untitled.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (1)
2

>  <Formula> (1)
C21H18FN5O

>  <MolWeight> (1)
375.3989232

>  <Cat> (1)
S1003

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

>  <Synonyms> (1)
AL39324,RG3635

>  <Target> (1)
Apoptosis related,Autophagy,CSF-1R,FLT3,PDGFR,VEGFR

>  <Form> (1)
free base

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

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

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (2)
17

>  <Formula> (2)
C43H42ClFN4O10S3

>  <MolWeight> (2)
925.4607832

>  <Cat> (2)
S1028

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

>  <Synonyms> (2)
GW-572016

>  <Target> (2)
EGFR,HER2

>  <Form> (2)
Ditosylat

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

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

$$$$
untitled.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (3)
22

>  <Formula> (3)
C21H24ClN7O2S

>  <MolWeight> (3)
473.97896

>  <Cat> (3)
S1035

>  <Name> (3)
Pazopanib HCl (GW786034 HCl)

>  <Synonyms> (3)
GW786034 HCl

>  <Target> (3)
Autophagy,c-Kit,CSF-1R,FGFR,PDGFR,VEGFR

>  <Form> (3)
Hydrochloride

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

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

$$$$
untitled.cdx
csChFnd80/04082409142D

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C22H16N4O3

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>  <Synonyms> (4)
N/A

>  <Target> (4)
TGF-beta/Smad

>  <Form> (4)
free base

>  <CAS> (4)
301836-41-9

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

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S31-201.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (5)
94

>  <Formula> (5)
C16H15NO7S

>  <MolWeight> (5)
365.3578

>  <Cat> (5)
S1155

>  <Name> (5)
S3I-201

>  <Synonyms> (5)
NSC 74859

>  <Target> (5)
STAT

>  <Form> (5)
free base

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

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

$$$$
CP-724,714.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (6)
97

>  <Formula> (6)
C27H27N5O3

>  <MolWeight> (6)
469.53498

>  <Cat> (6)
S1167

>  <Name> (6)
CP-724714

>  <Synonyms> (6)
N/A

>  <Target> (6)
EGFR,HER2

>  <Form> (6)
free base

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

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

$$$$
ENMD-2076.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (7)
109

>  <Formula> (7)
C21H25N7

>  <MolWeight> (7)
375.4701

>  <Cat> (7)
S1181

>  <Name> (7)
ENMD-2076

>  <Synonyms> (7)
N/A

>  <Target> (7)
Apoptosis related,Aurora Kinase,CSF-1R,FGFR,FLT3,PDGFR,Src,VEGFR

>  <Form> (7)
Tartaric Acid

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

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

$$$$
Aprepitant.cdx
csChFnd80/04082409142D

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  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (8)
114

>  <Formula> (8)
C23H21F7N4O3

>  <MolWeight> (8)
534.4266624

>  <Cat> (8)
S1189

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

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

>  <Target> (8)
CSF-1R,HIV,Interleukins,Neurokinin Receptor,TNF-alpha

>  <Form> (8)
free base

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

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

$$$$
S119401 CUDC-101.cdx
csChFnd80/04082409142D

 32 34  0  0  0  0  0  0  0  0999 V2000
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   15.7238    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (9)
118

>  <Formula> (9)
C24H26N4O4

>  <MolWeight> (9)
434.48764

>  <Cat> (9)
S1194

>  <Name> (9)
CUDC-101

>  <Synonyms> (9)
N/A

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

>  <Form> (9)
free base

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

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

$$$$
OSI-930.cdx
csChFnd80/04082409142D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (10)
130

>  <Formula> (10)
C22H16F3N3O2S

>  <MolWeight> (10)
443.4415496

>  <Cat> (10)
S1220

>  <Name> (10)
OSI-930

>  <Synonyms> (10)
N/A

>  <Target> (10)
c-Kit,CSF-1R,VEGFR

>  <Form> (10)
free base

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

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

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/04082409142D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0  0  0  0
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 16 12  1  0  0  0  0
 12  7  1  6  0  0  0
 15 17  1  6  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 14 24  1  1  0  0  0
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 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (11)
136

>  <Formula> (11)
C10H13FN5O7P

>  <MolWeight> (11)
365.2116842

>  <Cat> (11)
S1229

>  <Name> (11)
Fludarabine Phosphate

>  <Synonyms> (11)
F-ara-A (NSC 312887) Phosphate

>  <Target> (11)
DNA/RNA Synthesis

>  <Form> (11)
Phosphate

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

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

$$$$
resveratrol.cdx
csChFnd80/04082409142D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.3476    3.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (12)
248

>  <Formula> (12)
C14H12O3

>  <MolWeight> (12)
228.24328

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Resveratrol (SRT501)

>  <Synonyms> (12)
trans-Resveratrol,SRT501

>  <Target> (12)
AMPK,Apoptosis related,Autophagy,COX,ERK,I¦ÊB/IKK,JNK,Lipoxygenase,Mitophagy,Sirtuin,Src,STAT

>  <Form> (12)
free base

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

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

$$$$
SB525334.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (13)
293

>  <Formula> (13)
C21H21N5

>  <MolWeight> (13)
343.42494

>  <Cat> (13)
S1476

>  <Name> (13)
SB525334

>  <Synonyms> (13)
N/A

>  <Target> (13)
TGF-beta/Smad

>  <Form> (13)
free base

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

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

$$$$
AEE-788.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (14)
300

>  <Formula> (14)
C27H32N6

>  <MolWeight> (14)
440.58318

>  <Cat> (14)
S1486

>  <Name> (14)
AEE788 (NVP-AEE788)

>  <Synonyms> (14)
N/A

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

>  <Form> (14)
free base

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

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

$$$$
Fludarabine.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (15)
305

>  <Formula> (15)
C10H12FN5O4

>  <MolWeight> (15)
285.2317832

>  <Cat> (15)
S1491

>  <Name> (15)
Fludarabine (NSC 118218)

>  <Synonyms> (15)
FaraA, Fludarabinum, NSC 118218

>  <Target> (15)
Apoptosis related,DNA/RNA Synthesis,Nucleoside Analog/Antimetabolite,STAT

>  <Form> (15)
Free Base

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

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

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/04082409142D

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>  <Mol_ID> (16)
308

>  <Formula> (16)
C10H14N4O4

>  <MolWeight> (16)
254.24256

>  <Cat> (16)
S1504

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Dyphylline

>  <Synonyms> (16)
Diprophylline

>  <Target> (16)
PDE

>  <Form> (16)
free base

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

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

$$$$
DMXAA.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (17)
328

>  <Formula> (17)
C17H14O4

>  <MolWeight> (17)
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>  <Cat> (17)
S1537

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Vadimezan (ASA404)

>  <Synonyms> (17)
NSC 640488, DMXAA

>  <Target> (17)
Antiviral,IFN,STING,TNF-alpha,VDA

>  <Form> (17)
free base

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

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

$$$$
Artesunate.cdx
csChFnd80/04082409142D

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.5918    3.4838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2242    3.1843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7998    1.8501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7430    0.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1106    1.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5350    2.4491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2103    4.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6140    6.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2519    6.3299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1497    5.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1374    4.0667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9903    3.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9026    2.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7698    3.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3454    2.4331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2886    1.3985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7352    0.4516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2589    4.1274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9535    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9586    4.8220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9778    2.1336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6102    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1873    0.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6703    2.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3027    2.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    4.9261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
  1 12  1  6  0  0  0
  6 13  1  6  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
  3 17  1  6  0  0  0
  9 18  1  0  0  0  0
  2 19  1  6  0  0  0
 18 19  1  0  0  0  0
  9 20  1  1  0  0  0
 11 21  1  1  0  0  0
 16 22  1  1  0  0  0
 15 23  1  1  0  0  0
 23 24  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (18)
387

>  <Formula> (18)
C19H28O8

>  <MolWeight> (18)
384.42082

>  <Cat> (18)
S2265

>  <Name> (18)
Artesunate (WR-256283)

>  <Synonyms> (18)
WR-256283

>  <Target> (18)
ADC Cytotoxin,STAT

>  <Form> (18)
free base

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

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

$$$$
AMINOPHYLLINE (aminophylline).cdx
csChFnd80/04082409142D

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.7540    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1747    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3829    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    7.3257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    9.4230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    7.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    6.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    9.1559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    8.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    6.8937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    6.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    9.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210   10.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    5.2285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    0.3349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    1.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    2.4322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    1.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210   -0.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    2.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    1.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805   -0.0971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427   -0.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    2.4322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    3.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210   -1.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  5 14  1  0  0  0  0
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  7 16  1  0  0  0  0
 10 17  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
 18 27  1  0  0  0  0
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 20 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (19)
402

