1188910-76-0

>  <URL> (73)
http://www.selleckchem.com/products/cep-32496.html

$$$$
Plerixafor.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (74)
2322

>  <Formula> (74)
C28H54N8

>  <MolWeight> (74)
502.78196

>  <Cat> (74)
S8030

>  <Name> (74)
Plerixafor

>  <Synonyms> (74)
N/A

>  <Target> (74)
CXCR

>  <Form> (74)
Free Base

>  <CAS> (74)
110078-46-1

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

$$$$
Necrostatin-1.cdx
csChFnd80/10112110492D

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4311-88-0

>  <URL> (75)
http://www.selleckchem.com/products/necrostatin-1.html

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STATTIC.cdx
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STAT

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19983-44-9

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

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CSF-1R

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Free Base

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870483-87-7

>  <URL> (77)
http://www.selleckchem.com/products/gw2580.html

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Butein.cdx
csChFnd80/10112110492D

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Butein

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EGFR

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487-52-5

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https://www.selleckchem.com/products/butein.html

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Imiquimod.cdx
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P2 Receptor

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Hydrochloride

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53885-35-1

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

$$$$
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M  END
>  <Mol_ID> (81)
2465

>  <Formula> (81)
C18H22N2O

>  <MolWeight> (81)
282.38008

>  <Cat> (81)
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>  <Name> (81)
NLG919

>  <Synonyms> (81)
N/A

>  <Target> (81)
IDO

>  <Form> (81)
Free Base

>  <CAS> (81)
1402836-58-1

>  <URL> (81)
http://www.selleckchem.com/products/nlg919.html

$$$$
Epacadostat (INCB024360).cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (82)
2501

>  <Formula> (82)
C11H13BrFN7O4S

>  <MolWeight> (82)
438.2328232

>  <Cat> (82)
S7910

>  <Name> (82)
Epacadostat (INCB024360)

>  <Synonyms> (82)
N/A

>  <Target> (82)
IDO

>  <Form> (82)
Free Base

>  <CAS> (82)
1204669-58-8

>  <URL> (82)
http://www.selleckchem.com/products/epacadostat-incb024360.html

$$$$
FLLL32.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (83)
2509

>  <Formula> (83)
C28H32O6

>  <MolWeight> (83)
464.55008

>  <Cat> (83)
S7259

>  <Name> (83)
FLLL32

>  <Synonyms> (83)
N/A

>  <Target> (83)
JAK

>  <Form> (83)
Free Base

>  <CAS> (83)
1226895-15-3

>  <URL> (83)
http://www.selleckchem.com/products/flll32.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (84)
2516

>  <Formula> (84)
C11H10N2O2S

>  <MolWeight> (84)
234.2743

>  <Cat> (84)
S7914

>  <Name> (84)
Isoxazole 9 (ISX-9)

>  <Synonyms> (84)
N/A

>  <Target> (84)
Others

>  <Form> (84)
Free Base

>  <CAS> (84)
832115-62-5

>  <URL> (84)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
PD-L1 inhibitor 2.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (85)
2522

>  <Formula> (85)
C25H29N3O3

>  <MolWeight> (85)
419.51606

>  <Cat> (85)
S7912

>  <Name> (85)
BMS202 (PD-1/PD-L1 inhibitor 2)

>  <Synonyms> (85)
N/A

>  <Target> (85)
PD-1/PD-L1

>  <Form> (85)
Free Base

>  <CAS> (85)
1675203-84-5

>  <URL> (85)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-2.html

$$$$
T0901317.cdx
csChFnd80/10112110492D

 31 32  0  0  0  0  0  0  0  0999 V2000
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895158-95-9

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TGF-beta/Smad

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Free Base

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446859-33-2

>  <URL> (88)
http://www.selleckchem.com/products/repsox.html

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Dorsomorphin (Compound C) 2HCl

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AMPK

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Dihydrochloride

>  <CAS> (89)
1219168-18-9

>  <URL> (89)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

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2677

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C28H29F2N3O

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pimozide

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N/A

>  <Target> (90)
Others

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Free Base

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2062-78-4

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

$$$$
LM-3151 K 02288.cdx
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>  <Mol_ID> (91)
2733

>  <Formula> (91)
C20H20N2O4

>  <MolWeight> (91)
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>  <Cat> (91)
S7359

>  <Name> (91)
K02288

>  <Synonyms> (91)
N/A

>  <Target> (91)
TGF-beta/Smad

>  <Form> (91)
Free Base

>  <CAS> (91)
1431985-92-0

>  <URL> (91)
http://www.selleckchem.com/products/k02288.html

$$$$
LDN193189 HCl.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (92)
2754

>  <Formula> (92)
C25H23ClN6

>  <MolWeight> (92)
442.94332

>  <Cat> (92)
S7507

>  <Name> (92)
LDN193189 HCl

>  <Synonyms> (92)
N/A

>  <Target> (92)
TGF-beta/Smad

>  <Form> (92)
Hydrochloride

>  <CAS> (92)
1062368-62-0

>  <URL> (92)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
ML347.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (93)
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>  <Formula> (93)
C22H16N4O

>  <MolWeight> (93)
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>  <Cat> (93)
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>  <Name> (93)
ML347

>  <Synonyms> (93)
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>  <Target> (93)
TGF-beta/Smad

>  <Form> (93)
Free Base

>  <CAS> (93)
1062368-49-3

>  <URL> (93)
http://www.selleckchem.com/products/ml347.html

$$$$
DMH1.cdx
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M  END
>  <Mol_ID> (98)
2870

>  <Formula> (98)
C9H7ClFN5O2

>  <MolWeight> (98)
271.6355832

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S7587

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INCB024360 analogue

>  <Synonyms> (98)
N/A

>  <Target> (98)
IDO

>  <Form> (98)
Free Base

>  <CAS> (98)
914471-09-3

>  <URL> (98)
http://www.selleckchem.com/products/incb024360.html

$$$$
EW-7197.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (99)
2896

>  <Formula> (99)
C22H18FN7

>  <MolWeight> (99)
399.4236232

>  <Cat> (99)
S7530

>  <Name> (99)
EW-7197

>  <Synonyms> (99)
N/A

>  <Target> (99)
TGF-beta/Smad

>  <Form> (99)
Free Base

>  <CAS> (99)
1352608-82-2

>  <URL> (99)
http://www.selleckchem.com/products/ew-7197.html

$$$$
Kartogenin.cdx
csChFnd80/10112110492D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (100)
2897

>  <Formula> (100)
C20H15NO3

>  <MolWeight> (100)
317.338

>  <Cat> (100)
S7658

>  <Name> (100)
Kartogenin

>  <Synonyms> (100)
N/A

>  <Target> (100)
TGF-beta/Smad

>  <Form> (100)
Free Base

>  <CAS> (100)
4727-31-5

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

$$$$
Hydroxychloroquine sulfate.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (101)
2914

>  <Formula> (101)
C18H28ClN3O5S

>  <MolWeight> (101)
433.95002

>  <Cat> (101)
S4430

>  <Name> (101)
Hydroxychloroquine Sulfate

>  <Synonyms> (101)
N/A

>  <Target> (101)
Autophagy

>  <Form> (101)
Sulfate

>  <CAS> (101)
747-36-4

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

$$$$
SB225002.cdx
csChFnd80/10112110492D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (102)
2915

>  <Formula> (102)
C13H10BrN3O4

>  <MolWeight> (102)
352.1402

>  <Cat> (102)
S7651

>  <Name> (102)
SB225002

>  <Synonyms> (102)
N/A

>  <Target> (102)
CXCR

>  <Form> (102)
Free Base

>  <CAS> (102)
182498-32-4

>  <URL> (102)
http://www.selleckchem.com/products/sb225002.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/10112110492D

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EGFR

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1092364-38-9

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http://www.selleckchem.com/products/poziotinib-hm781-36b.html

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627536-09-8

>  <URL> (104)
http://www.selleckchem.com/products/sd-208.html

$$$$
Indoximod.cdx
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Indoximod (NLG-8189)

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1-Methyl-D-tryptophan

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IDO

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Free Base

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110117-83-4

>  <URL> (105)
http://www.selleckchem.com/products/indoximod-nlg-8189.html

$$$$
BLZ945.cdx
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>  <URL> (106)
http://www.selleckchem.com/products/blz945.html

$$$$
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M  END
>  <Mol_ID> (107)
3005

