untitled.cdx
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PDGFR, VEGFR

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796967-16-3

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

$$$$
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Bosutinib (SKI-606)

>  <Synonyms> (2)
N/A 

>  <Target> (2)
Src

>  <Form> (2)
Free Base

>  <CAS> (2)
380843-75-4

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

$$$$
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csChFnd80/10272009262D

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>  <Mol_ID> (3)
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Lapatinib (GW-572016) Ditosylate

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EGFR, HER2

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Ditosylat

>  <CAS> (3)
388082-77-7

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

$$$$
untitled.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (4)
22

>  <Formula> (4)
C21H24ClN7O2S

>  <MolWeight> (4)
473.97896

>  <Cat> (4)
S1035

>  <Name> (4)
Pazopanib HCl

>  <Synonyms> (4)
GW786034

>  <Target> (4)
VEGFR, PDGFR, c-Kit

>  <Form> (4)
Hydrochloride

>  <CAS> (4)
635702-64-6

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

$$$$
AG-490.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (5)
87

>  <Formula> (5)
C17H14N2O3

>  <MolWeight> (5)
294.30466

>  <Cat> (5)
S1143

>  <Name> (5)
AG-490 (Tyrphostin B42)

>  <Synonyms> (5)
N/A

>  <Target> (5)
JAK, EGFR

>  <Form> (5)
Free Base

>  <CAS> (5)
133550-30-8 

>  <URL> (5)
http://www.selleckchem.com/products/AG-490.html

$$$$
S31-201.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (6)
95

>  <Formula> (6)
C16H15NO7S

>  <MolWeight> (6)
365.3578

>  <Cat> (6)
S1155

>  <Name> (6)
NSC 74859 (S3I-201)

>  <Synonyms> (6)
N/A 

>  <Target> (6)
STAT

>  <Form> (6)
Free Base

>  <CAS> (6)
501919-59-1

>  <URL> (6)
http://www.selleckchem.com/products/S31-201.html

$$$$
CP-724,714.cdx
csChFnd80/10272009262D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (7)
98

>  <Formula> (7)
C27H27N5O3

>  <MolWeight> (7)
469.53498

>  <Cat> (7)
S1167

>  <Name> (7)
CP-724714

>  <Synonyms> (7)
N/A

>  <Target> (7)
EGFR, HER2

>  <Form> (7)
Free Base

>  <CAS> (7)
537705-08-1

>  <URL> (7)
http://www.selleckchem.com/products/CP-724714.html

$$$$
ENMD-2076.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (8)
110

>  <Formula> (8)
C21H25N7

>  <MolWeight> (8)
375.4701

>  <Cat> (8)
S1181

>  <Name> (8)
ENMD-2076

>  <Synonyms> (8)
N/A 

>  <Target> (8)
Flt, Aurora Kinase, VEGFR

>  <Form> (8)
Tartaric Acid 

>  <CAS> (8)
934353-76-1

>  <URL> (8)
http://www.selleckchem.com/products/ENMD-2076.html

$$$$
Aprepitant.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (9)
116

>  <Formula> (9)
C23H21F7N4O3

>  <MolWeight> (9)
534.4266624

>  <Cat> (9)
S1189

>  <Name> (9)
Aprepitant (MK-0869)

>  <Synonyms> (9)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (9)
Substance P

>  <Form> (9)
Free Base

>  <CAS> (9)
170729-80-3

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

$$$$
S119401 CUDC-101.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (10)
120

>  <Formula> (10)
C24H26N4O4

>  <MolWeight> (10)
434.48764

>  <Cat> (10)
S1194

>  <Name> (10)
CUDC-101

>  <Synonyms> (10)
N/A

>  <Target> (10)
HDAC, EGFR, HER2

>  <Form> (10)
Free Base

>  <CAS> (10)
1012054-59-9

>  <URL> (10)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
OSI-930.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (11)
132

>  <Formula> (11)
C22H16F3N3O2S

>  <MolWeight> (11)
443.4415496

>  <Cat> (11)
S1220

>  <Name> (11)
OSI-930

>  <Synonyms> (11)
N/A

>  <Target> (11)
c-Kit, VEGFR

>  <Form> (11)
Free Base

>  <CAS> (11)
728033-96-3

>  <URL> (11)
http://www.selleckchem.com/products/OSI-930.html

$$$$
AEE-788.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (12)
304

>  <Formula> (12)
C27H32N6

>  <MolWeight> (12)
440.58318

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S1486

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AEE788 (NVP-AEE788)

>  <Synonyms> (12)
N/A 

>  <Target> (12)
EGFR, Flt, VEGFR, HER2

>  <Form> (12)
Free Base

>  <CAS> (12)
497839-62-0

>  <URL> (12)
http://www.selleckchem.com/products/AEE788.html

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/10272009262D

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312

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C10H14N4O4

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254.24256

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S1504

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Dyphylline (Dilor)

>  <Synonyms> (13)
Neothylline, Lufyllin, diprophylline

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PDE

>  <Form> (13)
Free Base

>  <CAS> (13)
479-18-5

>  <URL> (13)
http://www.selleckchem.com/products/Dyphylline(Dilor).html

$$$$
DMXAA.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (14)
332

>  <Formula> (14)
C17H14O4

>  <MolWeight> (14)
282.29066

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S1537

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DMXAA (Vadimezan)

>  <Synonyms> (14)
AS-1404, 5,6-MeXAA, NSC-640488, Vadimezan 

>  <Target> (14)
VDA

>  <Form> (14)
Free Base

>  <CAS> (14)
117570-53-3

>  <URL> (14)
http://www.selleckchem.com/products/DMXAA(ASA404).html

$$$$
Artesunate.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (15)
391

>  <Formula> (15)
C19H28O8

>  <MolWeight> (15)
384.42082

>  <Cat> (15)
S2265

>  <Name> (15)
Artesunate

>  <Synonyms> (15)
N/A

>  <Target> (15)
STAT

>  <Form> (15)
Free Base

>  <CAS> (15)
88495-63-0

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

$$$$
untitled.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (16)
497

>  <Formula> (16)
C29H41F2N5O

>  <MolWeight> (16)
513.6655464

>  <Cat> (16)
S2003

>  <Name> (16)
Maraviroc

>  <Synonyms> (16)
UK-427857, Celsentri 

>  <Target> (16)
CCR5 

>  <Form> (16)
Free Base

>  <CAS> (16)
376348-65-1

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

$$$$
Arry-380.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (17)
544

>  <Formula> (17)
C29H27N7O4S

>  <MolWeight> (17)
569.63418

>  <Cat> (17)
S2752

>  <Name> (17)
HER2 Inhibitor 1

>  <Synonyms> (17)
N/A

>  <Target> (17)
HER2, EGFR

>  <Form> (17)
Free Base

>  <CAS> (17)
937265-83-3

>  <URL> (17)
http://www.selleckchem.com/products/arry-380.html

$$$$
Lapatinib freebase.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (18)
553

>  <Formula> (18)
C29H26ClFN4O4S

>  <MolWeight> (18)
581.0575432

>  <Cat> (18)
S2111

>  <Name> (18)
Lapatinib

>  <Synonyms> (18)
N/A

>  <Target> (18)
EGFR, HER2

>  <Form> (18)
Free Base

>  <CAS> (18)
231277-92-2

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

$$$$
TAK-285.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (19)
587

>  <Formula> (19)
C26H25ClF3N5O3

>  <MolWeight> (19)
547.9566096

>  <Cat> (19)
S2784

>  <Name> (19)
TAK-285

>  <Synonyms> (19)
N/A

>  <Target> (19)
EGFR, HER2

>  <Form> (19)
Free Base

>  <CAS> (19)
871026-44-7

>  <URL> (19)
http://www.selleckchem.com/products/tak-285.html

$$$$
Istradefylline (KW-6002).cdx
csChFnd80/10272009262D

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Istradefylline (KW-6002)

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N/A

>  <Target> (20)
Adenosine Receptor

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Free Base

>  <CAS> (20)
155270-99-8

>  <URL> (20)
http://www.selleckchem.com/products/istradefylline-kw-6002.html

$$$$
WP1066.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (21)
593

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C17H14BrN3O

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WP1066

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N/A

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JAK 

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Free Base

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857064-38-1

>  <URL> (21)
http://www.selleckchem.com/products/wp1066.html

$$$$
Bindarit.cdx
csChFnd80/10272009262D

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607

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C19H20N2O3

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Bindarit

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N/A 

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Others

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Free Base

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130641-38-2

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

$$$$
AG-879.cdx
csChFnd80/10272009262D

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616

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C18H24N2OS

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Tyrphostin AG 879 (AG 879)