>  <Formula> (19)
C16H24N10O4

>  <MolWeight> (19)
420.42636

>  <Cat> (19)
S1673

>  <Name> (19)
Aminophylline

>  <Synonyms> (19)
Phyllocontin

>  <Target> (19)
PDE

>  <Form> (19)
Ethylenediamine

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

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

$$$$
untitled.cdx
csChFnd80/04082409142D

 37 41  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.1851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.5802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    6.5802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   10.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   12.8252    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7872   12.8252    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0395    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4493    2.3900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0395    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4493    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4358    3.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0295    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7834    3.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1774    3.0717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0454    1.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3583    2.4592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3583    3.8580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0454    4.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6681    0.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6001    5.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2324    5.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5224    6.6055    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
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 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 11 22  1  0  0  0  0
 23 11  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 29  1  0  0  0  0
 30 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (20)
493

>  <Formula> (20)
C29H41F2N5O

>  <MolWeight> (20)
513.6655464

>  <Cat> (20)
S2003

>  <Name> (20)
Maraviroc (UK-427857)

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

>  <Target> (20)
CCR,HIV

>  <Form> (20)
free base

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

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

$$$$
Arry-380.cdx
csChFnd80/04082409142D

 41 46  0  0  0  0  0  0  0  0999 V2000
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   12.6000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9834    6.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2624    6.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4087    8.3273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4224   10.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7014   11.1119    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.1320   12.3909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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free base

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937265-83-3

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TGF-beta/Smad

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free base

>  <CAS> (22)
452342-67-5

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

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231277-92-2

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free base

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694433-59-5

>  <URL> (24)
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 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
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 26 12  1  0  0  0  0
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 31 32  2  0  0  0  0
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M  END
>  <Mol_ID> (25)
582

>  <Formula> (25)
C26H25ClF3N5O3

>  <MolWeight> (25)
547.9566096

>  <Cat> (25)
S2784

>  <Name> (25)
TAK-285

>  <Synonyms> (25)
N/A

>  <Target> (25)
EGFR,HER2

>  <Form> (25)
free base

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

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

$$$$
Istradefylline (KW-6002).cdx
csChFnd80/04082409142D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.3416    1.5320    0.0000 N   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
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  1 12  1  0  0  0  0
 13 14  1  0  0  0  0
  5 13  1  0  0  0  0
 15 16  1  0  0  0  0
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M  END
>  <Mol_ID> (26)
586

>  <Formula> (26)
C20H24N4O4

>  <MolWeight> (26)
384.42896

>  <Cat> (26)
S2790

>  <Name> (26)
Istradefylline

>  <Synonyms> (26)
KW-6002

>  <Target> (26)
Adenosine Receptor

>  <Form> (26)
free base

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

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

$$$$
Bindarit.cdx
csChFnd80/04082409142D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.5483    1.5387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
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 11 16  2  0  0  0  0
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M  END
>  <Mol_ID> (27)
602

>  <Formula> (27)
C19H20N2O3

>  <MolWeight> (27)
324.3737

>  <Cat> (27)
S3032

>  <Name> (27)
Bindarit (AF?2838)

>  <Synonyms> (27)
AF 2838

>  <Target> (27)
CCR,Immunology & Inflammation related

>  <Form> (27)
free base

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

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

$$$$
Palmatine hydrochloride.cdx
csChFnd80/04082409142D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (28)
624

>  <Formula> (28)
C21H22ClNO4

>  <MolWeight> (28)
387.85668

>  <Cat> (28)
S2397

>  <Name> (28)
Palmatine chloride

>  <Synonyms> (28)
N/A

>  <Target> (28)
Calcium Channel

>  <Form> (28)
Chloride

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

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

$$$$
AZD8931.cdx
csChFnd80/04082409142D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (29)
665

>  <Formula> (29)
C23H25ClFN5O3

>  <MolWeight> (29)
473.9277032

>  <Cat> (29)
S2192

>  <Name> (29)
Sapitinib (AZD8931)

>  <Synonyms> (29)
N/A

>  <Target> (29)
EGFR,HER2

>  <Form> (29)
free base

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

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

$$$$
Mubritinib.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (30)
677

>  <Formula> (30)
C25H23F3N4O2

>  <MolWeight> (30)
468.4709296

>  <Cat> (30)
S2216

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

>  <Synonyms> (30)
N/A

>  <Target> (30)
HER2

>  <Form> (30)
free base

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

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

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/04082409142D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    7.6854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2578    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
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  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
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M  END
>  <Mol_ID> (31)
682

>  <Formula> (31)
C22H18O11

>  <MolWeight> (31)
458.37172

>  <Cat> (31)
S2250

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

>  <Synonyms> (31)
EGCG

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

>  <Form> (31)
free base

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

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

$$$$
Cryptotanshinone.cdx
csChFnd80/04082409142D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
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 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (32)
705

>  <Formula> (32)
C19H20O3

>  <MolWeight> (32)
296.3603

>  <Cat> (32)
S2285

>  <Name> (32)
Cryptotanshinone

>  <Synonyms> (32)
Tanshinone C

>  <Target> (32)
Apoptosis related,Autophagy,STAT

>  <Form> (32)
free base

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

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

$$$$
Hesperetin.cdx
csChFnd80/04082409142D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 16 11  1  0  0  0  0
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  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (33)
722

>  <Formula> (33)
C16H14O6

>  <MolWeight> (33)
302.27876

>  <Cat> (33)
S2308

>  <Name> (33)
Hesperetin

>  <Synonyms> (33)
N/A

>  <Target> (33)
Histamine Receptor,TGF-beta/Smad

>  <Form> (33)
free base

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

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

$$$$
Nobiletin.cdx
csChFnd80/04082409142D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (34)
741

>  <Formula> (34)
C21H22O8

>  <MolWeight> (34)
402.39458

>  <Cat> (34)
S2333

>  <Name> (34)
Nobiletin (NSC 76751)

>  <Synonyms> (34)
Hexamethoxyflavone

>  <Target> (34)
MMP

>  <Form> (34)
free base

>  <CAS> (34)
478-01-3

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

$$$$
LY2157299.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (35)
858

>  <Formula> (35)
C22H19N5O

>  <MolWeight> (35)
369.41916

>  <Cat> (35)
S2230

>  <Name> (35)
Galunisertib (LY2157299)

>  <Synonyms> (35)
N/A

>  <Target> (35)
TGF-beta/Smad

>  <Form> (35)
free base

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

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

$$$$
937174-76-0.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (36)
891

>  <Formula> (36)
C21H27N7O3

>  <MolWeight> (36)
425.48418

>  <Cat> (36)
S1113

>  <Name> (36)
GSK690693

>  <Synonyms> (36)
N/A

>  <Target> (36)
Akt,AMPK,Autophagy,DAPK,PKA,PKC,STING,ULK

>  <Form> (36)
free base

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

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

$$$$
PF299804.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (37)
931

>  <Formula> (37)
C24H25ClFN5O2

>  <MolWeight> (37)
469.9390032

>  <Cat> (37)
S2727

>  <Name> (37)
Dacomitinib (PF-00299804)

>  <Synonyms> (37)
PF299804,PF299

>  <Target> (37)
Apoptosis related,EGFR,HER2

>  <Form> (37)
free base

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

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

$$$$
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   10.2099    2.6856    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (38)
1024

>  <Formula> (38)
C12H10FN3O2S

>  <MolWeight> (38)
279.2901032

>  <Cat> (38)
S2824

>  <Name> (38)
TPCA-1

>  <Synonyms> (38)
GW683965

>  <Target> (38)
Apoptosis related,I¦ÊB/IKK,NF-¦ÊB,STAT

>  <Form> (38)
free base

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

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

$$$$
WHI-P154.cdx
csChFnd80/04082409142D

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   10.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (39)
1074

>  <Formula> (39)
C16H14BrN3O3

>  <MolWeight> (39)
376.20466

>  <Cat> (39)
S2867

>  <Name> (39)
WHI-P154

>  <Synonyms> (39)
N/A

>  <Target> (39)
EGFR,JAK

>  <Form> (39)
free base

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

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

$$$$
Inosine.cdx
csChFnd80/04082409142D

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    1.2295    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (40)
1083

>  <Formula> (40)
C10H12N4O5

>  <MolWeight> (40)
268.22608

>  <Cat> (40)
S2442

>  <Name> (40)
Inosine

>  <Synonyms> (40)
NSC 20262, INO 495

>  <Target> (40)
Others

>  <Form> (40)
free base

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

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

$$$$
Pirfenidone.cdx
csChFnd80/04082409142D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (41)
1109

>  <Formula> (41)
C12H11NO

>  <MolWeight> (41)
185.22184

>  <Cat> (41)
S2907

>  <Name> (41)
Pirfenidone (S-7701)