>  <Formula> (107)
C32H33ClFN5O11

>  <MolWeight> (107)
718.0827232

>  <Cat> (107)
S7810

>  <Name> (107)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (107)
N/A

>  <Target> (107)
EGFR

>  <Form> (107)
Dimaleate

>  <CAS> (107)
850140-73-7

>  <URL> (107)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
LDN-214117.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (108)
3011

>  <Formula> (108)
C25H29N3O3

>  <MolWeight> (108)
419.51606

>  <Cat> (108)
S7627

>  <Name> (108)
LDN-214117

>  <Synonyms> (108)
N/A

>  <Target> (108)
TGF-beta/Smad

>  <Form> (108)
Free Base

>  <CAS> (108)
1627503-67-6

>  <URL> (108)
http://www.selleckchem.com/products/ldn-214117.html

$$$$
PLX3397.cdx
csChFnd80/10112110492D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (109)
3035

>  <Formula> (109)
C20H15ClF3N5

>  <MolWeight> (109)
417.8148096

>  <Cat> (109)
S7818

>  <Name> (109)
Pexidartinib (PLX3397)

>  <Synonyms> (109)
N/A

>  <Target> (109)
CSF-1R

>  <Form> (109)
Free Base

>  <CAS> (109)
1029044-16-3

>  <URL> (109)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

$$$$
Dorsomorphin.cdx
csChFnd80/10112110492D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (110)
3040

>  <Formula> (110)
C24H25N5O

>  <MolWeight> (110)
399.4882

>  <Cat> (110)
S7840

>  <Name> (110)
Dorsomorphin (Compound C)

>  <Synonyms> (110)
Compound C, BML-275

>  <Target> (110)
AMPK

>  <Form> (110)
Free Base

>  <CAS> (110)
866405-64-3

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

$$$$
BBI608(Napabucasin.cdx
csChFnd80/10112110492D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (111)
3048

>  <Formula> (111)
C14H8O4

>  <MolWeight> (111)
240.21092

>  <Cat> (111)
S7977

>  <Name> (111)
Napabucasin

>  <Synonyms> (111)
N/A

>  <Target> (111)
STAT

>  <Form> (111)
Free Base

>  <CAS> (111)
83280-65-3

>  <URL> (111)
http://www.selleckchem.com/products/napabucasin-bbi608.html

$$$$
VTX-2337.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (112)
3069

>  <Formula> (112)
C28H34N4O2

>  <MolWeight> (112)
458.59516

>  <Cat> (112)
S7161

>  <Name> (112)
Motolimod (VTX-2337)

>  <Synonyms> (112)
N/A

>  <Target> (112)
TLR

>  <Form> (112)
Free Base

>  <CAS> (112)
926927-61-9

>  <URL> (112)
http://www.selleckchem.com/products/motolimod-vtx-2337.html

$$$$
Resiquimod.cdx
csChFnd80/10112110492D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 14  8  1  0  0  0  0
 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (113)
3082

>  <Formula> (113)
C17H22N4O2

>  <MolWeight> (113)
314.38218

>  <Cat> (113)
S8133

>  <Name> (113)
Resiquimod

>  <Synonyms> (113)
R-848

>  <Target> (113)
TLR

>  <Form> (113)
Free Base

>  <CAS> (113)
144875-48-9

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

$$$$
SCH58261.cdx
csChFnd80/10112110492D

 26 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 12  6  2  0  0  0  0
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M  END
>  <Mol_ID> (114)
3105

>  <Formula> (114)
C18H15N7O

>  <MolWeight> (114)
345.358

>  <Cat> (114)
S8104

>  <Name> (114)
SCH58261

>  <Synonyms> (114)
N/A

>  <Target> (114)
Adenosine Receptor

>  <Form> (114)
Free Base

>  <CAS> (114)
160098-96-4

>  <URL> (114)
http://www.selleckchem.com/products/sch58261.html

$$$$
STA-21.cdx
csChFnd80/10112110492D

 23 26  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> (115)
3107

>  <Formula> (115)
C19H14O4

>  <MolWeight> (115)
306.31206

>  <Cat> (115)
S7951

>  <Name> (115)
STA-21

>  <Synonyms> (115)
N/A

>  <Target> (115)
STAT

>  <Form> (115)
Free Base

>  <CAS> (115)
111540-00-2

>  <URL> (115)
http://www.selleckchem.com/products/sta-21.html

$$$$
BEC Hydrochloride.cdx
csChFnd80/10112110492D

 13 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (116)
3114

>  <Formula> (116)
C5H13BClNO4S

>  <MolWeight> (116)
229.49002

>  <Cat> (116)
S7929

>  <Name> (116)
BEC Hydrochloride

>  <Synonyms> (116)
N/A

>  <Target> (116)
Others

>  <Form> (116)
hydrochloride salt

>  <CAS> (116)
222638-67-7

>  <URL> (116)
http://www.selleckchem.com/products/bec-hydrochloride.html

$$$$
PD-1PD-L1 inhibitor 1.cdx
csChFnd80/10112110492D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (117)
3116

>  <Formula> (117)
C29H33NO5

>  <MolWeight> (117)
475.57602

>  <Cat> (117)
S7911

>  <Name> (117)
PD-1/PD-L1 inhibitor 1

>  <Synonyms> (117)
N/A

>  <Target> (117)
PD-1/PD-L1

>  <Form> (117)
Free Base

>  <CAS> (117)
1675201-83-8

>  <URL> (117)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-1.html

$$$$
ZM241385.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (118)
3184

>  <Formula> (118)
C16H15N7O2

>  <MolWeight> (118)
337.336

>  <Cat> (118)
S8105

>  <Name> (118)
ZM241385

>  <Synonyms> (118)
N/A
N/A

>  <Target> (118)
Adenosine Receptor

>  <Form> (118)
Free Base

>  <CAS> (118)
139180-30-6

>  <URL> (118)
http://www.selleckchem.com/products/zm241385.html

$$$$
SIS3.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (119)
3236

>  <Formula> (119)
C28H28ClN3O3

>  <MolWeight> (119)
489.99322

>  <Cat> (119)
S7959

>  <Name> (119)
SIS3 HCl

>  <Synonyms> (119)
N/A

>  <Target> (119)
TGF-beta/Smad

>  <Form> (119)
hydrochloride

>  <CAS> (119)
521984-48-5

>  <URL> (119)
http://www.selleckchem.com/products/sis3.html

$$$$
ATI-2341.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (120)
3244

>  <Formula> (120)
C104H178N26O25S2

>  <MolWeight> (120)
2256.81532

>  <Cat> (120)
S8309

>  <Name> (120)
ATI-2341

>  <Synonyms> (120)
N/A

>  <Target> (120)
CXCR

>  <Form> (120)
Free Base

>  <CAS> (120)
1337878-62-2

>  <URL> (120)
http://www.selleckchem.com/products/ati-2341.html

$$$$
GS-9620.cdx
csChFnd80/10112110492D

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Free Base

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1228585-88-3

>  <URL> (121)
http://www.selleckchem.com/products/gs-9620.html

$$$$
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csChFnd80/10112110492D

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3259

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C21H30Cl2N2O3

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ZK756326 2HCl

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N/A

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CXCR

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Dihydrochloride

>  <CAS> (122)
874911-96-3

>  <URL> (122)
http://www.selleckchem.com/products/zk756326.html

$$$$
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csChFnd80/10112110492D

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C15H20O2

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helenin, helenine, Eupatal

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Free Base

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546-43-0

>  <URL> (123)
http://www.selleckchem.com/products/alantolactone.html

$$$$
NT157.cdx
csChFnd80/10112110492D

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3288

>  <Formula> (124)
C16H14BrNO5S

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NT157

>  <Synonyms> (124)
N/A

>  <Target> (124)
IGF-1R

>  <Form> (124)
Free Base

>  <CAS> (124)
1384426-12-3

>  <URL> (124)
http://www.selleckchem.com/products/nt157.html

$$$$
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csChFnd80/10112110492D

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>  <Mol_ID> (125)
3296

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C26H24N8O2

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>  <Name> (125)
ARRY-380 (ONT-380)

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Tucatinib

>  <Target> (125)
HER2

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>  <CAS> (125)
937263-43-9

>  <URL> (125)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
LM10.cdx
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>  <Mol_ID> (130)
3350