>  <Synonyms> (23)
N/A 

>  <Target> (23)
HER2

>  <Form> (23)
Free Base

>  <CAS> (23)
148741-30-4

>  <URL> (23)
http://www.selleckchem.com/products/tyrphostin-ag-879-ag-879.html

$$$$
Palmatine hydrochloride.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (24)
630

>  <Formula> (24)
C21H22ClNO4

>  <MolWeight> (24)
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>  <Cat> (24)
S2397

>  <Name> (24)
Palmatine chloride

>  <Synonyms> (24)
Palmatine hydrochloride

>  <Target> (24)
Others

>  <Form> (24)
Chloride

>  <CAS> (24)
10605-02-4

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

$$$$
AZD8931.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (25)
672

>  <Formula> (25)
C23H25ClFN5O3

>  <MolWeight> (25)
473.9277032

>  <Cat> (25)
S2192

>  <Name> (25)
AZD8931

>  <Synonyms> (25)
N/A

>  <Target> (25)
EGFR, HER2

>  <Form> (25)
Free Base

>  <CAS> (25)
848942-61-0

>  <URL> (25)
http://www.selleckchem.com/products/AZD8931.html

$$$$
Mubritinib.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (26)
685

>  <Formula> (26)
C25H23F3N4O2

>  <MolWeight> (26)
468.4709296

>  <Cat> (26)
S2216

>  <Name> (26)
Mubritinib (TAK 165)

>  <Synonyms> (26)
TAK 165, TAK165

>  <Target> (26)
HER2

>  <Form> (26)
Free Base

>  <CAS> (26)
366017-09-6

>  <URL> (26)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (27)
690

>  <Formula> (27)
C22H18O11

>  <MolWeight> (27)
458.37172

>  <Cat> (27)
S2250

>  <Name> (27)
(-)-Epigallocatechin gallate

>  <Synonyms> (27)
EGCG

>  <Target> (27)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (27)
Free Base

>  <CAS> (27)
989-51-5

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

$$$$
Cryptotanshinone.cdx
csChFnd80/10272009262D

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 10  5  2  0  0  0  0
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M  END
>  <Mol_ID> (28)
714

>  <Formula> (28)
C19H20O3

>  <MolWeight> (28)
296.3603

>  <Cat> (28)
S2285

>  <Name> (28)
Cryptotanshinone

>  <Synonyms> (28)
N/A

>  <Target> (28)
STAT

>  <Form> (28)
Free Base

>  <CAS> (28)
35825-57-1

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

$$$$
Nobiletin.cdx
csChFnd80/10272009262D

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750

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C21H22O8

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Nobiletin (Hexamethoxyflavone)

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N/A 

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MMP

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478-01-3

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

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904

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C21H27N7O3

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GSK690693

>  <Synonyms> (30)
N/A

>  <Target> (30)
Akt

>  <Form> (30)
Free Base

>  <CAS> (30)
937174-76-0

>  <URL> (30)
http://www.selleckchem.com/products/GSK690693.html

$$$$
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946

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C24H25ClFN5O2

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Dacomitinib (PF299804, PF-00299804)

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N/A

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EGFR

>  <Form> (31)
Free Base

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

>  <URL> (31)
http://www.selleckchem.com/products/pf299804.html

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>  <Mol_ID> (32)
1039

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C12H10FN3O2S

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TPCA-1

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N/A 

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IKK

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Free Base

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507475-17-4

>  <URL> (32)
http://www.selleckchem.com/products/tpca-1.html

$$$$
WHI-P154.cdx
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1090

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WHI-P154

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JAK, EGFR

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952021-60-2

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144-82-1

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>  <Mol_ID> (39)
1247

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C23H30ClN7O6

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S2153

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CGS 21680 HCl

>  <Synonyms> (39)
N/A

>  <Target> (39)
5-alpha Reductase

>  <Form> (39)
Hydrochloride

>  <CAS> (39)
124431-80-7

>  <URL> (39)
http://www.selleckchem.com/products/CGS-21680-hydrochloride.html

$$$$
Doxofylline.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (40)
1363

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C11H14N4O4

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Doxofylline

>  <Synonyms> (40)
N/A

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PDE

>  <Form> (40)
Free Base

>  <CAS> (40)
69975-86-6

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

$$$$
nifuroxazide.cdx
csChFnd80/10272009262D

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1368

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Nifuroxazide

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STAT

>  <Form> (41)
Free Base

>  <CAS> (41)
965-52-6

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

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/10272009262D

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C11H12N4O3S

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>  <Name> (42)
Sulfamethoxypyridazine

>  <Synonyms> (42)
N/A

>  <Target> (42)
Antifection

>  <Form> (42)
Free Base

>  <CAS> (42)
80-35-3

>  <URL> (42)
http://www.selleckchem.com/products/sulfamethoxypyridazine.html

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/10272009262D

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1527

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C24H25ClFN5O3

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>  <Name> (43)
Afatinib (BIBW2992)

>  <Synonyms> (43)
N/A

>  <Target> (43)
EGFR

>  <Form> (43)
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>  <CAS> (43)
439081-18-2

>  <URL> (43)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
PF-2341066.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (44)
1549

>  <Formula> (44)
C21H22Cl2FN5O

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450.3366832

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S1068

>  <Name> (44)
Crizotinib (PF-02341066)

>  <Synonyms> (44)
N/A 

>  <Target> (44)
c-Met, ALK

>  <Form> (44)
Free Base

>  <CAS> (44)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (44)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
BMS-599626 (AC480).cdx
csChFnd80/10272009262D

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>  <Mol_ID> (45)
1559

>  <Formula> (45)
C27H27FN8O3

>  <MolWeight> (45)
530.5534832

>  <Cat> (45)
S1056

>  <Name> (45)
AC480 (BMS-599626)

>  <Synonyms> (45)
N/A

>  <Target> (45)
HER2

>  <Form> (45)
Free Base

>  <CAS> (45)
714971-09-2

>  <URL> (45)
http://www.selleckchem.com/products/BMS-599626.html

$$$$
S4719 Kynurenic acid.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (46)
1703

>  <Formula> (46)
C10H7NO3

>  <MolWeight> (46)
189.16748

>  <Cat> (46)
S4719

>  <Name> (46)
Kynurenic acid

>  <Synonyms> (46)
Quinurenic acid|Kynurenate

>  <Target> (46)
Others

>  <Form> (46)
Free Base

>  <CAS> (46)
492-27-3

>  <URL> (46)
http://www.selleckchem.com/products/kynurenic-acid.html

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (47)
1840

>  <Formula> (47)
C17H17N3Na2O8

>  <MolWeight> (47)
437.31172

>  <Cat> (47)
S3745

>  <Name> (47)
Balsalazide disodium

>  <Synonyms> (47)
N/A

>  <Target> (47)
Immunology & Inflammation related

>  <Form> (47)
disodium salt dihydrate

>  <CAS> (47)
150399-21-6

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

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (48)
1883

>  <Formula> (48)
C18H22O4

>  <MolWeight> (48)
302.36488

>  <Cat> (48)
S3984

>  <Name> (48)
Nordihydroguaiaretic acid

>  <Synonyms> (48)
N/A

>  <Target> (48)
lipoxygenase

>  <Form> (48)
free base

>  <CAS> (48)
500-38-9

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

$$$$
S3840 Baohuoside I.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (49)
1907

>  <Formula> (49)
C27H30O10

>  <MolWeight> (49)
514.5211

>  <Cat> (49)
S3840

>  <Name> (49)
Baohuoside I

>  <Synonyms> (49)
Icariside II

>  <Target> (49)
ROS

>  <CAS> (49)
113558-15-9

>  <URL> (49)
http://www.selleckchem.com/products/baohuoside-i.html

$$$$
S3804 Alpha-Mangostin.cdx
csChFnd80/10272009262D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (50)
1972

>  <Formula> (50)
C24H26O6

>  <MolWeight> (50)
410.45964

>  <Cat> (50)
S3804

>  <Name> (50)
Alpha-Mangostin

>  <Synonyms> (50)
N/A

>  <Target> (50)
Others

>  <Form> (50)
free base

>  <CAS> (50)
1551491

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

$$$$
Plerixafor 8HCl.cdx
csChFnd80/10272009262D

 44 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (51)
2004

>  <Formula> (51)
C28H62Cl8N8

>  <MolWeight> (51)
794.46948

>  <Cat> (51)
S3013

>  <Name> (51)
Plerixafor 8HCl (DB06809)