>  <Synonyms> (41)
AMR-69

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

>  <Form> (41)
free base

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

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

$$$$
PF477736.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (42)
1136

>  <Formula> (42)
C22H25N7O2

>  <MolWeight> (42)
419.4796

>  <Cat> (42)
S2904

>  <Name> (42)
PF-477736

>  <Synonyms> (42)
PF-736, PF-00477736

>  <Target> (42)
Chk

>  <Form> (42)
free base

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

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

$$$$
WZ 811.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (43)
1144

>  <Formula> (43)
C18H18N4

>  <MolWeight> (43)
290.36232

>  <Cat> (43)
S2912

>  <Name> (43)
WZ811

>  <Synonyms> (43)
N/A

>  <Target> (43)
CXCR

>  <Form> (43)
free base

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

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

$$$$
MICROSUL (sulfamethizole).cdx
csChFnd80/04082409142D

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>  <Mol_ID> (44)
1167

>  <Formula> (44)
C9H10N4O2S2

>  <MolWeight> (44)
270.3313

>  <Cat> (44)
S1957

>  <Name> (44)
Sulfamethizole

>  <Synonyms> (44)
N/A

>  <Target> (44)
Bacterial

>  <Form> (44)
free base

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

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

$$$$
Pazopanib.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (45)
1216

>  <Formula> (45)
C21H23N7O2S

>  <MolWeight> (45)
437.51802

>  <Cat> (45)
S3012

>  <Name> (45)
Pazopanib

>  <Synonyms> (45)
GW786034

>  <Target> (45)
Autophagy,Cathepsin B,c-Kit,CSF-1R,Cysteine Protease,FGFR,PDGFR,VEGFR

>  <Form> (45)
Free Base

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

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

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/04082409142D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (46)
1223

>  <Formula> (46)
C18H14N4O5S

>  <MolWeight> (46)
398.39256

>  <Cat> (46)
S1576

>  <Name> (46)
Sulfasalazine (NSC 667219)

>  <Synonyms> (46)
Azulfidine, Salazopyrin, Sulphasalazine, NSC 667219

>  <Target> (46)
Apoptosis related,Autophagy,COX,Ferroptosis,Immunology & Inflammation related,NF-¦ÊB,TGF-beta/Smad

>  <Form> (46)
free base

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

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

$$$$
CGS-21680 hydrochloride.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (47)
1230

>  <Formula> (47)
C23H30ClN7O6

>  <MolWeight> (47)
535.9806

>  <Cat> (47)
S2153

>  <Name> (47)
CGS 21680 HCl

>  <Synonyms> (47)
N/A

>  <Target> (47)
Adenosine Receptor

>  <Form> (47)
Hydrochloride

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

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

$$$$
Doxofylline.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (48)
1342

>  <Formula> (48)
C11H14N4O4

>  <MolWeight> (48)
266.25326

>  <Cat> (48)
S4164

>  <Name> (48)
Doxofylline

>  <Synonyms> (48)
Doxophylline

>  <Target> (48)
PDE

>  <Form> (48)
free base

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

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

$$$$
nifuroxazide.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (49)
1347

>  <Formula> (49)
C12H9N3O5

>  <MolWeight> (49)
275.21696

>  <Cat> (49)
S4182

>  <Name> (49)
Nifuroxazide

>  <Synonyms> (49)
N/A

>  <Target> (49)
STAT

>  <Form> (49)
free base

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

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

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/04082409142D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (50)
1429

>  <Formula> (50)
C11H12N4O3S

>  <MolWeight> (50)
280.30298

>  <Cat> (50)
S4250

>  <Name> (50)
Sulfamethoxypyridazine

>  <Synonyms> (50)
CL 13494

>  <Target> (50)
Anti-infection

>  <Form> (50)
free base

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

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

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/04082409142D

 34 37  0  0  0  0  0  0  0  0999 V2000
   11.9000    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6000    4.6406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1000    8.2779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8000    9.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8000    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    1.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (51)
1503

>  <Formula> (51)
C24H25ClFN5O3

>  <MolWeight> (51)
485.9384032

>  <Cat> (51)
S1011

>  <Name> (51)
Afatinib (BIBW2992)

>  <Synonyms> (51)
BIBW2992

>  <Target> (51)
Autophagy,EGFR,HER2

>  <Form> (51)
Free Base

>  <CAS> (51)
850140-72-6

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

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/04082409142D

 38 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (52)
1516

>  <Formula> (52)
C25H31N7O6

>  <MolWeight> (52)
525.55694

>  <Cat> (52)
S2018

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

>  <Synonyms> (52)
N/A

>  <Target> (52)
Aurora Kinase,FLT3,VEGFR

>  <Form> (52)
free base

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

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

$$$$
PF-2341066.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (53)
1523

>  <Formula> (53)
C21H22Cl2FN5O

>  <MolWeight> (53)
450.3366832

>  <Cat> (53)
S1068

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

>  <Synonyms> (53)
PF-02341066

>  <Target> (53)
ALK,Autophagy,c-Met,ROS1

>  <Form> (53)
free base

>  <CAS> (53)
877399-52-5

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

$$$$
BMS-599626 (AC480).cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (54)
1533

>  <Formula> (54)
C27H27FN8O3

>  <MolWeight> (54)
530.5534832

>  <Cat> (54)
S1056

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

>  <Synonyms> (54)
N/A

>  <Target> (54)
EGFR,HER2

>  <Form> (54)
free base

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

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

$$$$
S4719 Kynurenic acid.cdx
csChFnd80/04082409142D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
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  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (55)
1669

>  <Formula> (55)
C10H7NO3

>  <MolWeight> (55)
189.16748

>  <Cat> (55)
S4719

>  <Name> (55)
Kynurenic acid

>  <Synonyms> (55)
Quinurenic acid, Kynurenate

>  <Target> (55)
NMDAR

>  <Form> (55)
free base

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

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

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/04082409142D

 30 27  0  0  0  0  0  0  0  0999 V2000
    2.4236    2.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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  5 10  1  0  0  0  0
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 10 12  2  0  0  0  0
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 18 19  1  0  0  0  0
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 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
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M  END
>  <Mol_ID> (56)
1799

>  <Formula> (56)
C17H17N3Na2O8

>  <MolWeight> (56)
437.31172

>  <Cat> (56)
S3745

>  <Name> (56)
Balsalazide disodium

>  <Synonyms> (56)
N/A

>  <Target> (56)
Immunology & Inflammation related,Interleukins,STAT

>  <Form> (56)
disodium salt dihydrate

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

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

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/04082409142D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5458    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    2.1429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.3334    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2298    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9749    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2155    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9804    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7583    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4280    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  4  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (57)
1840

>  <Formula> (57)
C18H22O4

>  <MolWeight> (57)
302.36488

>  <Cat> (57)
S3984

>  <Name> (57)
Nordihydroguaiaretic acid (NDGA)

>  <Synonyms> (57)
N/A

>  <Target> (57)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Ferroptosis,HER2,IGF-1R,Lipoxygenase

>  <Form> (57)
free base

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

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

$$$$
S3840 Baohuoside I.cdx
csChFnd80/04082409142D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  3 17  1  0  0  0  0
  7 18  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 29 34  1  1  0  0  0
 32 35  1  1  0  0  0
 30 36  1  1  0  0  0
 31 37  1  6  0  0  0
M  END
>  <Mol_ID> (58)
1863

>  <Formula> (58)
C27H30O10

>  <MolWeight> (58)
514.5211

>  <Cat> (58)
S3840

>  <Name> (58)
Baohuoside I

>  <Synonyms> (58)
Icariside II

>  <Target> (58)
ROS

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

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

$$$$
S3769 Palmatine.cdx
csChFnd80/04082409142D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.0651    2.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8544    2.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    2.1084    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0657    4.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8538    0.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4897    2.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2784    0.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2763    4.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    0.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0681    0.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4906    4.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2769    6.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7016    4.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4847    7.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2171    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6985    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9140    4.2155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0057    0.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9110    7.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1275    4.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1234    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (59)
1870

>  <Formula> (59)
C21H22NO4+

>  <MolWeight> (59)
352.40368

>  <Cat> (59)
S3769

>  <Name> (59)
Palmatine

>  <Synonyms> (59)
Berbericinine, Burasaine

>  <Target> (59)
AChR

>  <Form> (59)
free base

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

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

$$$$
S3888 3,4`,5-Trimethoxy-trans-stilbene.cdx
csChFnd80/04082409142D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8487    4.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    4.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    2.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    4.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6311    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740    4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    4.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6311    0.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4867    4.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4187    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4867    6.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6955    4.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7074    7.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9027    4.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1255    7.0054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3323    6.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (60)
1911