>  <Formula> (130)
C29H28F5N3O5S

>  <MolWeight> (130)
625.606736

>  <Cat> (130)
S7923

>  <Name> (130)
SH5-07 (SH-5-07)

>  <Synonyms> (130)
N/A

>  <Target> (130)
STAT

>  <Form> (130)
Free Base

>  <CAS> (130)
1456632-41-9

>  <URL> (130)
http://www.selleckchem.com/products/sh5-07.html

$$$$
AMD3465.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (131)
3352

>  <Formula> (131)
C24H44Br6N6

>  <MolWeight> (131)
896.07036

>  <Cat> (131)
S2879

>  <Name> (131)
AMD3465 hexahydrobromide

>  <Synonyms> (131)
N/A

>  <Target> (131)
CXCR

>  <Form> (131)
HBr

>  <CAS> (131)
185991-07-5, 185991-24-6 (free base)

>  <URL> (131)
http://www.selleckchem.com/products/amd3465.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (132)
3367

>  <Formula> (132)
C15H18O2

>  <MolWeight> (132)
230.30222

>  <Cat> (132)
S8291

>  <Name> (132)
Atractylenolide I

>  <Synonyms> (132)
N/A

>  <Target> (132)
Immunology & Inflammation related

>  <Form> (132)
Free Base

>  <CAS> (132)
73069-13-3
73069-13-3

>  <URL> (132)
http://www.selleckchem.com/products/atractylenolide-i.html

$$$$
DAPTA.cdx
csChFnd80/10112110492D

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 44 61  1  6  0  0  0
 37 62  1  1  0  0  0
 28 63  1  6  0  0  0
 13 64  1  1  0  0  0
M  END
>  <Mol_ID> (133)
3399

>  <Formula> (133)
C35H56N10O15

>  <MolWeight> (133)
856.87714

>  <Cat> (133)
S8501

>  <Name> (133)
DAPTA

>  <Synonyms> (133)
D-Ala-peptide T-amide, peptide T

>  <Target> (133)
gp120 Bal-CCR5,CM235-CCR5

>  <Form> (133)
free base

>  <CAS> (133)
106362-34-9

>  <URL> (133)
http://www.selleckchem.com/products/dapta.html

$$$$
AUNP-12.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (134)
3412

>  <Formula> (134)
C142H226N40O48

>  <MolWeight> (134)
3261.55304

>  <Cat> (134)
S8549

>  <Name> (134)
AUNP-12

>  <Synonyms> (134)
Aur-012, Aurigene-012, Aurigene NP-12

>  <Target> (134)
PD-1

>  <CAS> (134)
1353563-85-5

>  <URL> (134)
http://www.selleckchem.com/products/aunp-12.html

$$$$
HJC0152.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (135)
3444

>  <Formula> (135)
C15H14Cl3N3O4

>  <MolWeight> (135)
406.64836

>  <Cat> (135)
S8561

>  <Name> (135)
HJC0152

>  <Synonyms> (135)
N/A

>  <Target> (135)
STAT3

>  <Form> (135)
hydrochloride

>  <CAS> (135)
1420290-99-8

>  <URL> (135)
http://www.selleckchem.com/products/hjc0152.html

$$$$
PRN1371.cdx
csChFnd80/10112110492D

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1802929-43-6

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http://www.selleckchem.com/products/prn1371.html

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>  <Synonyms> (137)
N/A

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free base

>  <CAS> (137)
443103-97-7

>  <URL> (137)
http://www.selleckchem.com/products/a2ar-antagonist-1.html

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free base

>  <CAS> (138)
266359-83-5

>  <URL> (138)
http://www.selleckchem.com/products/reparixin-repertaxin.html

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>  <URL> (139)
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    2.4249    1.4000    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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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  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
  9 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 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
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 12 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
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 29 12  1  0  0  0  0
 28 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 29  1  0  0  0  0
 25 34  1  0  0  0  0
M  END
>  <Mol_ID> (141)
3501

>  <Formula> (141)
C27H21NO5S

>  <MolWeight> (141)
471.52434

>  <Cat> (141)
S8605

>  <Name> (141)
C188-9

>  <Synonyms> (141)
N/A

>  <Target> (141)
STAT3

>  <Form> (141)
free base

>  <CAS> (141)
432001-19-9

>  <URL> (141)
http://www.selleckchem.com/products/c188-9.html

$$$$
IDO inhibitor 1.cdx
csChFnd80/10112110492D

 37 40  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    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
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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
    0.0798    3.3771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.0456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.0456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    3.3771    0.0000 N   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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    6.0622    0.0000    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
    8.4870    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   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
   10.9119    5.6000    0.0000 C   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
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    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
    9.6995    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
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  8 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  8  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 18 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
 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
 31 34  1  0  0  0  0
 20 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (142)
3531

>  <Formula> (142)
C29H35N7O

>  <MolWeight> (142)
497.6345

>  <Cat> (142)
S8557

>  <Name> (142)
IDO inhibitor 1

>  <Synonyms> (142)
N/A

>  <Target> (142)
IDO

>  <Form> (142)
free base

>  <CAS> (142)
1668565-74-9

>  <URL> (142)
http://www.selleckchem.com/products/mucic-acid.html

$$$$
GO-203.cdx
csChFnd80/10112110492D

167165  0  0  0  0  0  0  0  0999 V2000
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   28.1390   14.3363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   26.9266   11.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7142   12.6273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7142   14.0273    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.5018   14.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2859   14.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.2859   12.6273    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.0735   11.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8611   12.6273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8611   14.0273    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.6487   14.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4363   14.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4363   12.6273    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.3399   11.0813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.5962    9.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.5962    7.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6487   16.1255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0735   14.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0735   16.4346    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.0735   10.5255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5123   11.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5123    9.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0395   18.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8271   20.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8271   21.8680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6147   19.7697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.9266   10.5255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.3514   11.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5638   12.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7762   11.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9886   12.6273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.2115   11.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2115   10.5462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.4239   12.6479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.3514   16.4346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5501   17.1573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7727   17.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9851   17.1328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7727   19.2346    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.9851   19.9328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1975   19.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (143)
3569

>  <Formula> (143)
C89H171F3N52O21S2

>  <MolWeight> (143)
2426.7710496

>  <Cat> (143)
S8674

>  <Name> (143)
GO-203

>  <Synonyms> (143)
N/A

>  <Target> (143)
MUC-1C

>  <Form> (143)
trifluoroacetate

>  <CAS> (143)
1222186-26-6

>  <URL> (143)
http://www.selleckchem.com/products/go-203.html

$$$$
S5249 Coptisine chloride.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (144)
3633

>  <Formula> (144)
C19H14ClNO4

>  <MolWeight> (144)
355.77176

>  <Cat> (144)
S5249

>  <Name> (144)
Coptisine chloride

>  <Synonyms> (144)
Q-100696, NSC-119754

>  <Target> (144)
Others

>  <Form> (144)
chloride 

>  <CAS> (144)
6020-18-4

>  <URL> (144)
http://selleckchem.com/products/coptisine-chloride.html

$$$$
AS1517499.cdx
csChFnd80/10112110492D

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 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 20  1  0  0  0  0
M  END
>  <Mol_ID> (145)
3659

>  <Formula> (145)
C20H20ClN5O2

>  <MolWeight> (145)
397.8581

>  <Cat> (145)
S8685

>  <Name> (145)
AS1517499

>  <Synonyms> (145)
N/A

>  <Target> (145)
STAT

>  <Form> (145)
free base

>  <CAS> (145)
919486-40-1

>  <URL> (145)
http://selleckchem.com/products/as1517499.html

$$$$
Cu-CPT22.cdx
csChFnd80/10112110492D

 26 27  0  0  0  0  0  0  0  0999 V2000
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   10.8593    0.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5113    0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  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 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  2  1  0  0  0  0
  7 12  2  0  0  0  0
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 10 14  1  0  0  0  0
  6 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
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 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (146)
3687

>  <Formula> (146)
C19H22O7

>  <MolWeight> (146)
362.37378

>  <Cat> (146)
S8677

>  <Name> (146)
Cu-CPT22

>  <Synonyms> (146)
N/A

>  <Target> (146)
TLR

>  <Form> (146)
free base

>  <CAS> (146)
1416324-85-0

>  <URL> (146)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/10112110492D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
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 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (147)
3714