>  <Synonyms> (51)
AMD3100 

>  <Target> (51)
CXCR

>  <Form> (51)
Octahydrochloride 

>  <CAS> (51)
155148-31-5

>  <URL> (51)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/10272009262D

 32 31  0  0  0  0  0  0  0  0999 V2000
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    6.0615    8.2873    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.3927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1241    7.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3365    8.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6258    1.4433    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.0258    1.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6258    2.8433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6258    0.0433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2258    1.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4932    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6932    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
M  END
>  <Mol_ID> (52)
2040

>  <Formula> (52)
C18H32ClN3O8P2

>  <MolWeight> (52)
515.862502

>  <Cat> (52)
S4157

>  <Name> (52)
Chloroquine Phosphate

>  <Synonyms> (52)
N/A

>  <Target> (52)
Others

>  <Form> (52)
Diphosphate

>  <CAS> (52)
50-63-5

>  <URL> (52)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/10272009262D

 81 88  0  0  0  0  0  0  0  0999 V2000
   13.1660    8.6148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3997    7.8581    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9531    7.9204    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1660   10.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6332    8.6148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3997    6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3997    9.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9531    6.5103    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7197    8.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9841    9.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3997   10.6984    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6332   10.0040    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.0696    8.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6023    6.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1660    5.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7197    5.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4857    7.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3997   12.1085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4450    4.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8177    4.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8359   12.1085    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2523    5.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5091   12.7407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0696   12.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2922   13.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0498    6.5415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.3638   14.1610    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.2823   12.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8056    5.8158    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0184    7.9204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5859   14.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1890   14.8754    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.4540   12.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8056    4.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4889    6.5103    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7227    8.6148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.6099   16.2647    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1765   16.3122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9828   14.1381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6253   12.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6963    3.5559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4889    7.9204    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2762    5.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6914   10.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4351   16.9790    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.7970   16.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0411   17.0835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8278   12.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6253   10.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4629    4.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2762    8.6148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.0027   16.2233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430    3.4315    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6078    1.3892    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8679    1.4722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2307   16.8945    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3430    2.0215    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1717    4.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6078    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4761   16.2329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2399   18.2652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1717    1.2648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6380   16.8821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.4418   18.9717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.0372   18.9310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6209   18.2882    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.8085   16.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4658   20.3715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7919   18.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0190   16.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1660    7.2568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9841    5.2975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6023   11.0822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1005   11.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 78  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  1  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  6  0  0  0
  6 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 15  1  0  0  0  0
  8 79  1  6  0  0  0
  9 17  1  0  0  0  0
 11 18  1  1  0  0  0
 11 12  1  0  0  0  0
 12 19  1  0  0  0  0
 12 80  1  1  0  0  0
 13 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 21  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 19 81  1  6  0  0  0
 21 25  1  1  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  6  0  0  0
 29 25  1  1  0  0  0
 30 26  1  1  0  0  0
 27 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 30 35  1  0  0  0  0
 31 36  1  0  0  0  0
 32 37  1  6  0  0  0
 32 38  1  0  0  0  0
 33 39  1  0  0  0  0
 34 40  1  0  0  0  0
 35 41  1  0  0  0  0
 35 42  1  6  0  0  0
 36 43  2  0  0  0  0
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 38 45  1  0  0  0  0
 38 46  1  1  0  0  0
 39 47  1  1  0  0  0
 39 45  1  0  0  0  0
 40 48  1  0  0  0  0
 40 49  1  1  0  0  0
 41 50  1  1  0  0  0
 41 48  1  0  0  0  0
 43 51  1  0  0  0  0
 43 52  1  0  0  0  0
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 44 54  1  0  0  0  0
 45 55  1  6  0  0  0
 47 56  1  0  0  0  0
 48 57  1  6  0  0  0
 49 58  1  0  0  0  0
 53 59  1  0  0  0  0
 54 60  1  0  0  0  0
 54 61  1  6  0  0  0
 62 58  1  1  0  0  0
 59 63  1  0  0  0  0
 59 64  1  1  0  0  0
 60 65  1  1  0  0  0
 60 63  1  0  0  0  0
 62 66  1  0  0  0  0
 62 67  1  0  0  0  0
 63 68  1  6  0  0  0
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 66 70  1  0  0  0  0
 67 71  1  0  0  0  0
 67 72  1  6  0  0  0
 70 73  1  0  0  0  0
 70 74  1  1  0  0  0
 71 75  1  1  0  0  0
 71 73  1  0  0  0  0
 73 76  1  6  0  0  0
 74 77  1  0  0  0  0
M  END
>  <Mol_ID> (53)
2062

>  <Formula> (53)
C54H92O23

>  <MolWeight> (53)
1109.29448

>  <Cat> (53)
S3924

>  <Name> (53)
Ginsenoside Rb1

>  <Synonyms> (53)
Gypenoside ¢ó

>  <Target> (53)
Others

>  <Form> (53)
free base

>  <CAS> (53)
41753-43-9

>  <URL> (53)
http://www.selleckchem.com/products/ginsenoside-rb1.html

$$$$
S4785 Nicotinamide N-oxide.cdx
csChFnd80/10272009262D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4179    3.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2038    4.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    3.4874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    5.5882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    2.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (54)
2107

>  <Formula> (54)
C6H6N2O2

>  <MolWeight> (54)
138.12404

>  <Cat> (54)
S4785

>  <Name> (54)
Nicotinamide N-oxide

>  <Synonyms> (54)
Nicotinamide 1-oxide, 1-oxynicotinamide, 1-Oxy-nicotinamide

>  <Target> (54)
Others

>  <Form> (54)
free base

>  <CAS> (54)
1986-81-8

>  <URL> (54)
http://www.selleckchem.com/products/nicotinamide-n-oxide.html

$$$$
S3951 Tannic acid.cdx
csChFnd80/10272009262D

122132  0  0  0  0  0  0  0  0999 V2000
   12.5946   10.9248    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9904   10.9292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8929   12.1313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8984    9.7101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6846   12.1404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6942    9.7190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5871   13.3426    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4929   12.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4984    9.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9828   13.3472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0847   12.1448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0942    9.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8832   14.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7891   13.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8022    8.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7946   10.9159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7980    8.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (55)
2136

>  <Formula> (55)
C76H52O46

>  <MolWeight> (55)
1701.19848

>  <Cat> (55)
S3951

>  <Name> (55)
Tannic acid

>  <Synonyms> (55)
Gallotannic acid

>  <Target> (55)
CXCR4 

>  <Form> (55)
free base

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

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

$$$$
S3988 Theophylline-7-acetic acid.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (56)
2151

>  <Formula> (56)
C9H10N4O4

>  <MolWeight> (56)
238.2001

>  <Cat> (56)
S3988

>  <Name> (56)
Theophylline-7-acetic acid

>  <Synonyms> (56)
Acefylline, acetyloxytheophylline, Carboxymethyltheophylline

>  <Target> (56)
adenosine receptor

>  <Form> (56)
free base

>  <CAS> (56)
652-37-9

>  <URL> (56)
http://www.selleckchem.com/products/theophylline-7-acetic.html

$$$$
S4932 Proxyphylline.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (57)
2195

>  <Formula> (57)
C10H14N4O3

>  <MolWeight> (57)
238.24316

>  <Cat> (57)
S4932

>  <Name> (57)
Proxyphylline

>  <Synonyms> (57)
Monophylline, Spasmolysin

>  <Target> (57)
Adenosine Receptor

>  <Form> (57)
free base

>  <CAS> (57)
603-00-9

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

$$$$
S3810 Scutellarin.cdx
csChFnd80/10272009262D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 15  1  1  0  0  0
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 25 30  1  1  0  0  0
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 29 32  1  0  0  0  0
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M  END
>  <Mol_ID> (58)
2289

>  <Formula> (58)
C21H18O12

>  <MolWeight> (58)
462.36042

>  <Cat> (58)
S3810

>  <Name> (58)
Scutellarin

>  <Synonyms> (58)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (58)
Others

>  <Form> (58)
free base

>  <CAS> (58)
27740-01-8

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

$$$$
untitled.cdx
csChFnd80/10272009262D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
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 21 22  1  0  0  0  0
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M  END
>  <Mol_ID> (59)
2290

>  <Formula> (59)
C24H25ClFN5O3

>  <MolWeight> (59)
485.9384032

>  <Cat> (59)
S1019

>  <Name> (59)
CI-1033 (Canertinib)