>  <Formula> (60)
C17H18O3

>  <MolWeight> (60)
270.32302

>  <Cat> (60)
S3888

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

>  <Synonyms> (60)
MR-3

>  <Target> (60)
p38 MAPK

>  <Form> (60)
free base

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

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

$$$$
S3804 Alpha-Mangostin.cdx
csChFnd80/04082409142D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.8632    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8632    0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    2.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    2.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    0.0265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    0.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4319    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    4.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2945    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    4.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2945    0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4319    0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    2.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    4.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4863    2.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4863    0.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    6.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4863    4.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9441    2.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9441    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3493    2.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5662    2.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3412    4.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
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 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
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 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END
>  <Mol_ID> (61)
1925

>  <Formula> (61)
C24H26O6

>  <MolWeight> (61)
410.45964

>  <Cat> (61)
S3804

>  <Name> (61)
Alpha-Mangostin

>  <Synonyms> (61)
N/A

>  <Target> (61)
Dehydrogenase,STING

>  <Form> (61)
free base

>  <CAS> (61)
6147-11-1

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

$$$$
LY2109761.cdx
csChFnd80/04082409142D

 33 38  0  0  0  0  0  0  0  0999 V2000
    4.1777    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1777    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6026    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6026    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9652    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7528    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7528    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2272    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4355    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6479    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8603    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8603    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6479    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4355    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4979    5.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5979    3.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2979    5.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1979    6.2305    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 24  1  0  0  0  0
 21 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
M  END
>  <Mol_ID> (62)
1955

>  <Formula> (62)
C26H27N5O2

>  <MolWeight> (62)
441.52488

>  <Cat> (62)
S2704

>  <Name> (62)
LY2109761

>  <Synonyms> (62)
N/A

>  <Target> (62)
Apoptosis related,Autophagy,TGF-beta/Smad

>  <Form> (62)
Free Base

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

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

$$$$
Plerixafor 8HCl.cdx
csChFnd80/04082409142D

 44 38  0  0  0  0  0  0  0  0999 V2000
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   11.9235    2.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0737    5.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1359    3.2835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7232    4.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9319    6.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
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 10 11  1  0  0  0  0
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 31 32  1  0  0  0  0
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 35 36  1  0  0  0  0
 23 36  1  0  0  0  0
  8 23  1  0  0  0  0
M  END
>  <Mol_ID> (63)
1957

>  <Formula> (63)
C28H62Cl8N8

>  <MolWeight> (63)
794.46948

>  <Cat> (63)
S3013

>  <Name> (63)
Plerixafor (AMD3100) 8HCl

>  <Synonyms> (63)
JM 3100 8HCl,Plerixafor Octahydrochloride,AMD3100 octahydrochloride,SID791 octahydrochloride

>  <Target> (63)
CXCR,HIV

>  <Form> (63)
Octahydrochloride

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

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

$$$$
LY364947.cdx
csChFnd80/04082409142D

 21 24  0  0  0  0  0  0  0  0999 V2000
    2.2347    0.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6041    0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1082    2.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    3.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    4.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
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 14 15  2  0  0  0  0
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 16 17  1  0  0  0  0
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 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 13 16  1  0  0  0  0
  4 14  1  0  0  0  0
M  END
>  <Mol_ID> (64)
1959

>  <Formula> (64)
C17H12N4

>  <MolWeight> (64)
272.30398

>  <Cat> (64)
S2805

>  <Name> (64)
LY364947

>  <Synonyms> (64)
HTS 466284

>  <Target> (64)
Casein Kinase,Mixed Lineage Kinase,RIP kinase,TGF-beta/Smad

>  <Form> (64)
Free Base

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

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

$$$$
Chloroquine phosphate.cdx
csChFnd80/04082409142D

 32 31  0  0  0  0  0  0  0  0999 V2000
    3.6275    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    4.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    6.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    6.1865    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
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    6.2258    1.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0932    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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  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> (65)
1993

>  <Formula> (65)
C18H32ClN3O8P2

>  <MolWeight> (65)
515.862502

>  <Cat> (65)
S4157

>  <Name> (65)
Chloroquine diphosphate

>  <Synonyms> (65)
N/A

>  <Target> (65)
Anti-infection,ATM/ATR,Autophagy,COVID-19,TLR

>  <Form> (65)
diphosphate

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

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

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/04082409142D

 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
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   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
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   16.8359   12.1085    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.1717    1.2648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   22.6380   16.8821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1 78  1  6  0  0  0
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  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
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 11 18  1  1  0  0  0
 11 12  1  0  0  0  0
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 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
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 27 31  1  0  0  0  0
 29 32  1  0  0  0  0
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 34 40  1  0  0  0  0
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 35 42  1  6  0  0  0
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 44 37  1  1  0  0  0
 38 45  1  0  0  0  0
 38 46  1  1  0  0  0
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 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
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 43 52  1  0  0  0  0
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 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
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 59 63  1  0  0  0  0
 59 64  1  1  0  0  0
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M  END
>  <Mol_ID> (66)
2015

>  <Formula> (66)
C54H92O23

>  <MolWeight> (66)
1109.29448

>  <Cat> (66)
S3924

>  <Name> (66)
Ginsenoside Rb1

>  <Synonyms> (66)
Gypenoside ¢ó

>  <Target> (66)
ATPase,IFN,IRAK,NF-¦ÊB,NOS,TLR,TNF-alpha

>  <Form> (66)
free base

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

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

$$$$
S4785 Nicotinamide N-oxide.cdx
csChFnd80/04082409142D

 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
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  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> (67)
2059

>  <Formula> (67)
C6H6N2O2

>  <MolWeight> (67)
138.12404

>  <Cat> (67)
S4785

>  <Name> (67)
Nicotinamide N-oxide

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

>  <Target> (67)
CXCR

>  <Form> (67)
free base

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

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

$$$$
S3951 Tannic acid.cdx
csChFnd80/04082409142D

122132  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (68)
2082

>  <Formula> (68)
C76H52O46

>  <MolWeight> (68)
1701.19848

>  <Cat> (68)
S3951

>  <Name> (68)
Tannic acid

>  <Synonyms> (68)
Gallotannic acid

>  <Target> (68)
CXCR

>  <Form> (68)
free base

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

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

$$$$
S3988 Theophylline-7-acetic acid.cdx
csChFnd80/04082409142D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6380    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9686    3.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9733    1.6727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7939    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985    5.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4314    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (69)
2097

>  <Formula> (69)
C9H10N4O4

>  <MolWeight> (69)
238.2001

>  <Cat> (69)
S3988

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

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

>  <Target> (69)
Adenosine Receptor

>  <Form> (69)
free base

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

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

$$$$
S4932 Proxyphylline.cdx
csChFnd80/04082409142D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6401    3.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9448    3.9565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455    1.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910    1.6915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7905    2.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3608    5.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (70)
2141

>  <Formula> (70)
C10H14N4O3

>  <MolWeight> (70)
238.24316

>  <Cat> (70)
S4932

>  <Name> (70)
Proxyphylline

>  <Synonyms> (70)
Monophylline, Spasmolysin

>  <Target> (70)
Adenosine Receptor

>  <Form> (70)
free base

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

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

$$$$
S3810 Scutellarin.cdx
csChFnd80/04082409142D

 33 36  0  0  0  0  0  0  0  0999 V2000
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    8.5054    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    2.0260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    2.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    6.2883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    6.2372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    2.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1497    0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6314    2.7969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (71)
2233

>  <Formula> (71)
C21H18O12

>  <MolWeight> (71)
462.36042

>  <Cat> (71)
S3810

>  <Name> (71)
Scutellarin

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

>  <Target> (71)
Akt,NF-¦ÊB,STAT

>  <Form> (71)
free base

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

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

$$$$
untitled.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (72)
2234

>  <Formula> (72)
C24H25ClFN5O3

>  <MolWeight> (72)
485.9384032

>  <Cat> (72)
S1019

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

>  <Synonyms> (72)
PD183805

>  <Target> (72)
EGFR,HER2

>  <Form> (72)
Free Base

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

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

$$$$

csChFnd80/04082409142D

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>  <Mol_ID> (73)
2270

>  <Formula> (73)
C24H22F3N5O5

>  <MolWeight> (73)
517.4571896

>  <Cat> (73)
S8015

>  <Name> (73)
Agerafenib (RXDX-105)

>  <Synonyms> (73)
CEP-32496

>  <Target> (73)
c-Kit,c-RET,CSF-1R,PDGFR,Raf

>  <Form> (73)
free base

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

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

$$$$
Plerixafor.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (74)
2280

>  <Formula> (74)
C28H54N8

>  <MolWeight> (74)
502.78196

>  <Cat> (74)
S8030

>  <Name> (74)
Plerixafor (AMD3100)