>  <Formula> (147)
C10H16N5O8P

>  <MolWeight> (147)
365.236501

>  <Cat> (147)
S5284

>  <Name> (147)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (147)
5'-Adenylic acid, 5'-AMP

>  <Target> (147)
AMPK

>  <Form> (147)
hydrate 

>  <CAS> (147)
18422-05-4

>  <URL> (147)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
DCC-2618.cdx
csChFnd80/10112110492D

 36 40  0  0  0  0  0  0  0  0999 V2000
    4.8205    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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 29 24  1  0  0  0  0
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 31 19  1  0  0  0  0
  7 32  2  0  0  0  0
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 33 34  1  0  0  0  0
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 35  7  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (148)
3796

>  <Formula> (148)
C26H21F2N5O3

>  <MolWeight> (148)
489.4734464

>  <Cat> (148)
S8721

>  <Name> (148)
DCC-2618

>  <Synonyms> (148)
N/A

>  <Target> (148)
c-Kit

>  <CAS> (148)
 1225278-16-9

>  <URL> (148)
http://selleckchem.com/products/dcc-2618.html

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/10112110492D

 60 67  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (149)
3888

>  <Formula> (149)
C42H68O13

>  <MolWeight> (149)
780.98152

>  <Cat> (149)
S5454

>  <Name> (149)
Saikosaponin D

>  <Synonyms> (149)
N/A

>  <Target> (149)
ATPase

>  <Form> (149)
free base

>  <CAS> (149)
20874-52-6

>  <URL> (149)
http://selleckchem.com/products/saikosaponin-d.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (150)
3938

>  <Formula> (150)
C49H76O20

>  <MolWeight> (150)
985.11574

>  <Cat> (150)
S5554

>  <Name> (150)
Lanatoside C

>  <Synonyms> (150)
N/A

>  <Target> (150)
ATPase

>  <Form> (150)
free base

>  <CAS> (150)
17575-22-3

>  <URL> (150)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (151)
3979

>  <Formula> (151)
C20H18O6

>  <MolWeight> (151)
354.35332

>  <Cat> (151)
S3934

>  <Name> (151)
Acetyl Resveratrol

>  <Synonyms> (151)
N/A

>  <Target> (151)
Sirt12

>  <Form> (151)
free base

>  <CAS> (151)
42206-94-0

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

$$$$
S5358 Regadenoson.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (152)
4001

>  <Formula> (152)
C15H18N8O5

>  <MolWeight> (152)
390.35402

>  <Cat> (152)
S5358

>  <Name> (152)
Regadenoson

>  <Synonyms> (152)
CVT-3146, Lexiscan

>  <Target> (152)
Adenosine Receptor

>  <Form> (152)
free base

>  <CAS> (152)
313348-27-5  

>  <URL> (152)
http://selleckchem.com/products/regadenoson.html

$$$$
BMS-986205.cdx
csChFnd80/10112110492D

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M  END
>  <Mol_ID> (153)
4014

>  <Formula> (153)
C24H24ClFN2O

>  <MolWeight> (153)
410.9115632

>  <Cat> (153)
S8629

>  <Synonyms> (153)
N/A

>  <Target> (153)
IDO1

>  <Form> (153)
free base

>  <CAS> (153)
1923833-60-6

>  <URL> (153)
http://selleckchem.com/products/.html

$$$$

csChFnd80/10112110492D

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M  END
>  <Mol_ID> (154)
4218

>  <Formula> (154)
C14H11ClN4S2

>  <MolWeight> (154)
334.84694

>  <Cat> (154)
S8700

>  <Name> (154)
TP0427736 HCl

>  <Synonyms> (154)
N/A

>  <Target> (154)
ALK

>  <Form> (154)
hydrochloride

>  <CAS> (154)
864374-00-5

>  <URL> (154)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/10112110492D

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>  <Mol_ID> (155)
4246

>  <Formula> (155)
C29H39NO9

>  <MolWeight> (155)
545.62126

>  <Cat> (155)
S9015

>  <Name> (155)
Homoharringtonine

>  <CAS> (155)
26833-87-4

$$$$
S9100 Fraxinellone.cdx
csChFnd80/10112110492D

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$$$$
S9234 Schaftoside.cdx
csChFnd80/10112110492D

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$$$$
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csChFnd80/10112110492D

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>  <Cat> (159)
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>  <Name> (159)
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>  <CAS> (159)
486-21-5

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
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M  END
>  <Mol_ID> (160)
4627

>  <Formula> (160)
C43H44ClFN4O11S3

>  <MolWeight> (160)
943.4760632

>  <Cat> (160)
S5241

>  <Name> (160)
Lapatinib ditosylate monohydrate

>  <Synonyms> (160)
Tykerb Ditosylate

>  <Target> (160)
Others

>  <Form> (160)
ditosylate monohydrate

>  <CAS> (160)
388082-78-8

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

$$$$

csChFnd80/10112110492D

 29 30  0  0  0  0  0  0  0  0999 V2000
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  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
  5 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 14 17  1  0  0  0  0
  9 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
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 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 29  1  0  0  0  0
M  END
>  <Mol_ID> (161)
4773

>  <Formula> (161)
C17H10F9NO2

>  <MolWeight> (161)
431.2524288

>  <Cat> (161)
S5775

>  <Name> (161)
SR1078

>  <Synonyms> (161)
N/A

>  <Target> (161)
Others

>  <Form> (161)
Free Base

>  <CAS> (161)
1246525-60-9

>  <URL> (161)
http://www.selleckchem.com/products/sr1078.html

$$$$

csChFnd80/10112110492D

 32 36  0  0  0  0  0  0  0  0999 V2000
    2.4534    4.3547    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
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M  END
>  <Mol_ID> (162)
4818

>  <Formula> (162)
C24H29N5O3

>  <MolWeight> (162)
435.51876

>  <Cat> (162)
S8772

>  <Name> (162)
LY 3200882 

>  <Synonyms> (162)
N/A

>  <Target> (162)
TGF-beta/Smad

>  <Form> (162)
Free Base

>  <CAS> (162)
1898283-02-7

>  <URL> (162)
http://www.selleckchem.com/products/ly3200882.html

$$$$

csChFnd80/10112110492D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 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
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 12 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (163)
4827

>  <Formula> (163)
C17H13ClN2O3

>  <MolWeight> (163)
328.74972

>  <Cat> (163)
S8813

>  <Name> (163)
LIT-927

>  <Synonyms> (163)
N/A

>  <Target> (163)
CXCR

>  <Form> (163)
Free Base

>  <CAS> (163)
2172879-52-4

>  <URL> (163)
http://www.selleckchem.com/products/lit-927.html

$$$$

csChFnd80/10112110492D

  8  7  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.4000    0.0000 C   0  0  3  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
    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 N   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
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    4.8497    3.5000    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
  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
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M  END
>  <Mol_ID> (164)
5176

>  <Formula> (164)
C5H11NO2

>  <MolWeight> (164)
117.14634

>  <Cat> (164)
S6334

>  <Name> (164)
DL-Norvaline

>  <Synonyms> (164)
2-Aminopentanoic acid, H-DL-Nva-OH, 2-Aminovaleric acid, ¦Á-Aminopentanoic acid

>  <Target> (164)
Others

>  <Form> (164)
free base

>  <CAS> (164)
760-78-1

>  <URL> (164)
http://www.selleck.cn/products/dl-norvaline.html

$$$$

csChFnd80/10112110492D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
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 11 12  1  0  0  0  0
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 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
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 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (165)
5204

>  <Formula> (165)
C13H8Cl2N2O4

>  <MolWeight> (165)
327.11962

>  <Cat> (165)
S3030

>  <Name> (165)
Niclosamide

>  <Synonyms> (165)
Niclocide

>  <Target> (165)
STAT

>  <Form> (165)
Free Base

>  <CAS> (165)
50-65-7

>  <URL> (165)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

csChFnd80/10112110492D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (166)
6626

>  <Formula> (166)
C11H9Cl2N3O3S

>  <MolWeight> (166)
334.17846

>  <Cat> (166)
S6555

>  <Name> (166)
AZD2098

>  <Synonyms> (166)
N/A

>  <Target> (166)
CCR

>  <Form> (166)
free base

>  <CAS> (166)
566203-88-1

>  <URL> (166)
http://www.selleck.cn/products/azd2098.html

$$$$

csChFnd80/10112110492D

 26 27  0  0  0  0  0  0  0  0999 V2000
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  1 22  1  0  0  0  0
  2  9  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 10 12  2  0  0  0  0
 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (167)
6635