>  <Synonyms> (59)
PD-183805 

>  <Target> (59)
EGFR, HER2

>  <Form> (59)
Free Base

>  <CAS> (59)
267243-28-7

>  <URL> (59)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$

csChFnd80/10272009262D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (60)
2326

>  <Formula> (60)
C24H22F3N5O5

>  <MolWeight> (60)
517.4571896

>  <Cat> (60)
S8015

>  <Name> (60)
CEP-32496

>  <Synonyms> (60)
N/A

>  <Target> (60)
Raf

>  <Form> (60)
Free Base

>  <CAS> (60)
1188910-76-0

>  <URL> (60)
http://www.selleckchem.com/products/cep-32496.html

$$$$
Plerixafor.cdx
csChFnd80/10272009262D

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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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870483-87-7

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http://www.selleckchem.com/products/gw2580.html

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Neratinib (HKI-272)

>  <Synonyms> (67)
N/A 

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HER2, EGFR

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Free Base

>  <CAS> (67)
698387-09-6

>  <URL> (67)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

$$$$
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csChFnd80/10272009262D

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C14H15Cl2NS

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S1984

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Ticlopidine hydrochloride

>  <Synonyms> (68)
N/A

>  <Target> (68)
P2 Receptor

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Hydrochloride

>  <CAS> (68)
53885-35-1

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

$$$$
NLG-919.cdx
csChFnd80/10272009262D

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C18H22N2O

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NLG919

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N/A

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IDO

>  <Form> (69)
Free Base

>  <CAS> (69)
1402836-58-1

>  <URL> (69)
http://www.selleckchem.com/products/nlg919.html

$$$$
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N/A

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NF-¦ÊB

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1474034-05-3

>  <URL> (70)
http://www.selleckchem.com/products/omaveloxolone-rta-408.html

$$$$
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Epacadostat (INCB024360)

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N/A

>  <Target> (71)
IDO

>  <Form> (71)
Free Base

>  <CAS> (71)
1204669-58-8

>  <URL> (71)
http://www.selleckchem.com/products/epacadostat-incb024360.html

$$$$
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C28H32O6

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FLLL32

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N/A

>  <Target> (72)
JAK

>  <Form> (72)
Free Base

>  <CAS> (72)
1226895-15-3

>  <URL> (72)
http://www.selleckchem.com/products/flll32.html

$$$$
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2537

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>  <Name> (73)
BMS202 (PD-1/PD-L1 inhibitor 2)

>  <Synonyms> (73)
N/A

>  <Target> (73)
PD-1/PD-L1

>  <Form> (73)
Free Base

>  <CAS> (73)
1675203-84-5

>  <URL> (73)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-2.html

$$$$
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>  <Mol_ID> (74)
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C17H12F9NO3S

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T0901317

>  <Synonyms> (74)
N/A

>  <Target> (74)
Liver X Receptor

>  <Form> (74)
Free Base

>  <CAS> (74)
293754-55-9

>  <URL> (74)
http://www.selleckchem.com/products/t0901317.html

$$$$
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>  <Mol_ID> (79)
2889

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C9H7ClFN5O2

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S7587

>  <Name> (79)
INCB024360 analogue

>  <Synonyms> (79)
N/A

>  <Target> (79)
IDO

>  <Form> (79)
Free Base

>  <CAS> (79)
914471-09-3

>  <URL> (79)
http://www.selleckchem.com/products/incb024360.html

$$$$
Hydroxychloroquine sulfate.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (80)
2933

>  <Formula> (80)
C18H28ClN3O5S

>  <MolWeight> (80)
433.95002

>  <Cat> (80)
S4430

>  <Name> (80)
Hydroxychloroquine Sulfate

>  <Synonyms> (80)
N/A

>  <Target> (80)
Autophagy

>  <Form> (80)
Sulfate

>  <CAS> (80)
747-36-4

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

$$$$
SB225002.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (81)
2934

>  <Formula> (81)
C13H10BrN3O4

>  <MolWeight> (81)
352.1402

>  <Cat> (81)
S7651

>  <Name> (81)
SB225002

>  <Synonyms> (81)
N/A

>  <Target> (81)
CXCR

>  <Form> (81)
Free Base

>  <CAS> (81)
182498-32-4

>  <URL> (81)
http://www.selleckchem.com/products/sb225002.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/10272009262D

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>  <Mol_ID> (82)
2966

>  <Formula> (82)
C23H21Cl2FN4O3

>  <MolWeight> (82)
491.3422432

>  <Cat> (82)
S7358

>  <Name> (82)
Poziotinib (HM781-36B)

>  <Synonyms> (82)
NOV120101

>  <Target> (82)
EGFR

>  <Form> (82)
Free Base

>  <CAS> (82)
1092364-38-9

>  <URL> (82)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
Indoximod.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (83)
2985

>  <Formula> (83)
C12H14N2O2

>  <MolWeight> (83)
218.25176

>  <Cat> (83)
S7756

>  <Name> (83)
Indoximod (NLG-8189)

>  <Synonyms> (83)
1-Methyl-D-tryptophan

>  <Target> (83)
IDO

>  <Form> (83)
Free Base

>  <CAS> (83)
110117-83-4

>  <URL> (83)
http://www.selleckchem.com/products/indoximod-nlg-8189.html

$$$$
BLZ945.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (84)
2991

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N/A

>  <Target> (84)
CSF-1R

>  <Form> (84)
Free Base

>  <CAS> (84)
953769-46-5

>  <URL> (84)
http://www.selleckchem.com/products/blz945.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (85)
3024

>  <Formula> (85)
C32H33ClFN5O11

>  <MolWeight> (85)
718.0827232

>  <Cat> (85)
S7810

>  <Name> (85)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (85)
N/A

>  <Target> (85)
EGFR

>  <Form> (85)
Dimaleate

>  <CAS> (85)
850140-73-7

>  <URL> (85)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
PLX3397.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (86)
3054

>  <Formula> (86)
C20H15ClF3N5

>  <MolWeight> (86)
417.8148096

>  <Cat> (86)
S7818

>  <Name> (86)
Pexidartinib (PLX3397)

>  <Synonyms> (86)
N/A

>  <Target> (86)
CSF-1R

>  <Form> (86)
Free Base

>  <CAS> (86)
1029044-16-3

>  <URL> (86)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

$$$$
BBI608(Napabucasin.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (87)
3067

>  <Formula> (87)
C14H8O4

>  <MolWeight> (87)
240.21092

>  <Cat> (87)
S7977

>  <Name> (87)
Napabucasin

>  <Synonyms> (87)
N/A

>  <Target> (87)
STAT

>  <Form> (87)
Free Base

>  <CAS> (87)
83280-65-3

>  <URL> (87)
http://www.selleckchem.com/products/napabucasin-bbi608.html

$$$$
VTX-2337.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (88)
3088

>  <Formula> (88)
C28H34N4O2

>  <MolWeight> (88)
458.59516

>  <Cat> (88)
S7161

>  <Name> (88)
Motolimod (VTX-2337)

>  <Synonyms> (88)
N/A

>  <Target> (88)
TLR

>  <Form> (88)
Free Base

>  <CAS> (88)
926927-61-9

>  <URL> (88)
http://www.selleckchem.com/products/motolimod-vtx-2337.html

$$$$
Resiquimod.cdx
csChFnd80/10272009262D

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 10  6  1  0  0  0  0
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M  END
>  <Mol_ID> (89)
3101

>  <Formula> (89)
C17H22N4O2

>  <MolWeight> (89)
314.38218

>  <Cat> (89)
S8133

>  <Name> (89)
Resiquimod

>  <Synonyms> (89)
R-848

>  <Target> (89)
TLR

>  <Form> (89)
Free Base

>  <CAS> (89)
144875-48-9

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

$$$$
SCH58261.cdx
csChFnd80/10272009262D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (90)
3125

>  <Formula> (90)
C18H15N7O

>  <MolWeight> (90)
345.358

>  <Cat> (90)
S8104

>  <Name> (90)
SCH58261

>  <Synonyms> (90)
N/A

>  <Target> (90)
Adenosine Receptor

>  <Form> (90)
Free Base

>  <CAS> (90)
160098-96-4

>  <URL> (90)
http://www.selleckchem.com/products/sch58261.html

$$$$
STA-21.cdx
csChFnd80/10272009262D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (91)
3127