>  <Synonyms> (74)
JM 3100, SID791

>  <Target> (74)
CXCR,HIV

>  <Form> (74)
Free Base

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

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

$$$$
Necrostatin-1.cdx
csChFnd80/04082409142D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (75)
2286

>  <Formula> (75)
C13H13N3OS

>  <MolWeight> (75)
259.32682

>  <Cat> (75)
S8037

>  <Name> (75)
Necrostatin-1

>  <Synonyms> (75)
Nec-1

>  <Target> (75)
Apoptosis related,Autophagy,IDO/TDO,RIP kinase,TNF-alpha

>  <Form> (75)
free base

>  <CAS> (75)
4311-88-0

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

$$$$
STATTIC.cdx
csChFnd80/04082409142D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (76)
2298

>  <Formula> (76)
C8H5NO4S

>  <MolWeight> (76)
211.1946

>  <Cat> (76)
S7024

>  <Name> (76)
Stattic

>  <Synonyms> (76)
N/A

>  <Target> (76)
Apoptosis related,STAT

>  <Form> (76)
free base

>  <CAS> (76)
19983-44-9

>  <URL> (76)
http://selleckchem.com/products/stattic.html

$$$$
GW2580.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (77)
2302

>  <Formula> (77)
C20H22N4O3

>  <MolWeight> (77)
366.41368

>  <Cat> (77)
S8042

>  <Name> (77)
GW2580

>  <Synonyms> (77)
SC-203877

>  <Target> (77)
CSF-1R

>  <Form> (77)
free base

>  <CAS> (77)
870483-87-7

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

$$$$
Butein.cdx
csChFnd80/04082409142D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6599    3.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (78)
2304

>  <Formula> (78)
C15H12O5

>  <MolWeight> (78)
272.25278

>  <Cat> (78)
S8036

>  <Name> (78)
Butein

>  <Synonyms> (78)
N/A

>  <Target> (78)
EGFR

>  <Form> (78)
free base

>  <CAS> (78)
487-52-5

>  <URL> (78)
http://selleckchem.com/products/butein.html

$$$$
Imiquimod.cdx
csChFnd80/04082409142D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (79)
2324

>  <Formula> (79)
C14H16N4

>  <MolWeight> (79)
240.30364

>  <Cat> (79)
S1211

>  <Name> (79)
Imiquimod (R-837)

>  <Synonyms> (79)
Aldara,R-837, S-26308

>  <Target> (79)
Immunology & Inflammation related

>  <Form> (79)
free base

>  <CAS> (79)
99011-02-6

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

$$$$
Ticlopidine hydrochloride.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (80)
2402

>  <Formula> (80)
C14H15Cl2NS

>  <MolWeight> (80)
300.2466

>  <Cat> (80)
S1984

>  <Name> (80)
Ticlopidine HCl

>  <Synonyms> (80)
N/A

>  <Target> (80)
P2 Receptor

>  <Form> (80)
Hydrochloride

>  <CAS> (80)
53885-35-1

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

$$$$
NLG-919.cdx
csChFnd80/04082409142D

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    4.8299    3.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7635    2.6016    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.3323    1.2748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0649    1.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4343    2.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8669    3.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9301    4.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5607    4.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (81)
2421

>  <Formula> (81)
C18H22N2O

>  <MolWeight> (81)
282.38008

>  <Cat> (81)
S7111

>  <Name> (81)
IDO-IN-2

>  <Synonyms> (81)
RG 6078, NLG-919 analogue, GDC-0919 analogue

>  <Target> (81)
IDO/TDO

>  <Form> (81)
free base

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

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

$$$$
Epacadostat (INCB024360).cdx
csChFnd80/04082409142D

 25 26  0  0  0  0  0  0  0  0999 V2000
    9.4320    1.9249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5479    3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2363    2.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9203    5.3590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2603    4.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1920    1.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5835    3.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6051    4.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1820    0.6926    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5680    4.9966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.2757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
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 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
  7 17  1  0  0  0  0
  3 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (82)
2456

>  <Formula> (82)
C11H13BrFN7O4S

>  <MolWeight> (82)
438.2328232

>  <Cat> (82)
S7910

>  <Name> (82)
Epacadostat (INCB024360)

>  <Synonyms> (82)
N/A

>  <Target> (82)
IDO/TDO

>  <Form> (82)
free base

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

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

$$$$
FLLL32.cdx
csChFnd80/04082409142D

 34 36  0  0  0  0  0  0  0  0999 V2000
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7532    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9657    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  6  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
  8 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  2  0  0  0  0
  7 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (83)
2464

>  <Formula> (83)
C28H32O6

>  <MolWeight> (83)
464.55008

>  <Cat> (83)
S7259

>  <Name> (83)
FLLL32

>  <Synonyms> (83)
N/A

>  <Target> (83)
IFN,Interleukins,JAK

>  <Form> (83)
free base

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

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

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/04082409142D

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.3047    2.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    2.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4671    3.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3211    4.0263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    1.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8670    3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5527    2.0640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9526    2.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1568    1.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1732    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8361    2.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8095    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1460    0.4170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  1  0  0  0  0
  6 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16  6  1  0  0  0  0
M  END
>  <Mol_ID> (84)
2471

>  <Formula> (84)
C11H10N2O2S

>  <MolWeight> (84)
234.2743

>  <Cat> (84)
S7914

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

>  <Synonyms> (84)
N/A

>  <Target> (84)
TGF-beta/Smad,Wnt/beta-catenin

>  <Form> (84)
free base

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

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

$$$$
PD-L1 inhibitor 2.cdx
csChFnd80/04082409142D

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.6953    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3326    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1823    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 24 19  1  0  0  0  0
 20 25  1  0  0  0  0
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 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (85)
2477

>  <Formula> (85)
C25H29N3O3

>  <MolWeight> (85)
419.51606

>  <Cat> (85)
S7912

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

>  <Synonyms> (85)
N/A

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

>  <Form> (85)
free base

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

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

$$$$
T0901317.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (86)
2555

>  <Formula> (86)
C17H12F9NO3S

>  <MolWeight> (86)
481.3327088

>  <Cat> (86)
S7076

>  <Name> (86)
T0901317

>  <Synonyms> (86)
N/A

>  <Target> (86)
Apoptosis related,FXR,Liver X Receptor,ROR

>  <Form> (86)
free base

>  <CAS> (86)
293754-55-9

>  <URL> (86)
http://selleckchem.com/products/t0901317.html

$$$$
SC144.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (87)
2557

>  <Formula> (87)
C16H11FN6O

>  <MolWeight> (87)
322.2965432

>  <Cat> (87)
S7124

>  <Name> (87)
SC144

>  <Synonyms> (87)
N/A

>  <Target> (87)
P-gp

>  <Form> (87)
free base

>  <CAS> (87)
895158-95-9

>  <URL> (87)
http://selleckchem.com/products/sc144.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/04082409142D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (88)
2564

>  <Formula> (88)
C17H13N5

>  <MolWeight> (88)
287.31862

>  <Cat> (88)
S7223

>  <Name> (88)
RepSox (E-616452)

>  <Synonyms> (88)
SJN 2511,ALK5 Inhibitor II

>  <Target> (88)
TGF-beta/Smad

>  <Form> (88)
free base

>  <CAS> (88)
446859-33-2

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

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (89)
2585

>  <Formula> (89)
C24H27Cl2N5O

>  <MolWeight> (89)
472.41008

>  <Cat> (89)
S7306

>  <Name> (89)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (89)
BML-275 2HCl,Compound C 2HCl

>  <Target> (89)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (89)
Dihydrochloride

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

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

$$$$
pimozide.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (90)
2628

>  <Formula> (90)
C28H29F2N3O

>  <MolWeight> (90)
461.5461664

>  <Cat> (90)
S4358

>  <Name> (90)
Pimozide

>  <Synonyms> (90)
Orap, R6238

>  <Target> (90)
5-HT Receptor,Adrenergic Receptor,Dopamine Receptor,STAT

>  <Form> (90)
Free Base

>  <CAS> (90)
2062-78-4

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

$$$$
LM-3151 K 02288.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (91)
2683

>  <Formula> (91)
C20H20N2O4

>  <MolWeight> (91)
352.3838

>  <Cat> (91)
S7359

>  <Name> (91)
K02288

>  <Synonyms> (91)
N/A

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

>  <Form> (91)
free base

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

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

$$$$
LDN193189 HCl.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (92)
2704