>  <Formula> (167)
C20H22O6

>  <MolWeight> (167)
358.38508

>  <Cat> (167)
S6573

>  <Name> (167)
MD2-IN-1

>  <Synonyms> (167)
N/A

>  <Target> (167)
Others

>  <Form> (167)
free base

>  <CAS> (167)
111797-22-9

>  <URL> (167)
http://www.selleck.cn/products/md2-in-1.html

$$$$

csChFnd80/10112110492D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (168)
6637

>  <Formula> (168)
C11H7IN2O4

>  <MolWeight> (168)
358.08875

>  <Cat> (168)
S6575

>  <Name> (168)
C-176 STING inhibitor

>  <Synonyms> (168)
N/A

>  <Target> (168)
Others

>  <Form> (168)
free base

>  <CAS> (168)
314054-00-7

>  <URL> (168)
http://www.selleck.cn/products/c-176-sting-inhibitor.html

$$$$

csChFnd80/10112110492D

 32 34  0  0  0  0  0  0  0  0999 V2000
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6650

>  <Formula> (169)
C25H35NO5S

>  <MolWeight> (169)
461.6141

>  <Cat> (169)
S6610

>  <Name> (169)
GSK2981278

>  <Synonyms> (169)
N/A

>  <Target> (169)
Others

>  <Form> (169)
free base

>  <CAS> (169)
1474110-21-8

>  <URL> (169)
http://www.selleck.cn/products/gsk2981278.html

$$$$

csChFnd80/10112110492D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (170)
6708

>  <Formula> (170)
C16H16N6

>  <MolWeight> (170)
292.33844

>  <Cat> (170)
S6617

>  <Name> (170)
MSX-122

>  <Synonyms> (170)
N/A

>  <Target> (170)
CXCR

>  <Form> (170)
Free Base

>  <CAS> (170)
897657-95-3

>  <URL> (170)
http://www.selleck.cn/products/msx-122.html

$$$$

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 29 31  0  0  0  0  0  0  0  0999 V2000
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473727-83-2

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http://www.selleck.cn/products/sch-527123.html

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6798

>  <Formula> (179)
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522.50698

>  <Cat> (179)
S6719

>  <Name> (179)
E6446 (dihydrochloride)

>  <Synonyms> (179)
N/A

>  <Target> (179)
TLR

>  <Form> (179)
Dihydrochloride

>  <CAS> (179)
1345675-25-3

>  <URL> (179)
http://www.selleck.cn/products/e6446.html

$$$$

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6807

>  <Formula> (180)
C31H34N4O2

>  <MolWeight> (180)
494.62726

>  <Cat> (180)
S2234

>  <Name> (180)
BIBF-0775

>  <Synonyms> (180)
N/A

>  <Target> (180)
TGF-beta/Smad

>  <Form> (180)
Free Base

>  <CAS> (180)
334951-90-5

>  <URL> (180)
http://www.selleck.cn/products/bibf-0775.html

$$$$

csChFnd80/10112110492D

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M  END
>  <Mol_ID> (181)
6818

>  <Formula> (181)
C17H17N3O

>  <MolWeight> (181)
279.33638

>  <Cat> (181)
S6652

>  <Name> (181)
H-151

>  <Synonyms> (181)
N/A

>  <Target> (181)
STING

>  <Form> (181)
Free Base

>  <CAS> (181)
941987-60-6

>  <URL> (181)
http://www.selleck.cn/products/h-151.html

$$$$

csChFnd80/10112110492D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (182)
6819

>  <Formula> (182)
C20H31N3O

>  <MolWeight> (182)
329.47964

>  <Cat> (182)
S6654

>  <Name> (182)
SRI-011381

>  <Synonyms> (182)
N/A

>  <Target> (182)
TGF-beta/Smad

>  <Form> (182)
Free Base

>  <CAS> (182)
1629138-41-5

>  <URL> (182)
http://www.selleck.cn/products/sri-011381.html

$$$$

csChFnd80/10112110492D

 24 27  0  0  0  0  0  0  0  0999 V2000
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6829

>  <Formula> (183)
C17H10N2O5

>  <MolWeight> (183)
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>  <Cat> (183)
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N/A

>  <Target> (183)
STING

>  <Form> (183)
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>  <CAS> (183)
329198-87-0

>  <URL> (183)
http://www.selleck.cn/products/c-178.html

$$$$

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 30 32  1  0  0  0  0
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M  END
>  <Mol_ID> (184)
6901

>  <Formula> (184)
C19H14BF4N3O4S

>  <MolWeight> (184)
467.2017728

>  <Cat> (184)
S8947

>  <Name> (184)
SX-682

>  <Synonyms> (184)
N/A

>  <Target> (184)
CXCR

>  <Form> (184)
Free Base

>  <CAS> (184)
1648843-04-2

>  <URL> (184)
http://www.selleckchem.com/products/sx-682.html

$$$$

csChFnd80/10112110492D

 27 30  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
  1  6  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
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 12 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 15 18  1  0  0  0  0
  7 12  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
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  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (185)
6914

>  <Formula> (185)
C20H13FN4O2

>  <MolWeight> (185)
360.3412232

>  <Cat> (185)
S5183

>  <Name> (185)
PD 169316

>  <Synonyms> (185)
N/A

>  <Target> (185)
p38 MAPK

>  <Form> (185)
Free Base

>  <CAS> (185)
152121-53-4

>  <URL> (185)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/10112110492D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 12  1  0  0  0  0
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 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
M  END
>  <Mol_ID> (186)
6928

>  <Formula> (186)
C16H11N3O3

>  <MolWeight> (186)
293.27684

>  <Cat> (186)
S6784

>  <Name> (186)
STAT5-IN-1

>  <Synonyms> (186)
N/A

>  <Target> (186)
STAT

>  <Form> (186)
Free Base

>  <CAS> (186)
285986-31-4

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

$$$$

csChFnd80/10112110492D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (187)
6941

>  <Formula> (187)
C20H13F2N3

>  <MolWeight> (187)
333.3341264

>  <Cat> (187)
S6807

>  <Name> (187)
TA-02

>  <Synonyms> (187)
N/A

>  <Target> (187)
p38 MAPK

>  <Form> (187)
Free Base

>  <CAS> (187)
1784751-19-4

>  <URL> (187)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/10112110492D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 23 25  1  0  0  0  0
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 27 28  1  0  0  0  0
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M  END
>  <Mol_ID> (188)
6960

>  <Formula> (188)
C21H16ClFN2O3S

>  <MolWeight> (188)
430.8797432

>  <Cat> (188)
S8954

>  <Name> (188)
STING agonist-1 (G10)

>  <Synonyms> (188)
N/A

>  <Target> (188)
STING

>  <Form> (188)
Free Base

>  <CAS> (188)
702662-50-8

>  <URL> (188)
http://www.selleckchem.com/products/sting-agonist-1-g10.html

$$$$

csChFnd80/10112110492D

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3002    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    7.0002    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    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
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  8  6  1  0  0  0  0
  6 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  1  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
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 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (189)
6968

>  <Formula> (189)
C18H18N2O5

>  <MolWeight> (189)
342.34592

>  <Cat> (189)
S0129

>  <Name> (189)
SB-297006

>  <Synonyms> (189)
N/A

>  <Target> (189)
CCR

>  <Form> (189)
Free Base

>  <CAS> (189)
58816-69-6

>  <URL> (189)
http://www.selleckchem.com/products/sb297006.html

$$$$

csChFnd80/10112110492D

 34 37  0  0  0  0  0  0  0  0999 V2000
    3.6374    4.9001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    3.6877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    6.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997   14.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6618   11.4737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    9.8002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873   11.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6618   13.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9121   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121   11.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8789   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748   11.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748   14.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  4 28  1  0  0  0  0
  4 32  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 17  1  0  0  0  0
  7 20  1  0  0  0  0
  8 19  1  0  0  0  0
  8 31  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  2  0  0  0  0
 10 31  2  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 27  1  0  0  0  0
 18 25  2  0  0  0  0
 19 26  2  0  0  0  0
 20 21  2  0  0  0  0
 20 30  1  0  0  0  0
 22 28  2  0  0  0  0
 25 26  1  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <Mol_ID> (190)
6991