>  <Formula> (91)
C19H14O4

>  <MolWeight> (91)
306.31206

>  <Cat> (91)
S7951

>  <Name> (91)
STA-21

>  <Synonyms> (91)
N/A

>  <Target> (91)
STAT

>  <Form> (91)
Free Base

>  <CAS> (91)
111540-00-2

>  <URL> (91)
http://www.selleckchem.com/products/sta-21.html

$$$$
BEC Hydrochloride.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (92)
3134

>  <Formula> (92)
C5H13BClNO4S

>  <MolWeight> (92)
229.49002

>  <Cat> (92)
S7929

>  <Name> (92)
BEC Hydrochloride

>  <Synonyms> (92)
N/A

>  <Target> (92)
Others

>  <Form> (92)
hydrochloride salt

>  <CAS> (92)
222638-67-7

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

$$$$
PD-1PD-L1 inhibitor 1.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (93)
3136

>  <Formula> (93)
C29H33NO5

>  <MolWeight> (93)
475.57602

>  <Cat> (93)
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>  <Name> (93)
PD-1/PD-L1 inhibitor 1

>  <Synonyms> (93)
N/A

>  <Target> (93)
PD-1/PD-L1

>  <Form> (93)
Free Base

>  <CAS> (93)
1675201-83-8

>  <URL> (93)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-1.html

$$$$
ZM241385.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (94)
3207

>  <Formula> (94)
C16H15N7O2

>  <MolWeight> (94)
337.336

>  <Cat> (94)
S8105

>  <Name> (94)
ZM241385

>  <Synonyms> (94)
N/A
N/A

>  <Target> (94)
Adenosine Receptor

>  <Form> (94)
Free Base

>  <CAS> (94)
139180-30-6

>  <URL> (94)
http://www.selleckchem.com/products/zm241385.html

$$$$
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1228585-88-3

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http://www.selleckchem.com/products/gs-9620.html

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874911-96-3

>  <URL> (97)
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>  <Mol_ID> (98)
3300

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C15H20O2

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Alantolactone

>  <Synonyms> (98)
helenin, helenine, Eupatal

>  <Target> (98)
Others

>  <Form> (98)
Free Base

>  <CAS> (98)
546-43-0

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

$$$$
NT157.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (99)
3313

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C16H14BrNO5S

>  <MolWeight> (99)
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NT157

>  <Synonyms> (99)
N/A

>  <Target> (99)
IGF-1R

>  <Form> (99)
Free Base

>  <CAS> (99)
1384426-12-3

>  <URL> (99)
http://www.selleckchem.com/products/nt157.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/10272009262D

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>  <Mol_ID> (100)
3321

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C26H24N8O2

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>  <Name> (100)
ARRY-380 (ONT-380)

>  <Synonyms> (100)
Tucatinib

>  <Target> (100)
HER2

>  <Form> (100)
Free Base

>  <CAS> (100)
937263-43-9

>  <URL> (100)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
LM10.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (101)
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N/A

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Free Base

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1316695-35-8

>  <URL> (101)
http://www.selleckchem.com/products/lm10.html

$$$$
JNJ-42756493 (Erdafitinib).cdx
csChFnd80/10272009262D

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>  <Synonyms> (102)
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>  <Target> (102)
FGFR

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   15.5693    0.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4445   24.7744    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   24.7744    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   14.5833   15.0522    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8611   15.0522    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   24.3056   15.0522    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
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 10 15  2  0  0  0  0
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M  END
>  <Mol_ID> (106)
3377

>  <Formula> (106)
C24H44Br6N6

>  <MolWeight> (106)
896.07036

>  <Cat> (106)
S2879

>  <Name> (106)
AMD3465 hexahydrobromide

>  <Synonyms> (106)
N/A

>  <Target> (106)
CXCR

>  <Form> (106)
HBr

>  <CAS> (106)
185991-07-5, 185991-24-6 (free base)

>  <URL> (106)
http://www.selleckchem.com/products/amd3465.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (107)
3392

>  <Formula> (107)
C15H18O2

>  <MolWeight> (107)
230.30222

>  <Cat> (107)
S8291

>  <Name> (107)
Atractylenolide I

>  <Synonyms> (107)
N/A

>  <Target> (107)
Immunology & Inflammation related

>  <Form> (107)
Free Base

>  <CAS> (107)
73069-13-3
73069-13-3

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

$$$$
DAPTA.cdx
csChFnd80/10272009262D

 64 64  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (108)
3424

>  <Formula> (108)
C35H56N10O15

>  <MolWeight> (108)
856.87714

>  <Cat> (108)
S8501

>  <Name> (108)
DAPTA

>  <Synonyms> (108)
D-Ala-peptide T-amide, peptide T

>  <Target> (108)
gp120 Bal-CCR5,CM235-CCR5

>  <Form> (108)
free base

>  <CAS> (108)
106362-34-9

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

$$$$
AUNP-12.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (109)
3437

>  <Formula> (109)
C142H226N40O48

>  <MolWeight> (109)
3261.55304

>  <Cat> (109)
S8549

>  <Name> (109)
AUNP-12

>  <Synonyms> (109)
Aur-012, Aurigene-012, Aurigene NP-12

>  <Target> (109)
PD-1

>  <CAS> (109)
1353563-85-5

>  <URL> (109)
http://www.selleckchem.com/products/aunp-12.html

$$$$
HJC0152.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (110)
3469

>  <Formula> (110)
C15H14Cl3N3O4

>  <MolWeight> (110)
406.64836

>  <Cat> (110)
S8561

>  <Name> (110)
HJC0152

>  <Synonyms> (110)
N/A

>  <Target> (110)
STAT3

>  <Form> (110)
hydrochloride

>  <CAS> (110)
1420290-99-8

>  <URL> (110)
http://www.selleckchem.com/products/hjc0152.html

$$$$
PRN1371.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (111)
3473

>  <Formula> (111)
C26H30Cl2N6O4

>  <MolWeight> (111)
561.4602

>  <Cat> (111)
S8578

>  <Name> (111)
PRN1371

>  <Synonyms> (111)
N/A

>  <Target> (111)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (111)
free base

>  <CAS> (111)
1802929-43-6

>  <URL> (111)
http://www.selleckchem.com/products/prn1371.html

$$$$
CPI-444.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (112)
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>  <Name> (112)
A2AR antagonist 1

>  <Synonyms> (112)
N/A

>  <Target> (112)
A2AR,A1R

>  <Form> (112)
free base

>  <CAS> (112)
443103-97-7

>  <URL> (112)
http://www.selleckchem.com/products/a2ar-antagonist-1.html

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/10272009262D

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>  <Mol_ID> (113)
3496

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C14H21NO3S

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Reparixin (Repertaxin)

>  <Synonyms> (113)
N/A

>  <Target> (113)
CXCR1,CXCR2,CXCL8

>  <Form> (113)
free base

>  <CAS> (113)
266359-83-5

>  <URL> (113)
http://www.selleckchem.com/products/reparixin-repertaxin.html

$$$$
CA-4948.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (114)
3520

>  <Formula> (114)
C21H19N7O3

>  <MolWeight> (114)
417.42066

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S8562

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CA-4948

>  <Synonyms> (114)
N/A

>  <Target> (114)
IRAK4

>  <Form> (114)
free base

>  <CAS> (114)
1801343-74-7

>  <URL> (114)
http://www.selleckchem.com/products/ca-4948.html

$$$$
PF-06840003.cdx
csChFnd80/10272009262D

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>  <Mol_ID> (115)
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C12H9FN2O2

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>  <Name> (115)
PF-06840003

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EOS200271

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IDO-1

>  <Form> (115)
free base

>  <CAS> (115)
198474-05-4

>  <URL> (115)
http://www.selleckchem.com/products/pf-06840003.html

$$$$
C188-9.cdx
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>  <Mol_ID> (116)
3526

>  <Formula> (116)
C27H21NO5S

>  <MolWeight> (116)
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>  <Cat> (116)
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>  <Name> (116)
C188-9

>  <Synonyms> (116)
N/A

>  <Target> (116)
STAT3

>  <Form> (116)
free base

>  <CAS> (116)
432001-19-9

>  <URL> (116)
http://www.selleckchem.com/products/c188-9.html

$$$$
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 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> (117)
3557