>  <Formula> (92)
C25H23ClN6

>  <MolWeight> (92)
442.94332

>  <Cat> (92)
S7507

>  <Name> (92)
LDN-193189 2HCl

>  <Synonyms> (92)
DM-3189 2HCl

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

>  <Form> (92)
Hydrochloride

>  <CAS> (92)
1435934-00-1

>  <URL> (92)
http://selleckchem.com/products/ldn-193189-2hcl.html

$$$$
ML347.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (93)
2718

>  <Formula> (93)
C22H16N4O

>  <MolWeight> (93)
352.38864

>  <Cat> (93)
S7148

>  <Name> (93)
ML347

>  <Synonyms> (93)
LDN-193719

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

>  <Form> (93)
free base

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

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

$$$$
DMH1.cdx
csChFnd80/04082409142D

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N/A

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Autophagy,TGF-beta/Smad

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free base

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1206711-16-1

>  <URL> (94)
http://selleckchem.com/products/dmh1.html

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LDN-212854

>  <Synonyms> (95)
BMP Inhibitor III

>  <Target> (95)
TGF-beta/Smad

>  <Form> (95)
free base

>  <CAS> (95)
1432597-26-6

>  <URL> (95)
http://selleckchem.com/products/ldn-212854.html

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2787

>  <Formula> (96)
C28H30F2N2O2

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>  <Cat> (96)
S7501

>  <Name> (96)
HO-3867

>  <Synonyms> (96)
N/A

>  <Target> (96)
Apoptosis related,STAT

>  <Form> (96)
free base

>  <CAS> (96)
1172133-28-6

>  <URL> (96)
http://selleckchem.com/products/ho-3867.html

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SH-4-54

>  <Synonyms> (97)
N/A

>  <Target> (97)
STAT

>  <Form> (97)
free base

>  <CAS> (97)
1456632-40-8

>  <URL> (97)
http://selleckchem.com/products/sh-4-54.html

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csChFnd80/04082409142D

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M  END
>  <Mol_ID> (98)
2820

>  <Formula> (98)
C9H7ClFN5O2

>  <MolWeight> (98)
271.6355832

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S7587

>  <Name> (98)
Epacadostat (INCB024360) analogue

>  <Synonyms> (98)
INCB14943

>  <Target> (98)
IDO/TDO

>  <Form> (98)
free base

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

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

$$$$
EW-7197.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (99)
2846

>  <Formula> (99)
C22H18FN7

>  <MolWeight> (99)
399.4236232

>  <Cat> (99)
S7530

>  <Name> (99)
Vactosertib (TEW-7197)

>  <Synonyms> (99)
EW-7197

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

>  <Form> (99)
free base

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

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

$$$$
Kartogenin.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (100)
2847

>  <Formula> (100)
C20H15NO3

>  <MolWeight> (100)
317.338

>  <Cat> (100)
S7658

>  <Name> (100)
Kartogenin

>  <Synonyms> (100)
KGN

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

>  <Form> (100)
free base

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

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

$$$$
Hydroxychloroquine sulfate.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (101)
2863

>  <Formula> (101)
C18H28ClN3O5S

>  <MolWeight> (101)
433.95002

>  <Cat> (101)
S4430

>  <Name> (101)
Hydroxychloroquine Sulfate (NSC 4375)

>  <Synonyms> (101)
HCQ

>  <Target> (101)
Anti-infection,Autophagy,COVID-19,TLR

>  <Form> (101)
Sulfate

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

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

$$$$
SB225002.cdx
csChFnd80/04082409142D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (102)
2864

>  <Formula> (102)
C13H10BrN3O4

>  <MolWeight> (102)
352.1402

>  <Cat> (102)
S7651

>  <Name> (102)
SB225002

>  <Synonyms> (102)
N/A

>  <Target> (102)
CXCR

>  <Form> (102)
free base

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

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

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/04082409142D

 33 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (103)
2896

>  <Formula> (103)
C23H21Cl2FN4O3

>  <MolWeight> (103)
491.3422432

>  <Cat> (103)
S7358

>  <Name> (103)
Poziotinib (HM781-36B)

>  <Synonyms> (103)
NOV120101

>  <Target> (103)
Apoptosis related,EGFR,HER2

>  <Form> (103)
free base

>  <CAS> (103)
1092364-38-9

>  <URL> (103)
http://selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
SD208.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (104)
2911

>  <Formula> (104)
C17H10ClFN6

>  <MolWeight> (104)
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>  <Cat> (104)
S7624

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SD-208

>  <Synonyms> (104)
N/A

>  <Target> (104)
TGF-beta/Smad

>  <Form> (104)
free base

>  <CAS> (104)
627536-09-8

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

$$$$
Indoximod.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (105)
2915

>  <Formula> (105)
C12H14N2O2

>  <MolWeight> (105)
218.25176

>  <Cat> (105)
S7756

>  <Name> (105)
Indoximod (NLG-8189£©

>  <Synonyms> (105)
1-Methyl-D-tryptophan, 1-MT

>  <Target> (105)
IDO/TDO

>  <Form> (105)
Free Base

>  <CAS> (105)
110117-83-4

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

$$$$
BLZ945.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (106)
2921

>  <Formula> (106)
C20H22N4O3S

>  <MolWeight> (106)
398.47868

>  <Cat> (106)
S7725

>  <Name> (106)
BLZ945

>  <Synonyms> (106)
Sotuletinib

>  <Target> (106)
CSF-1R

>  <Form> (106)
free base

>  <CAS> (106)
953769-46-5

>  <URL> (106)
http://selleckchem.com/products/blz945.html

$$$$
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csChFnd80/04082409142D

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M  END
>  <Mol_ID> (107)
2953

>  <Formula> (107)
C32H33ClFN5O11

>  <MolWeight> (107)
718.0827232

>  <Cat> (107)
S7810

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

>  <Synonyms> (107)
N/A

>  <Target> (107)
Autophagy,EGFR,HER2

>  <Form> (107)
Dimaleate

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

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

$$$$
LDN-214117.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (108)
2959

>  <Formula> (108)
C25H29N3O3

>  <MolWeight> (108)
419.51606

>  <Cat> (108)
S7627

>  <Name> (108)
LDN-214117

>  <Synonyms> (108)
N/A

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

>  <Form> (108)
free base

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

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

$$$$
PLX3397.cdx
csChFnd80/04082409142D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (109)
2983

>  <Formula> (109)
C20H15ClF3N5

>  <MolWeight> (109)
417.8148096

>  <Cat> (109)
S7818

>  <Name> (109)
Pexidartinib (PLX3397)

>  <Synonyms> (109)
N/A

>  <Target> (109)
Apoptosis related,c-Kit,CSF-1R,FLT3

>  <Form> (109)
free base

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

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

$$$$
Dorsomorphin.cdx
csChFnd80/04082409142D

 30 34  0  0  0  0  0  0  0  0999 V2000
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   14.1626    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
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 17 18  1  0  0  0  0
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 21 16  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (110)
2988

>  <Formula> (110)
C24H25N5O

>  <MolWeight> (110)
399.4882

>  <Cat> (110)
S7840

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

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

>  <Target> (110)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (110)
Free Base

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

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

$$$$
BBI608(Napabucasin.cdx
csChFnd80/04082409142D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  0  0  0  0
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  9 10  1  0  0  0  0
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M  END
>  <Mol_ID> (111)
2996

>  <Formula> (111)
C14H8O4

>  <MolWeight> (111)
240.21092

>  <Cat> (111)
S7977

>  <Name> (111)
Napabucasin (BBI608)

>  <Synonyms> (111)
BBI608

>  <Target> (111)
STAT

>  <Form> (111)
free base

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

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

$$$$
VTX-2337.cdx
csChFnd80/04082409142D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (112)
3017

>  <Formula> (112)
C28H34N4O2

>  <MolWeight> (112)
458.59516

>  <Cat> (112)
S7161

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

>  <Synonyms> (112)
N/A

>  <Target> (112)
TLR

>  <Form> (112)
free base

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

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

$$$$
Resiquimod.cdx
csChFnd80/04082409142D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (113)
3030

>  <Formula> (113)
C17H22N4O2

>  <MolWeight> (113)
314.38218

>  <Cat> (113)
S8133

>  <Name> (113)
Resiquimod (R-848)

>  <Synonyms> (113)
S28463

>  <Target> (113)
HCV,IFN,Interleukins,TLR,TNF-alpha

>  <Form> (113)
free base

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

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

$$$$
SCH58261.cdx
csChFnd80/04082409142D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (114)
3053

>  <Formula> (114)
C18H15N7O

>  <MolWeight> (114)
345.358

>  <Cat> (114)
S8104

>  <Name> (114)
SCH58261

>  <Synonyms> (114)
N/A

>  <Target> (114)
Adenosine Receptor

>  <Form> (114)
free base

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

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

$$$$
STA-21.cdx
csChFnd80/04082409142D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (115)
3055

>  <Formula> (115)
C19H14O4

>  <MolWeight> (115)
306.31206

>  <Cat> (115)
S7951

>  <Name> (115)
Ochromycinone (STA-21)