>  <Formula> (190)
C24H28N6O3S

>  <MolWeight> (190)
480.58252

>  <Cat> (190)
S0487

>  <Name> (190)
Sulfatinib

>  <Synonyms> (190)
HMPL-012, Sufatinib, Surfatinib

>  <Target> (190)
CSF-1R

>  <Form> (190)
Free Base

>  <CAS> (190)
1308672-74-3

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

$$$$

csChFnd80/10112110492D

 18 20  0  0  0  0  0  0  0  0999 V2000
   12.2792    1.2124    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    4.5792    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1792    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  1  0  0  0  0
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 14 15  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (191)
6993

>  <Formula> (191)
C14H10BrNOS

>  <MolWeight> (191)
320.2043

>  <Cat> (191)
S0523

>  <Name> (191)
SB?4

>  <Synonyms> (191)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (191)
TGF-beta/Smad

>  <Form> (191)
Free Base

>  <CAS> (191)
100874-08-6

>  <URL> (191)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/10112110492D

 34 37  0  0  0  0  0  0  0  0999 V2000
   14.6894    9.8242    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8767    5.6365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9183    6.3392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8848    1.3443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8221    7.8624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3348    7.7344    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6333    3.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 27  1  0  0  0  0
  8 15  1  0  0  0  0
  8 27  1  0  0  0  0
  9 14  2  0  0  0  0
  9 29  1  0  0  0  0
 10 21  2  0  0  0  0
 10 31  1  0  0  0  0
 11 20  1  0  0  0  0
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 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 26  1  0  0  0  0
 14 19  1  0  0  0  0
 15 22  2  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 17 24  2  0  0  0  0
 17 28  1  0  0  0  0
 18 23  1  0  0  0  0
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 25 28  2  0  0  0  0
 26 29  2  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (192)
7023

>  <Formula> (192)
C24H24N4O5S

>  <MolWeight> (192)
480.53616

>  <Cat> (192)
S7688

>  <Name> (192)
Ki20227

>  <Synonyms> (192)
KI-20227

>  <Target> (192)
CSF-1R

>  <Form> (192)
Free Base

>  <CAS> (192)
623142-96-1

>  <URL> (192)
http://www.selleckchem.com/products/ki20227.html

$$$$

csChFnd80/10112110492D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (193)
7024

>  <Formula> (193)
C25H19N5S

>  <MolWeight> (193)
421.51686

>  <Cat> (193)
S7692

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A-83-01

>  <Synonyms> (193)
N/A

>  <Target> (193)
ALK

>  <Form> (193)
Free Base

>  <CAS> (193)
909910-43-6

>  <URL> (193)
http://www.selleckchem.com/products/a-83-01.html

$$$$

csChFnd80/10112110492D

 35 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (194)
7046

>  <Formula> (194)
C25H40N8O2

>  <MolWeight> (194)
484.6375

>  <Cat> (194)
S0085

>  <Name> (194)
BMS-813160

>  <Target> (194)
CCR

>  <Form> (194)
free base

>  <CAS> (194)
1286279-29-5

>  <URL> (194)
http://www.selleckchem.com/products/bms813160.html

$$$$

csChFnd80/10112110492D

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M  END
>  <Mol_ID> (195)
7048

>  <Formula> (195)
C16H10ClF6NO2

>  <MolWeight> (195)
397.6995192

>  <Cat> (195)
S0094

>  <Name> (195)
SR 0987

>  <Target> (195)
ROR

>  <Form> (195)
free base

>  <CAS> (195)
303126-97-8

>  <URL> (195)
http://www.selleckchem.com/products/sr0987.html

$$$$

csChFnd80/10112110492D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (196)
7102

>  <Formula> (196)
C23H40N2O3

>  <MolWeight> (196)
392.5753

>  <Cat> (196)
S0752

>  <Name> (196)
AUDA

>  <Target> (196)
Epoxide Hydrolase

>  <Form> (196)
free base

>  <CAS> (196)
479413-70-2

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

$$$$

csChFnd80/10112110492D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (197)
7104

>  <Formula> (197)
C17H17N3O

>  <MolWeight> (197)
279.33638

>  <Cat> (197)
S0777

>  <Name> (197)
APX-115 free base

>  <Target> (197)
NADPH-oxidase

>  <Form> (197)
free base

>  <CAS> (197)
1270084-92-8

>  <URL> (197)
http://www.selleckchem.com/products/apx-115-free-base.html

$$$$

csChFnd80/10112110492D

 35 37  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  1  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 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 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
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (198)
7108

>  <Formula> (198)
C28H29NO6

>  <MolWeight> (198)
475.53296

>  <Cat> (198)
S0818

>  <Name> (198)
STAT3-IN-1

>  <Target> (198)
STAT

>  <Form> (198)
free base

>  <CAS> (198)
2059952-75-7

>  <URL> (198)
http://www.selleckchem.com/products/stat3-in-1.html

$$$$

csChFnd80/10112110492D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.4282    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6988    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 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
 16 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (199)
7110

>  <Formula> (199)
C15H8F2LiN5O3

>  <MolWeight> (199)
351.1935264

>  <Cat> (199)
S0853

>  <Name> (199)
SR-717?lithium

>  <Target> (199)
STING

>  <Form> (199)
free base

>  <CAS> (199)
2375421-09-1

>  <URL> (199)
http://www.selleckchem.com/products/sr-717.html

$$$$

csChFnd80/10112110492D

 40 43  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 26 28  1  0  0  0  0
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  1 30  1  1  0  0  0
 10 31  1  1  0  0  0
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 12 33  1  1  0  0  0
 21 34  1  1  0  0  0
  2 35  1  6  0  0  0
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 21 39  1  6  0  0  0
 16 40  1  6  0  0  0
M  END
>  <Mol_ID> (200)
7114

>  <Formula> (200)
C30H48O7

>  <MolWeight> (200)
520.69792

>  <Cat> (200)
S0949

>  <Name> (200)
Cucurbitacin IIb

>  <Target> (200)
STAT

>  <Form> (200)
free base

>  <CAS> (200)
50298-90-3

>  <URL> (200)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/10112110492D

 12 12  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (201)
7124

>  <Formula> (201)
C10H14O

>  <MolWeight> (201)
150.21756

>  <Cat> (201)
S3205

>  <Name> (201)
Perillaldehyde

>  <Target> (201)
AhR

>  <Form> (201)
free base

>  <CAS> (201)
18031-40-8

>  <URL> (201)
http://www.selleckchem.com/products/perillaldehyde.html

$$$$

csChFnd80/10112110492D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
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 11  5  1  6  0  0  0
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 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (202)
7134

>  <Formula> (202)
C7H14O6

>  <MolWeight> (202)
194.18246

>  <Cat> (202)
S3223

>  <Name> (202)
L-Quebrachitol

>  <Target> (202)
TGF-beta/Smad

>  <Form> (202)
free base

>  <CAS> (202)
642-38-6

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

$$$$

csChFnd80/10112110492D

 42 46  0  0  0  0  0  0  0  0999 V2000
    2.4207    8.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    6.9903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    9.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 O   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
    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
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   11.1879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911   11.1879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6911   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786   13.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8993   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   14.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580   13.2854    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
  5  7  1  1  0  0  0
  1  8  1  1  0  0  0
  3  9  1  1  0  0  0
  6 10  1  6  0  0  0
  2 11  1  6  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  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 13 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
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
  7 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  1  0  0  0
 33 32  1  1  0  0  0
 35 40  1  6  0  0  0
 37 41  1  6  0  0  0
 38 42  1  6  0  0  0
M  END
>  <Mol_ID> (203)
7166

>  <Formula> (203)
C27H30O15

>  <MolWeight> (203)
594.5181

>  <Cat> (203)
S3267

>  <Name> (203)
Kaempferol-3-O-rutinoside

>  <Target> (203)
Apoptosis related

>  <Form> (203)
free base

>  <CAS> (203)
17650-84-9

>  <URL> (203)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/10112110492D

 19 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3119    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5223    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7328    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9432    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1536    4.8757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3660    4.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5785    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1552    6.2708    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  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
 10 12  1  1  0  0  0
 11 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  1  6  0  0  0
M  END
>  <Mol_ID> (204)
7187