>  <Formula> (117)
C29H35N7O

>  <MolWeight> (117)
497.6345

>  <Cat> (117)
S8557

>  <Name> (117)
IDO inhibitor 1

>  <Synonyms> (117)
N/A

>  <Target> (117)
IDO

>  <Form> (117)
free base

>  <CAS> (117)
1668565-74-9

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

$$$$
GO-203.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (118)
3595

>  <Formula> (118)
C89H171F3N52O21S2

>  <MolWeight> (118)
2426.7710496

>  <Cat> (118)
S8674

>  <Name> (118)
GO-203

>  <Synonyms> (118)
N/A

>  <Target> (118)
MUC-1C

>  <Form> (118)
trifluoroacetate

>  <CAS> (118)
1222186-26-6

>  <URL> (118)
http://www.selleckchem.com/products/go-203.html

$$$$
S5249 Coptisine chloride.cdx
csChFnd80/10272009262D

 25 29  0  0  0  0  0  0  0  0999 V2000
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    5.7918    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3669    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
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 19 20  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (119)
3660

>  <Formula> (119)
C19H14ClNO4

>  <MolWeight> (119)
355.77176

>  <Cat> (119)
S5249

>  <Name> (119)
Coptisine chloride

>  <Synonyms> (119)
Q-100696, NSC-119754

>  <Target> (119)
Others

>  <Form> (119)
chloride 

>  <CAS> (119)
6020-18-4

>  <URL> (119)
http://selleckchem.com/products/coptisine-chloride.html

$$$$
Cu-CPT22.cdx
csChFnd80/10272009262D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8355    7.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8355    5.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    4.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6183    7.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9399    7.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8593    0.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2402    1.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1305    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
  6 15  1  0  0  0  0
  5 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  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
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (120)
3715

>  <Formula> (120)
C19H22O7

>  <MolWeight> (120)
362.37378

>  <Cat> (120)
S8677

>  <Name> (120)
Cu-CPT22

>  <Synonyms> (120)
N/A

>  <Target> (120)
TLR

>  <Form> (120)
free base

>  <CAS> (120)
1416324-85-0

>  <URL> (120)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/10272009262D

 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
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 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> (121)
3743

>  <Formula> (121)
C10H16N5O8P

>  <MolWeight> (121)
365.236501

>  <Cat> (121)
S5284

>  <Name> (121)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (121)
5'-Adenylic acid, 5'-AMP

>  <Target> (121)
AMPK

>  <Form> (121)
hydrate 

>  <CAS> (121)
18422-05-4

>  <URL> (121)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
DCC-2618.cdx
csChFnd80/10272009262D

 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
    4.8205    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (122)
3826

>  <Formula> (122)
C26H21F2N5O3

>  <MolWeight> (122)
489.4734464

>  <Cat> (122)
S8721

>  <Name> (122)
DCC-2618

>  <Synonyms> (122)
N/A

>  <Target> (122)
c-Kit

>  <CAS> (122)
 1225278-16-9

>  <URL> (122)
http://selleckchem.com/products/dcc-2618.html

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (123)
3921

>  <Formula> (123)
C42H68O13

>  <MolWeight> (123)
780.98152

>  <Cat> (123)
S5454

>  <Name> (123)
Saikosaponin D

>  <Synonyms> (123)
N/A

>  <Target> (123)
ATPase

>  <Form> (123)
free base

>  <CAS> (123)
20874-52-6

>  <URL> (123)
http://selleckchem.com/products/saikosaponin-d.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (124)
4017

>  <Formula> (124)
C20H18O6

>  <MolWeight> (124)
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>  <Cat> (124)
S3934

>  <Name> (124)
Acetyl Resveratrol

>  <Synonyms> (124)
N/A

>  <Target> (124)
Sirt12

>  <Form> (124)
free base

>  <CAS> (124)
42206-94-0

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

$$$$
S5358 Regadenoson.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (125)
4039

>  <Formula> (125)
C15H18N8O5

>  <MolWeight> (125)
390.35402

>  <Cat> (125)
S5358

>  <Name> (125)
Regadenoson

>  <Synonyms> (125)
CVT-3146, Lexiscan

>  <Target> (125)
Adenosine Receptor

>  <Form> (125)
free base

>  <CAS> (125)
313348-27-5  

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

$$$$
BMS-986205.cdx
csChFnd80/10272009262D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (126)
4052

>  <Formula> (126)
C24H24ClFN2O

>  <MolWeight> (126)
410.9115632

>  <Cat> (126)
S8629

>  <Synonyms> (126)
N/A

>  <Target> (126)
IDO1

>  <Form> (126)
free base

>  <CAS> (126)
1923833-60-6

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

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/10272009262D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (127)
4286

>  <Formula> (127)
C29H39NO9

>  <MolWeight> (127)
545.62126

>  <Cat> (127)
S9015

>  <Name> (127)
Homoharringtonine

>  <CAS> (127)
26833-87-4

$$$$
S9100 Fraxinellone.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (128)
4348

>  <Formula> (128)
C14H16O3

>  <MolWeight> (128)
232.27504

>  <Cat> (128)
S9100

>  <Name> (128)
Fraxinellone

>  <Form> (128)
free base

>  <CAS> (128)
28808-62-0

$$$$
S9137 Erianin.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (129)
4378

>  <Formula> (129)
C18H22O5

>  <MolWeight> (129)
318.36428

>  <Cat> (129)
S9137

>  <Name> (129)
Erianin

>  <Form> (129)
free base

>  <CAS> (129)
95041-90-0

$$$$
S9234 Schaftoside.cdx
csChFnd80/10272009262D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (130)
4450

>  <Formula> (130)
C26H28O14

>  <MolWeight> (130)
564.49212

>  <Cat> (130)
S9234

>  <Name> (130)
Schaftoside

>  <CAS> (130)
51938-32-0

$$$$
S9240 Isofraxidin.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (131)
4454

>  <Formula> (131)
C11H10O5

>  <MolWeight> (131)
222.1941

>  <Cat> (131)
S9240

>  <Name> (131)
Isofraxidin

>  <Form> (131)
free base

>  <CAS> (131)
486-21-5

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/10272009262D

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M  END
>  <Mol_ID> (132)
4669

>  <Formula> (132)
C43H44ClFN4O11S3

>  <MolWeight> (132)
943.4760632

>  <Cat> (132)
S5241

>  <Name> (132)
Lapatinib ditosylate monohydrate

>  <Synonyms> (132)
Tykerb Ditosylate

>  <Target> (132)
Others

>  <Form> (132)
ditosylate monohydrate

>  <CAS> (132)
388082-78-8

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

$$$$

csChFnd80/10272009262D

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   10.0212    7.3466    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7368    7.8254    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1781    8.7253    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1212    3.7093    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.8937    5.8216    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  2  0  0  0  0
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 11 12  1  0  0  0  0
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  9 11  1  0  0  0  0
 10 18  1  0  0  0  0
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M  END
>  <Mol_ID> (133)
4817

>  <Formula> (133)
C17H10F9NO2

>  <MolWeight> (133)
431.2524288

>  <Cat> (133)
S5775

>  <Name> (133)
SR1078

>  <Synonyms> (133)
N/A

>  <Target> (133)
Others

>  <Form> (133)
Free Base

>  <CAS> (133)
1246525-60-9

>  <URL> (133)
http://www.selleckchem.com/products/sr1078.html

$$$$

csChFnd80/10272009262D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  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> (134)
4872

>  <Formula> (134)
C17H13ClN2O3

>  <MolWeight> (134)
328.74972

>  <Cat> (134)
S8813

>  <Name> (134)
LIT-927

>  <Synonyms> (134)
N/A

>  <Target> (134)
CXCR

>  <Form> (134)
Free Base

>  <CAS> (134)
2172879-52-4

>  <URL> (134)
http://www.selleckchem.com/products/lit-927.html

$$$$

csChFnd80/10272009262D

 34 37  0  0  0  0  0  0  0  0999 V2000
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 11 12  2  0  0  0  0
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 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
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 20 21  2  0  0  0  0
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 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 20 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 21  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
 33 34  3  0  0  0  0
M  END
>  <Mol_ID> (135)
5198

>  <Formula> (135)
C27H25N5O2

>  <MolWeight> (135)
451.5197

>  <Cat> (135)
S8755

>  <Name> (135)
AZ304

>  <Synonyms> (135)
N/A

>  <Target> (135)
Raf

>  <Form> (135)
free base

>  <CAS> (135)
942507-42-8

>  <URL> (135)
http://www.selleck.cn/products/az304.html

$$$$

csChFnd80/10272009262D

  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
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (136)
5249

>  <Formula> (136)
C5H11NO2

>  <MolWeight> (136)
117.14634

>  <Cat> (136)
S6334

>  <Name> (136)
DL-Norvaline

>  <Synonyms> (136)
2-Aminopentanoic acid, H-DL-Nva-OH, 2-Aminovaleric acid, ¦Á-Aminopentanoic acid