>  <Synonyms> (115)
N/A

>  <Target> (115)
STAT

>  <Form> (115)
free base

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

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

$$$$
BEC Hydrochloride.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (116)
3062

>  <Formula> (116)
C5H13BClNO4S

>  <MolWeight> (116)
229.49002

>  <Cat> (116)
S7929

>  <Name> (116)
BEC HCl

>  <Synonyms> (116)
N/A

>  <Target> (116)
Arginase

>  <Form> (116)
hydrochloride salt

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

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

$$$$
PD-1PD-L1 inhibitor 1.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (117)
3064

>  <Formula> (117)
C29H33NO5

>  <MolWeight> (117)
475.57602

>  <Cat> (117)
S7911

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

>  <Synonyms> (117)
PD1-PDL1-IN1

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

>  <Form> (117)
free base

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

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

$$$$
ZM241385.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (118)
3132

>  <Formula> (118)
C16H15N7O2

>  <MolWeight> (118)
337.336

>  <Cat> (118)
S8105

>  <Name> (118)
ZM241385

>  <Synonyms> (118)
N/A

>  <Target> (118)
Adenosine Receptor

>  <Form> (118)
free base

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

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

$$$$
SIS3.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (119)
3184

>  <Formula> (119)
C28H28ClN3O3

>  <MolWeight> (119)
489.99322

>  <Cat> (119)
S7959

>  <Name> (119)
SIS3 HCl

>  <Synonyms> (119)
N/A

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

>  <Form> (119)
hydrochloride

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

>  <URL> (119)
https://www.selleckchem.com/products/sis3-hcl.html

$$$$
ATI-2341.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (120)
3192

>  <Formula> (120)
C104H178N26O25S2

>  <MolWeight> (120)
2256.81532

>  <Cat> (120)
S8309

>  <Name> (120)
ATI-2341

>  <Synonyms> (120)
N/A

>  <Target> (120)
CXCR

>  <Form> (120)
free base

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

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

$$$$
GS-9620.cdx
csChFnd80/04082409142D

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3194

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C22H30N6O2

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Vesatolimod (GS-9620)

>  <Target> (121)
TLR

>  <Form> (121)
Free Base

>  <CAS> (121)
1228585-88-3

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

$$$$
ZK756326.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (122)
3207

>  <Formula> (122)
C21H30Cl2N2O3

>  <MolWeight> (122)
429.3805

>  <Cat> (122)
S8324

>  <Name> (122)
ZK756326 2HCl

>  <Synonyms> (122)
N/A

>  <Target> (122)
CCR

>  <Form> (122)
Dihydrochloride

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

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

$$$$
Alantolactone.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (123)
3223

>  <Formula> (123)
C15H20O2

>  <MolWeight> (123)
232.3181

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S8318

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Alantolactone

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helenin, helenine, Eupatal

>  <Target> (123)
TGF-beta/Smad

>  <Form> (123)
free base

>  <CAS> (123)
546-43-0

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

$$$$
NT157.cdx
csChFnd80/04082409142D

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3236

>  <Formula> (124)
C16H14BrNO5S

>  <MolWeight> (124)
412.25506

>  <Cat> (124)
S8228

>  <Name> (124)
NT157

>  <Synonyms> (124)
N/A

>  <Target> (124)
IGF-1R

>  <Form> (124)
free base

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

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

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/04082409142D

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>  <Mol_ID> (125)
3244

>  <Formula> (125)
C26H24N8O2

>  <MolWeight> (125)
480.52116

>  <Cat> (125)
S8362

>  <Name> (125)
Tucatinib

>  <Synonyms> (125)
Irbinitinib, ONT-380, ARRY-380

>  <Target> (125)
EGFR,HER2

>  <Form> (125)
free base

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

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

$$$$
LM10.cdx
csChFnd80/04082409142D

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N/A

>  <Target> (126)
IDO/TDO

>  <Form> (126)
free base

>  <CAS> (126)
1316695-35-8

>  <URL> (126)
http://selleckchem.com/products/lm10.html

$$$$
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csChFnd80/04082409142D

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>  <Synonyms> (127)
N/A

>  <Target> (127)
Apoptosis related,c-Kit,c-RET,CSF-1R,FGFR,PDGFR,VEGFR

>  <Form> (127)
free base

>  <CAS> (127)
1346242-81-6

>  <URL> (127)
http://selleckchem.com/products/jnj-42756493-erdafitinib.html

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csChFnd80/04082409142D

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BP-1-102

>  <Synonyms> (128)
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>  <Target> (128)
STAT

>  <Form> (128)
free base

>  <CAS> (128)
1334493-07-0

>  <URL> (128)
http://selleckchem.com/products/bp-1-102.html

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S8275-eFT-508.cdx
csChFnd80/04082409142D

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N/A

>  <Target> (129)
eIF,MNK,PD-1/PD-L1

>  <Form> (129)
free base

>  <CAS> (129)
1849590-01-7

>  <URL> (129)
http://selleckchem.com/products/eft-508.html

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csChFnd80/04082409142D

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3298

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C29H28F5N3O5S

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SH5-07 (SH-5-07)

>  <Synonyms> (130)
N/A

>  <Target> (130)
STAT

>  <Form> (130)
free base

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

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

$$$$
AMD3465.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (131)
3300

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C24H44Br6N6

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>  <Name> (131)
AMD3465 hexahydrobromide

>  <Synonyms> (131)
N/A

>  <Target> (131)
CXCR

>  <Form> (131)
HBr

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

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

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/04082409142D

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3315

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C15H18O2

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>  <Name> (132)
Atractylenolide I

>  <Synonyms> (132)
N/A

>  <Target> (132)
Immunology & Inflammation related

>  <Form> (132)
free base

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

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

$$$$
DAPTA.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (133)
3347

>  <Formula> (133)
C35H56N10O15

>  <MolWeight> (133)
856.87714

>  <Cat> (133)
S8501

>  <Name> (133)
Adaptavir (DAPTA)

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

>  <Target> (133)
CCR

>  <Form> (133)
free base

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

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

$$$$
AUNP-12.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (134)
3360

>  <Formula> (134)
C142H226N40O48

>  <MolWeight> (134)
3261.55304

>  <Cat> (134)
S8549

>  <Name> (134)
AUNP-12

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

>  <Target> (134)
PD-1/PD-L1

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

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

$$$$
HJC0152.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (135)
3392

>  <Formula> (135)
C15H14Cl3N3O4

>  <MolWeight> (135)
406.64836

>  <Cat> (135)
S8561

>  <Name> (135)
HJC0152

>  <Synonyms> (135)
N/A

>  <Target> (135)
STAT

>  <Form> (135)
hydrochloride

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

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

$$$$
PRN1371.cdx
csChFnd80/04082409142D

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3396

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C26H30Cl2N6O4

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S8578

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PRN1371

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N/A

>  <Target> (136)
CSF-1R,FGFR

>  <Form> (136)
free base

>  <CAS> (136)
1802929-43-6

>  <URL> (136)
http://selleckchem.com/products/prn1371.html

$$$$
CPI-444.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (137)
3412

>  <Formula> (137)
C16H12FN5O

>  <MolWeight> (137)
309.2977832

>  <Cat> (137)
S8575

>  <Name> (137)
A2AR antagonist 1

>  <Synonyms> (137)
N/A

>  <Target> (137)
Adenosine Receptor

>  <Form> (137)
free base

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

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

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/04082409142D

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>  <Mol_ID> (138)
3418

>  <Formula> (138)
C14H21NO3S

>  <MolWeight> (138)
283.38644

>  <Cat> (138)
S8640

>  <Name> (138)
Reparixin (Repertaxin)

>  <Synonyms> (138)
DF 1681Y

>  <Target> (138)
CXCR

>  <Form> (138)
free base

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

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

$$$$
CA-4948.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (139)
3441

>  <Formula> (139)
C21H19N7O3

>  <MolWeight> (139)
417.42066

>  <Cat> (139)
S8562

>  <Name> (139)
IRAK4-IN-2

>  <Synonyms> (139)
N/A

>  <Target> (139)
IL Receptor,IRAK,TLR

>  <Form> (139)
free base

>  <CAS> (139)
1801343-74-7

>  <URL> (139)
https://www.selleckchem.com/products/irak4-in-2.html

$$$$
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csChFnd80/04082409142D

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>  <Mol_ID> (140)
3442

>  <Formula> (140)
C12H9FN2O2

>  <MolWeight> (140)
232.2104632

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S8657

>  <Name> (140)
PF-06840003

>  <Synonyms> (140)
EOS200271

>  <Target> (140)
IDO/TDO

>  <Form> (140)
free base

>  <CAS> (140)
198474-05-4

>  <URL> (140)
http://selleckchem.com/products/pf-06840003.html

$$$$
C188-9.cdx
csChFnd80/04082409142D

 34 38  0  0  0  0  0  0  0  0999 V2000
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (141)
3447