>  <Formula> (204)
C17H24O2

>  <MolWeight> (204)
260.37126

>  <Cat> (204)
S3292

>  <Name> (204)
Falcarindiol

>  <Target> (204)
NOS

>  <Form> (204)
free base

>  <CAS> (204)
225110-25-8

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

$$$$

csChFnd80/10112110492D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 O   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
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 O   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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    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
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   12.1244    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 16  1  0  0  0  0
  1 21  1  0  0  0  0
  2 13  1  0  0  0  0
  3 20  1  0  0  0  0
  4 20  2  0  0  0  0
  5  7  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  2  0  0  0  0
  9 15  1  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (205)
7208

>  <Formula> (205)
C16H15NO4

>  <MolWeight> (205)
285.2946

>  <Cat> (205)
S6597

>  <Name> (205)
TLR2-IN-C29

>  <Target> (205)
TLR

>  <Form> (205)
free base

>  <CAS> (205)
363600-92-4

>  <URL> (205)
http://www.selleckchem.com/products/tlr2-in-c29.html

$$$$

csChFnd80/10112110492D

 37 42  0  0  0  0  0  0  0  0999 V2000
    5.7039    4.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7039    2.9168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    2.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1288    2.9168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1288    4.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    5.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3724    4.7494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    3.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3724    2.4842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1692    5.2536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997    6.5325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2074    6.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    3.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    4.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3315    2.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5338    4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5203    5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8679    5.5889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2303    4.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5826    3.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5725    4.8642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2102    6.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8579    6.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9201    4.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2825    3.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6348    2.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6247    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2624    5.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9101    5.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9723    3.4174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3334    2.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6810    1.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0421    0.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3897    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    0.8217    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  1  1  0  0  0  0
  1  7  2  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
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  6  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 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 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
  3 37  1  0  0  0  0
M  END
>  <Mol_ID> (206)
7244

>  <Formula> (206)
C25H29N9O3

>  <MolWeight> (206)
503.55626

>  <Cat> (206)
S6910

>  <Name> (206)
Preladenant

>  <Target> (206)
Adenosine Receptor

>  <Form> (206)
free base

>  <CAS> (206)
377727-87-2

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

$$$$

csChFnd80/10112110492D

 50 54  0  0  0  0  0  0  0  0999 V2000
    0.0000    9.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.5857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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7251

>  <Formula> (207)
C41H52N4O4S

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>  <Target> (207)
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>  <Form> (207)
free base

>  <CAS> (207)
497223-25-3

>  <URL> (207)
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$$$$

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>  <Mol_ID> (208)
7277

>  <Formula> (208)
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>  <Target> (208)
IDO/TDO

>  <Form> (208)
free base

>  <CAS> (208)
163239-22-3

>  <URL> (208)
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$$$$

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M  END
>  <Mol_ID> (209)
7294

>  <Formula> (209)
C97H144FN33O19S2

>  <MolWeight> (209)
2159.5193632

>  <Cat> (209)
S9665

>  <Name> (209)
Motixafortide (BL-8040)

>  <Target> (209)
CXCR

>  <Form> (209)
free base

>  <CAS> (209)
664334-36-5

>  <URL> (209)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/10112110492D

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M  END
>  <Mol_ID> (210)
7318

>  <Formula> (210)
C14H14ClNS

>  <MolWeight> (210)
263.78566

>  <Cat> (210)
S0721

>  <Name> (210)
Ticlopidine

>  <Synonyms> (210)
Yuclid, Ticlopidinum, Ticlopidina

>  <Target> (210)
P450 (e.g. CYP17). Adenosine Receptor

>  <Form> (210)
Free Base

>  <CAS> (210)
55142-85-3

>  <URL> (210)
https://www.selleckchem.com/products/ticlopidine.html

$$$$

csChFnd80/10112110492D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (211)
7399

>  <Formula> (211)
C16H15FN2O4

>  <MolWeight> (211)
318.2997032

>  <Cat> (211)
S0153

>  <Name> (211)
SJ000291942

>  <Synonyms> (211)
N/A

>  <Target> (211)
TGF-beta/Smad

>  <Form> (211)
Free Base

>  <CAS> (211)
425613-09-8

>  <URL> (211)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/10112110492D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 19 20  1  0  0  0  0
  8  5  2  0  0  0  0
M  END
>  <Mol_ID> (212)
7416

>  <Formula> (212)
C17H15NO2

>  <MolWeight> (212)
265.3065

>  <Cat> (212)
S0290

>  <Name> (212)
SU5204

>  <Synonyms> (212)
N/A

>  <Target> (212)
VEGFR. HER2

>  <Form> (212)
Free Base

>  <CAS> (212)
186611-11-0

>  <URL> (212)
https://www.selleckchem.com/products/su5204.html

$$$$

csChFnd80/10112110492D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (213)
7437

>  <Formula> (213)
C19H23N5O4

>  <MolWeight> (213)
385.41702

>  <Cat> (213)
S0494

>  <Name> (213)
SM 324405

>  <Synonyms> (213)
N/A

>  <Target> (213)
TLR

>  <Form> (213)
Free Base

>  <CAS> (213)
677773-91-0

>  <URL> (213)
https://www.selleckchem.com/products/sm-324405.html

$$$$

csChFnd80/10112110492D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
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 29 30  1  0  0  0  0
 23 27  1  6  0  0  0
M  END
>  <Mol_ID> (214)
7441

>  <Formula> (214)
C18H18ClIN6O4

>  <MolWeight> (214)
544.73079

>  <Cat> (214)
S0498

>  <Name> (214)
Namodenoson (CF-102)

>  <Synonyms> (214)
2-Cl-IB-MECA

>  <Target> (214)
Adenosine Receptor

>  <Form> (214)
Free Base

>  <CAS> (214)
163042-96-4

>  <URL> (214)
https://www.selleckchem.com/products/namodenoson-cf-102.html

$$$$

csChFnd80/10112110492D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (215)
7622

>  <Formula> (215)
C21H23NO3

>  <MolWeight> (215)
337.41222

>  <Cat> (215)
S6934

>  <Name> (215)
AMG-9810

>  <Synonyms> (215)
N/A

>  <Target> (215)
TRP Channel. TLR

>  <Form> (215)
Free Base

>  <CAS> (215)
545395-94-6

>  <URL> (215)
https://www.selleckchem.com/products/amg-9810.html

$$$$

csChFnd80/10112110492D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (216)
7635

>  <Formula> (216)
C23H25FN2O3

>  <MolWeight> (216)
396.4546032

>  <Cat> (216)
S8919

>  <Name> (216)
LY-3381916

>  <Synonyms> (216)
IDO1-IN-5

>  <Target> (216)
IDO/TDO

>  <Form> (216)
Free Base

>  <CAS> (216)
2166616-75-5

>  <URL> (216)
https://www.selleckchem.com/products/ly-3381916.html

$$$$

csChFnd80/10112110492D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    0.2556    3.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8236    2.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  7  2  1  6  0  0  0
 14  3  1  1  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  4 18  1  0  0  0  0
  5 18  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 10  1  6  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
  6 24  1  1  0  0  0
M  END
>  <Mol_ID> (217)
7638

>  <Formula> (217)
C18H21FN2O2

>  <MolWeight> (217)
316.3699432

>  <Cat> (217)
S8957

>  <Name> (217)
Navoximod

>  <Synonyms> (217)
GDC-0919, NLG-919

>  <Target> (217)
IDO/TDO

>  <Form> (217)
Free Base

>  <CAS> (217)
1402837-78-8

>  <URL> (217)
https://www.selleckchem.com/products/navoximod.html

$$$$

csChFnd80/10112110492D

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7646

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C119H206N32O35

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CLN

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STAT. Beta Amyloid.