>  <Target> (136)
Others

>  <Form> (136)
free base

>  <CAS> (136)
760-78-1

>  <URL> (136)
http://www.selleck.cn/products/dl-norvaline.html

$$$$

csChFnd80/10272009262D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    4.2000    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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  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> (137)
5277

>  <Formula> (137)
C13H8Cl2N2O4

>  <MolWeight> (137)
327.11962

>  <Cat> (137)
S3030

>  <Name> (137)
Niclosamide

>  <Synonyms> (137)
Niclocide

>  <Target> (137)
STAT

>  <Form> (137)
Free Base

>  <CAS> (137)
50-65-7

>  <URL> (137)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

csChFnd80/10272009262D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
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 12 14  3  0  0  0  0
M  END
>  <Mol_ID> (138)
6661

>  <Formula> (138)
C9H5ClN4

>  <MolWeight> (138)
204.6158

>  <Cat> (138)
S6494

>  <Name> (138)
CCCP

>  <Synonyms> (138)
Carbonyl cyanide m-chlorophenyl hydrazone

>  <Target> (138)
Others

>  <Form> (138)
free base

>  <CAS> (138)
555-60-2

>  <URL> (138)
http://www.selleck.cn/products/cccp.html

$$$$

csChFnd80/10272009262D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (139)
6703

>  <Formula> (139)
C11H9Cl2N3O3S

>  <MolWeight> (139)
334.17846

>  <Cat> (139)
S6555

>  <Name> (139)
AZD2098

>  <Synonyms> (139)
N/A

>  <Target> (139)
CCR

>  <Form> (139)
free base

>  <CAS> (139)
566203-88-1

>  <URL> (139)
http://www.selleck.cn/products/azd2098.html

$$$$

csChFnd80/10272009262D

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  8  9  2  0  0  0  0
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 10 12  2  0  0  0  0
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M  END
>  <Mol_ID> (140)
6712

>  <Formula> (140)
C20H22O6

>  <MolWeight> (140)
358.38508

>  <Cat> (140)
S6573

>  <Name> (140)
MD2-IN-1

>  <Synonyms> (140)
N/A

>  <Target> (140)
Others

>  <Form> (140)
free base

>  <CAS> (140)
111797-22-9

>  <URL> (140)
http://www.selleck.cn/products/md2-in-1.html

$$$$

csChFnd80/10272009262D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (141)
6714

>  <Formula> (141)
C11H7IN2O4

>  <MolWeight> (141)
358.08875

>  <Cat> (141)
S6575

>  <Name> (141)
C-176 STING inhibitor

>  <Synonyms> (141)
N/A

>  <Target> (141)
Others

>  <Form> (141)
free base

>  <CAS> (141)
314054-00-7

>  <URL> (141)
http://www.selleck.cn/products/c-176-sting-inhibitor.html

$$$$

csChFnd80/10272009262D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (142)
6727

>  <Formula> (142)
C25H35NO5S

>  <MolWeight> (142)
461.6141

>  <Cat> (142)
S6610

>  <Name> (142)
GSK2981278

>  <Synonyms> (142)
N/A

>  <Target> (142)
Others

>  <Form> (142)
free base

>  <CAS> (142)
1474110-21-8

>  <URL> (142)
http://www.selleck.cn/products/gsk2981278.html

$$$$

csChFnd80/10272009262D

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897657-95-3

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N/A

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CXCR

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954126-98-8

>  <URL> (145)
http://www.selleck.cn/products/danirixin.html

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878385-84-3

>  <URL> (146)
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>  <URL> (147)
http://www.selleck.cn/products/cpi-444.html

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473727-83-2

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  6  9  1  0  0  0  0
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  6 17  1  0  0  0  0
  7 11  1  0  0  0  0
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  7 18  1  0  0  0  0
  8 30  1  0  0  0  0
  8 33  2  0  0  0  0
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 28  2  0  0  0  0
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 25 27  1  0  0  0  0
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 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
 31 35  1  0  0  0  0
M  END
>  <Mol_ID> (152)
6875

>  <Formula> (152)
C27H37Cl2N3O3

>  <MolWeight> (152)
522.50698

>  <Cat> (152)
S6719

>  <Name> (152)
E6446 (dihydrochloride)

>  <Synonyms> (152)
N/A

>  <Target> (152)
TLR

>  <Form> (152)
Dihydrochloride

>  <CAS> (152)
1345675-25-3

>  <URL> (152)
http://www.selleck.cn/products/e6446.html

$$$$

csChFnd80/10272009262D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    7.6195    7.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6704    8.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7  8  2  0  0  0  0
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 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (153)
6895

>  <Formula> (153)
C17H17N3O

>  <MolWeight> (153)
279.33638

>  <Cat> (153)
S6652

>  <Name> (153)
H-151

>  <Synonyms> (153)
N/A

>  <Target> (153)
STING

>  <Form> (153)
Free Base

>  <CAS> (153)
941987-60-6

>  <URL> (153)
http://www.selleck.cn/products/h-151.html

$$$$

csChFnd80/10272009262D

 24 27  0  0  0  0  0  0  0  0999 V2000
    2.7847    3.6906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4573    3.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9659    1.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6093    5.4152    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.3558    3.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7864    4.2826    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    2.7847    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    3.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 23  1  0  0  0  0
  3 20  2  0  0  0  0
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  6 14  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
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 16 18  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (154)
6906

>  <Formula> (154)
C17H10N2O5

>  <MolWeight> (154)
322.2717

>  <Cat> (154)
S6667

>  <Name> (154)
C-178

>  <Synonyms> (154)
N/A

>  <Target> (154)
STING

>  <Form> (154)
Free Base

>  <CAS> (154)
329198-87-0

>  <URL> (154)
http://www.selleck.cn/products/c-178.html

$$$$

csChFnd80/10272009262D

 32 34  0  0  0  0  0  0  0  0999 V2000
   14.5489    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    4.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    6.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5490    7.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    4.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5490    8.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    9.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0615   10.3127    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9739    9.8003    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.4615    7.8878    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  1  6  2  0  0  0  0
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  8 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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 14 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 23 24  1  0  0  0  0
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 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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 26 29  1  0  0  0  0
 21 23  1  0  0  0  0
 17 20  1  0  0  0  0
 13 14  1  0  0  0  0
 12 13  1  0  0  0  0
  2 12  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
  1 30  1  0  0  0  0
M  END
>  <Mol_ID> (155)
6982

>  <Formula> (155)
C19H14BF4N3O4S

>  <MolWeight> (155)
467.2017728

>  <Cat> (155)
S8947

>  <Name> (155)
SX-682

>  <Synonyms> (155)
N/A

>  <Target> (155)
CXCR

>  <Form> (155)
Free Base

>  <CAS> (155)
1648843-04-2

>  <URL> (155)
http://www.selleckchem.com/products/sx-682.html

$$$$

csChFnd80/10272009262D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  1 20  1  0  0  0  0
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  2 14  1  0  0  0  0
  3 21  1  0  0  0  0
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  5 19  2  0  0  0  0
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  7  9  1  0  0  0  0
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  9 11  2  0  0  0  0
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 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  2  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 18  1  0  0  0  0
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 21 24  1  0  0  0  0
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 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
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M  END
>  <Mol_ID> (156)
7042

>  <Formula> (156)
C21H16ClFN2O3S

>  <MolWeight> (156)
430.8797432

>  <Cat> (156)
S8954

>  <Name> (156)
STING agonist-1 (G10)

>  <Synonyms> (156)
N/A

>  <Target> (156)
STING

>  <Form> (156)
Free Base

>  <CAS> (156)
702662-50-8

>  <URL> (156)
http://www.selleckchem.com/products/sting-agonist-1-g10.html

$$$$

csChFnd80/10272009262D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (157)
7050

>  <Formula> (157)
C18H18N2O5

>  <MolWeight> (157)
342.34592

>  <Cat> (157)
S0129

>  <Name> (157)
SB-297006

>  <Synonyms> (157)
N/A

>  <Target> (157)
CCR

>  <Form> (157)
Free Base

>  <CAS> (157)
58816-69-6

>  <URL> (157)
http://www.selleckchem.com/products/sb297006.html

$$$$

csChFnd80/10272009262D

 34 37  0  0  0  0  0  0  0  0999 V2000
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  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
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  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
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  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
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 22 28  2  0  0  0  0
 25 26  1  0  0  0  0
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 32 33  1  0  0  0  0
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>  <Mol_ID> (158)
7073

>  <Formula> (158)
C24H28N6O3S

>  <MolWeight> (158)
480.58252

>  <Cat> (158)
S0487

>  <Name> (158)
Sulfatinib

>  <Synonyms> (158)
HMPL-012, Sufatinib, Surfatinib

>  <Target> (158)
CSF-1R

>  <Form> (158)
Free Base

>  <CAS> (158)
1308672-74-3

>  <URL> (158)
http://www.selleckchem.com/products/sulfatinib.html

$$$$

csChFnd80/10272009262D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    0.0000    5.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 10  1  0  0  0  0
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  6  7  1  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  3  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
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 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (159)
7092

>  <Formula> (159)
C18H14N2O3

>  <MolWeight> (159)
306.31536

>  <Cat> (159)
S6805

>  <Name> (159)
Tyrphostin AG-528

>  <Synonyms> (159)
Tyrphostin B66, AG 528

>  <Target> (159)
EGFR

>  <Form> (159)
Free Base

>  <CAS> (159)
133550-49-9

>  <URL> (159)
http://www.selleckchem.com/products/tyrphostin-ag-528.html

$$$$

csChFnd80/10272009262D

 34 37  0  0  0  0  0  0  0  0999 V2000
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    0.0000    4.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 26 29  2  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (160)
7106

>  <Formula> (160)
C24H24N4O5S

>  <MolWeight> (160)
480.53616

>  <Cat> (160)
S7688

>  <Name> (160)
Ki20227

>  <Synonyms> (160)
KI-20227

>  <Target> (160)
CSF-1R

>  <Form> (160)
Free Base

>  <CAS> (160)
623142-96-1

>  <URL> (160)
http://www.selleckchem.com/products/ki20227.html

$$$$

csChFnd80/10272009262D

 35 38  0  0  0  0  0  0  0  0999 V2000
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 11  3  1  1  0  0  0
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7129

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>  <MolWeight> (161)
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>  <Target> (161)
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1286279-29-5

>  <URL> (161)
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csChFnd80/10272009262D

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7131

>  <Formula> (162)
C16H10ClF6NO2

>  <MolWeight> (162)
397.6995192

>  <Cat> (162)
S0094

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>  <Target> (162)
ROR

>  <Form> (162)
free base

>  <CAS> (162)
303126-97-8

>  <URL> (162)
http://www.selleckchem.com/products/sr0987.html

$$$$

csChFnd80/10272009262D

 30 32  0  0  0  0  0  0  0  0999 V2000
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7171

>  <Formula> (163)
C21H13ClF3N3O2

>  <MolWeight> (163)
431.7950296

>  <Cat> (163)
S0445

>  <Name> (163)
SC-43

>  <Target> (163)
phosphatase

>  <Form> (163)
free base

>  <CAS> (163)
1400989-25-4

>  <URL> (163)
http://www.selleckchem.com/products/sc-43.html

$$$$

csChFnd80/10272009262D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (164)
7187

>  <Formula> (164)
C17H17N3O

>  <MolWeight> (164)
279.33638

>  <Cat> (164)
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>  <Target> (164)
NADPH-oxidase

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free base

>  <CAS> (164)
1270084-92-8

>  <URL> (164)
http://www.selleckchem.com/products/apx-115-free-base.html

$$$$

csChFnd80/10272009262D

 35 37  0  0  0  0  0  0  0  0999 V2000
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C28H29NO6

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STAT3-IN-1

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STAT

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>  <CAS> (165)
2059952-75-7

>  <URL> (165)
http://www.selleckchem.com/products/stat3-in-1.html

$$$$

csChFnd80/10272009262D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (166)
7193

>  <Formula> (166)
C15H8F2LiN5O3

>  <MolWeight> (166)
351.1935264

>  <Cat> (166)
S0853

>  <Name> (166)
SR-717?lithium

>  <Target> (166)
STING

>  <Form> (166)
free base

>  <CAS> (166)
2375421-09-1

>  <URL> (166)
http://www.selleckchem.com/products/sr-717.html

$$$$

csChFnd80/10272009262D

 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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M  END
>  <Mol_ID> (167)
7197

>  <Formula> (167)
C30H48O7

>  <MolWeight> (167)
520.69792

>  <Cat> (167)
S0949

>  <Name> (167)
Cucurbitacin IIb

>  <Target> (167)
STAT

>  <Form> (167)
free base

>  <CAS> (167)
50298-90-3

>  <URL> (167)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/10272009262D

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M  END
>  <Mol_ID> (168)
7207

>  <Formula> (168)
C10H14O

>  <MolWeight> (168)
150.21756

>  <Cat> (168)
S3205

>  <Name> (168)
Perillaldehyde

>  <Target> (168)
AhR

>  <Form> (168)
free base

>  <CAS> (168)
18031-40-8

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

$$$$

csChFnd80/10272009262D

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M  END
>  <Mol_ID> (169)
7251

>  <Formula> (169)
C27H30O15

>  <MolWeight> (169)
594.5181

>  <Cat> (169)
S3267

>  <Name> (169)
Kaempferol-3-O-rutinoside

>  <Target> (169)
Apoptosis related

>  <Form> (169)
free base

>  <CAS> (169)
17650-84-9

>  <URL> (169)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/10272009262D

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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (170)
7272

>  <Formula> (170)
C17H24O2

>  <MolWeight> (170)
260.37126

>  <Cat> (170)
S3292

>  <Name> (170)
Falcarindiol

>  <Target> (170)
NOS

>  <Form> (170)
free base

>  <CAS> (170)
225110-25-8

>  <URL> (170)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/10272009262D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (171)
7293

>  <Formula> (171)
C16H15NO4

>  <MolWeight> (171)
285.2946

>  <Cat> (171)
S6597

>  <Name> (171)
TLR2-IN-C29

>  <Target> (171)
TLR

>  <Form> (171)
free base

>  <CAS> (171)
363600-92-4

>  <URL> (171)
http://www.selleckchem.com/products/tlr2-in-c29.html

$$$$

csChFnd80/10272009262D

 37 42  0  0  0  0  0  0  0  0999 V2000
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 12  6  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 13  2  0  0  0  0
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 25 20  1  0  0  0  0
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>  <Mol_ID> (172)
7329

>  <Formula> (172)
C25H29N9O3

>  <MolWeight> (172)
503.55626

>  <Cat> (172)
S6910

>  <Name> (172)
Preladenant

>  <Target> (172)
Adenosine Receptor

>  <Form> (172)
free base

>  <CAS> (172)
377727-87-2

>  <URL> (172)
http://www.selleckchem.com/products/preladenant.html

$$$$

csChFnd80/10272009262D

 50 54  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (173)
7336

>  <Formula> (173)
C41H52N4O4S

>  <MolWeight> (173)
696.94098

>  <Cat> (173)
S8512

>  <Name> (173)
Cenicriviroc

>  <Target> (173)
CCR

>  <Form> (173)
free base

>  <CAS> (173)
497223-25-3

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

$$$$

csChFnd80/10272009262D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  1  9  1  0  0  0  0
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M  END
>  <Mol_ID> (174)
7362

>  <Formula> (174)
C15H11FN2

>  <MolWeight> (174)
238.2596432

>  <Cat> (174)
S8997

>  <Name> (174)
680C91

>  <Target> (174)
IDO/TDO

>  <Form> (174)
free base

>  <CAS> (174)
163239-22-3

>  <URL> (174)
http://www.selleckchem.com/products/680c91.html

$$$$

csChFnd80/10272009262D

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M  END
>  <Mol_ID> (175)
7367

>  <Formula> (175)
C35H34N2O7

>  <MolWeight> (175)
594.65366

>  <Cat> (175)
S9610

>  <Name> (175)
BMS-1001

>  <Target> (175)
PD-1/PD-L1

>  <Form> (175)
free base

>  <CAS> (175)
2113650-03-4

>  <URL> (175)
http://www.selleckchem.com/products/bms-1001.html

$$$$

csChFnd80/10272009262D

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M  END
>  <Mol_ID> (176)
7379

>  <Formula> (176)
C97H144FN33O19S2

>  <MolWeight> (176)
2159.5193632

>  <Cat> (176)
S9665

>  <Name> (176)
Motixafortide (BL-8040)

>  <Target> (176)
CXCR

>  <Form> (176)
free base

>  <CAS> (176)
664334-36-5

>  <URL> (176)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$