>  <Form> (218)
Free Base

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867021-83-8

>  <URL> (218)
https://www.selleckchem.com/products/colivelin.html

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csChFnd80/10112110492D

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7651

>  <Formula> (219)
C14H14O5S

>  <MolWeight> (219)
294.32296

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S9681

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MSA-2

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N/A

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STING

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Free Base

>  <CAS> (219)
129425-81-6

>  <URL> (219)
https://www.selleckchem.com/products/msa-2.html

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csChFnd80/10112110492D

 20 22  0  0  0  0  0  0  0  0999 V2000
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S9730

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N/A

>  <Target> (220)
TLR

>  <Form> (220)
Free Base

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2165340-32-7

>  <URL> (220)
https://www.selleckchem.com/products/cu-cpt9a.html

$$$$

csChFnd80/10112110492D

 22 23  0  0  0  0  0  0  0  0999 V2000
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7670

>  <Formula> (221)
C18H26ClN3

>  <MolWeight> (221)
319.87214

>  <Cat> (221)
S6999

>  <Name> (221)
Chloroquine

>  <Synonyms> (221)
Aralen, CHQ, CQ

>  <Target> (221)
Autophagy

>  <Form> (221)
Free Base

>  <CAS> (221)
54-05-7

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

$$$$

csChFnd80/10112110492D

 40 44  0  0  0  0  0  0  0  0999 V2000
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    6.0453    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7280   14.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13  8  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 15 18  1  0  0  0  0
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 18 20  1  0  0  0  0
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 21 23  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
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 31 26  1  0  0  0  0
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 33 34  1  0  0  0  0
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 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
M  END
>  <Mol_ID> (222)
7698

>  <Formula> (222)
C29H29ClN6O4

>  <MolWeight> (222)
561.03136

>  <Cat> (222)
S9786

>  <Name> (222)
BDTX-189

>  <Synonyms> (222)
N/A

>  <Target> (222)
EGFR

>  <Form> (222)
Free Base

>  <CAS> (222)
2414572-47-5

>  <URL> (222)
http://www.selleckchem.com/products/bdtx-189.html

$$$$

csChFnd80/10112110492D

 36 37  0  0  0  0  0  0  0  0999 V2000
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   14.5515    1.3976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9947    6.3072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3432    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
  4 35  1  0  0  0  0
  5 17  1  0  0  0  0
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  6 20  1  0  0  0  0
  7 29  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 21  1  0  0  0  0
  9 29  1  0  0  0  0
 10 24  1  0  0  0  0
 10 27  2  0  0  0  0
 11 26  1  0  0  0  0
 11 28  1  0  0  0  0
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 13 16  1  0  0  0  0
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 20 23  1  0  0  0  0
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 22 24  1  0  0  0  0
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 28 30  2  0  0  0  0
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 29 34  1  0  0  0  0
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M  END
>  <Mol_ID> (223)
7704

>  <Formula> (223)
C24H27Cl3FN5O3

>  <MolWeight> (223)
558.8602832

>  <Cat> (223)
S0711

>  <Name> (223)
Canertinib dihydrochloride

>  <Synonyms> (223)
CI-1033 dihydrochloride, PD-183805 dihydrochloride

>  <Target> (223)
EGFR

>  <Form> (223)
Dihydrochloride

>  <CAS> (223)
289499-45-2

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

$$$$

csChFnd80/10112110492D

 44 48  0  0  0  0  0  0  0  0999 V2000
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    8.4868    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4868    8.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    9.0996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0996    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1239    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (224)
7732

>  <Formula> (224)
C32H28F3N5O4

>  <MolWeight> (224)
603.5910296

>  <Cat> (224)
S8682

>  <Name> (224)
AMG 487

>  <Synonyms> (224)
N/A

>  <Target> (224)
CXCR

>  <Form> (224)
Free Base

>  <CAS> (224)
473719-41-4

>  <URL> (224)
http://www.selleckchem.com/products/amg-487.html

$$$$

csChFnd80/10112110492D

 31 33  0  0  0  0  0  0  0  0999 V2000
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   13.6674    8.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 29  1  0  0  0  0
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 23  5  1  6  0  0  0
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 10 24  1  0  0  0  0
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 13 15  1  0  0  0  0
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 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (225)
7834

>  <Formula> (225)
C21H23Cl3FN5O

>  <MolWeight> (225)
486.7976232

>  <Cat> (225)
S5190

>  <Name> (225)
Crizotinib hydrochloride

>  <Synonyms> (225)
Xalkori, PF-02341066 hydrochloride

>  <Target> (225)
c-Met

>  <Form> (225)
Hydrochloride

>  <CAS> (225)
1415560-69-8

>  <URL> (225)
http://www.selleckchem.com/products/crizotinib-hydrochloride.html

$$$$

csChFnd80/10112110492D

 26 31  0  0  0  0  0  0  0  0999 V2000
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 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (226)
7891

>  <Formula> (226)
C21H27NO4

>  <MolWeight> (226)
357.44338

>  <Cat> (226)
S3479

>  <Name> (226)
R243

>  <Synonyms> (226)
N/A

>  <Target> (226)
CCR

>  <Form> (226)
Free Base

>  <CAS> (226)
688352-84-3

>  <URL> (226)
http://www.selleckchem.com/products/r243.html

$$$$

csChFnd80/10112110492D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (227)
7902

>  <Formula> (227)
C17H15N3O6

>  <MolWeight> (227)
357.3175

>  <Cat> (227)
S4842

>  <Name> (227)
Balsalazide

>  <Synonyms> (227)
Colazal, Giazo

>  <Target> (227)
Immunology & Inflammation related

>  <Form> (227)
Free Base

>  <CAS> (227)
80573-04-2

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

$$$$

csChFnd80/10112110492D

 19 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (228)
7913

>  <Formula> (228)
C14H13N3OS

>  <MolWeight> (228)
271.33752

>  <Cat> (228)
S0981

>  <Name> (228)
BD750

>  <Synonyms> (228)
N/A

>  <Target> (228)
JAK

>  <Form> (228)
Free Base

>  <CAS> (228)
892686-59-8

>  <URL> (228)
http://www.selleckchem.com/products/bd750.html

$$$$

csChFnd80/10112110492D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (229)
7963

>  <Formula> (229)
C15H16O3

>  <MolWeight> (229)
244.28574

>  <Cat> (229)
E0011

>  <Name> (229)
Linderalactone

>  <Synonyms> (229)
N/A

>  <Target> (229)
Bcl-2

>  <Form> (229)
Free Base

>  <CAS> (229)
728-61-0

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

$$$$

csChFnd80/10112110492D

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 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (230)
7984

>  <Formula> (230)
C16H24N2O4

>  <MolWeight> (230)
308.37276

>  <Cat> (230)
S0292

>  <Name> (230)
MSX-127

>  <Synonyms> (230)
NSC23026

>  <Target> (230)
CXCR

>  <Form> (230)
Free Base

>  <CAS> (230)
6616-56-4

>  <URL> (230)
http://www.selleckchem.com/products/msx-127.html

$$$$

csChFnd80/10112110492D

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M  END
>  <Mol_ID> (231)
7985

>  <Formula> (231)
C36H26N4

>  <MolWeight> (231)
514.61844

>  <Cat> (231)
S0293

>  <Name> (231)
MSX-130

>  <Synonyms> (231)
N/A

>  <Target> (231)
CXCR

>  <Form> (231)
Free Base

>  <CAS> (231)
4051-59-6

>  <URL> (231)
http://www.selleckchem.com/products/msx-130.html

$$$$

csChFnd80/10112110492D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (232)
8008

>  <Formula> (232)
C13H9F6NO3S2

>  <MolWeight> (232)
405.3358792

>  <Cat> (232)
S2969

>  <Name> (232)
SR3335

>  <Synonyms> (232)
ML-176

>  <Target> (232)
ROR

>  <Form> (232)
Free Base

>  <CAS> (232)
293753-05-6

>  <URL> (232)
http://www.selleckchem.com/products/sr3335.html

$$$$

csChFnd80/10112110492D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (233)
8021

>  <Formula> (233)
C14H12N4O

>  <MolWeight> (233)
252.27128

>  <Cat> (233)
S4461

>  <Name> (233)
CU-CPT-8m

>  <Synonyms> (233)
CPD1578

>  <Target> (233)
TLR

>  <Form> (233)
Free Base

>  <CAS> (233)
125079-83-6

>  <URL> (233)
http://www.selleckchem.com/products/cu-cpt-8m.html

$$$$

csChFnd80/10112110492D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (234)
8068

>  <Formula> (234)
C21H22ClF3N2O2

>  <MolWeight> (234)
426.8597896

>  <Cat> (234)
S7538

>  <Name> (234)
RS-102895 Hydrochloride

>  <Synonyms> (234)
RS-102895 HCl

>  <Target> (234)
CCR

>  <Form> (234)
Hydrochloride

>  <CAS> (234)
1173022-16-6

>  <URL> (234)
http://www.selleckchem.com/products/rs-102895-hydrochloride.html

$$$$