>  <Formula> (141)
C27H21NO5S

>  <MolWeight> (141)
471.52434

>  <Cat> (141)
S8605

>  <Name> (141)
C188-9

>  <Synonyms> (141)
TTI 101

>  <Target> (141)
STAT

>  <Form> (141)
free base

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

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

$$$$
IDO inhibitor 1.cdx
csChFnd80/04082409142D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (142)
3477

>  <Formula> (142)
C29H35N7O

>  <MolWeight> (142)
497.6345

>  <Cat> (142)
S8557

>  <Name> (142)
IDO inhibitor 1

>  <Synonyms> (142)
N/A

>  <Target> (142)
IDO/TDO

>  <Form> (142)
free base

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

>  <URL> (142)
http://selleckchem.com/products/ido-inhibitor-1.html

$$$$
GO-203.cdx
csChFnd80/04082409142D

167165  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (143)
3515

>  <Formula> (143)
C89H171F3N52O21S2

>  <MolWeight> (143)
2426.7710496

>  <Cat> (143)
S8674

>  <Name> (143)
GO-203

>  <Synonyms> (143)
N/A

>  <Target> (143)
Others

>  <Form> (143)
trifluoroacetate

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

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

$$$$
S5249 Coptisine chloride.cdx
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (144)
3576

>  <Formula> (144)
C19H14ClNO4

>  <MolWeight> (144)
355.77176

>  <Cat> (144)
S5249

>  <Name> (144)
Coptisine chloride

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

>  <Target> (144)
IDO/TDO

>  <Form> (144)
chloride

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

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

$$$$
AS1517499.cdx
csChFnd80/04082409142D

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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
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 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 20  1  0  0  0  0
M  END
>  <Mol_ID> (145)
3601

>  <Formula> (145)
C20H20ClN5O2

>  <MolWeight> (145)
397.8581

>  <Cat> (145)
S8685

>  <Name> (145)
AS1517499

>  <Synonyms> (145)
N/A

>  <Target> (145)
STAT

>  <Form> (145)
free base

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

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

$$$$
Cu-CPT22.cdx
csChFnd80/04082409142D

 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
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    5.9399    7.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9690    1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (146)
3629

>  <Formula> (146)
C19H22O7

>  <MolWeight> (146)
362.37378

>  <Cat> (146)
S8677

>  <Name> (146)
Cu-CPT22

>  <Synonyms> (146)
N/A

>  <Target> (146)
TLR

>  <Form> (146)
free base

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

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

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/04082409142D

 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
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   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  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> (147)
3653

>  <Formula> (147)
C10H16N5O8P

>  <MolWeight> (147)
365.236501

>  <Cat> (147)
S5284

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

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

>  <Target> (147)
AMPK

>  <Form> (147)
hydrate

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

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

$$$$
DCC-2618.cdx
csChFnd80/04082409142D

 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
    9.6703    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5200    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5200    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5822    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7946    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7946    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5822    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4324    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0324    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3588    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
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 19 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 19  1  0  0  0  0
  7 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35  7  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (148)
3734

>  <Formula> (148)
C26H21F2N5O3

>  <MolWeight> (148)
489.4734464

>  <Cat> (148)
S8721

>  <Name> (148)
PDGFR inhibitor 1

>  <Synonyms> (148)
N/A

>  <Target> (148)
c-Kit,CSF-1R,PDGFR,VEGFR

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

>  <URL> (148)
https://www.selleckchem.com/products/pdgfr-inhibitor-1.html

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/04082409142D

 60 67  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2668    2.0888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4745    2.7842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0491    4.1881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   16.9537    6.2395    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   18.1318    4.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  7  1  1  0  0  0
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 31 36  1  0  0  0  0
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 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (149)
3824

>  <Formula> (149)
C42H68O13

>  <MolWeight> (149)
780.98152

>  <Cat> (149)
S5454

>  <Name> (149)
Saikosaponin D

>  <Synonyms> (149)
N/A

>  <Target> (149)
ATPase

>  <Form> (149)
free base

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

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

$$$$
S5554 Lanatoside C.cdx
csChFnd80/04082409142D

 72 80  0  0  0  0  0  0  0  0999 V2000
   27.7632   15.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   26.5586   14.7207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   27.9166   14.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 61 63  1  0  0  0  0
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 63 67  1  1  0  0  0
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 65 68  1  6  0  0  0
 66 69  1  0  0  0  0
M  END
>  <Mol_ID> (150)
3872

>  <Formula> (150)
C49H76O20

>  <MolWeight> (150)
985.11574

>  <Cat> (150)
S5554

>  <Name> (150)
Lanatoside C

>  <Synonyms> (150)
N/A

>  <Target> (150)
Akt,Antiviral,Apoptosis related,Autophagy,JAK,mTOR,PI3K,STAT,Wnt/beta-catenin

>  <Form> (150)
free base

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

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

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/04082409142D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (151)
3913

>  <Formula> (151)
C20H18O6

>  <MolWeight> (151)
354.35332

>  <Cat> (151)
S3934

>  <Name> (151)
Acetyl Resveratrol

>  <Synonyms> (151)
N/A

>  <Target> (151)
Others

>  <Form> (151)
free base

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

>  <URL> (151)
https://www.selleckchem.com/products/acetyl-resveratrol.html

$$$$
S5358 Regadenoson.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (152)
3935

>  <Formula> (152)
C15H18N8O5

>  <MolWeight> (152)
390.35402

>  <Cat> (152)
S5358

>  <Name> (152)
Regadenoson

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

>  <Target> (152)
Adenosine Receptor

>  <Form> (152)
free base

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

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

$$$$
BMS-986205.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (153)
3948

>  <Formula> (153)
C24H24ClFN2O

>  <MolWeight> (153)
410.9115632

>  <Cat> (153)
S8629

>  <Name> (153)
Linrodostat (BMS-986205)

>  <Synonyms> (153)
ONO-7701

>  <Target> (153)
IDO/TDO

>  <Form> (153)
free base

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

>  <URL> (153)
https://www.selleckchem.com/products/bms-986205.html

$$$$

csChFnd80/04082409142D

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>  <Mol_ID> (154)
4146

>  <Formula> (154)
C14H11ClN4S2

>  <MolWeight> (154)
334.84694

>  <Cat> (154)
S8700

>  <Name> (154)
TP0427736 HCl

>  <Synonyms> (154)
N/A

>  <Target> (154)
TGF-beta/Smad

>  <Form> (154)
hydrochloride

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

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

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/04082409142D

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>  <Mol_ID> (155)
4173

>  <Formula> (155)
C29H39NO9

>  <MolWeight> (155)
545.62126

>  <Cat> (155)
S9015

>  <Name> (155)
Homoharringtonine (CGX-635)

>  <Synonyms> (155)
Omacetaxine mepesuccinate, HHT, Myelostat, NSC 141633

>  <Target> (155)
STAT

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

>  <URL> (155)
https://www.selleckchem.com/products/homoharringtonine.html

$$$$
S9100 Fraxinellone.cdx
csChFnd80/04082409142D

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    5.7163    5.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6925    6.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2094    0.3411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9181    6.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6786    7.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
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  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
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 12 17  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (156)
4235

>  <Formula> (156)
C14H16O3

>  <MolWeight> (156)
232.27504

>  <Cat> (156)
S9100

>  <Name> (156)
Fraxinellone

>  <Target> (156)
Immunology & Inflammation related

>  <Form> (156)
free base

>  <CAS> (156)
28808-62-0

>  <URL> (156)
https://www.selleckchem.com/products/fraxinellone.html

$$$$
S9137 Erianin.cdx
csChFnd80/04082409142D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
 12  1  1  0  0  0  0
  5  2  1  0  0  0  0
 13  2  1  0  0  0  0
  6  3  2  0  0  0  0
 14  3  1  0  0  0  0
  4  9  1  0  0  0  0
  7  4  2  0  0  0  0
 15  4  1  0  0  0  0
  8  5  2  0  0  0  0
  8  6  1  0  0  0  0
 19  7  1  0  0  0  0
  7 10  1  0  0  0  0
 16  8  1  0  0  0  0
  9 11  2  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  0  0  0  0
 17 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 18 16  1  0  0  0  0
 23 19  1  0  0  0  0
M  END
>  <Mol_ID> (157)
4265

>  <Formula> (157)
C18H22O5

>  <MolWeight> (157)
318.36428

>  <Cat> (157)
S9137

>  <Name> (157)
Erianin

>  <Target> (157)
IDO/TDO

>  <Form> (157)
free base

>  <CAS> (157)
95041-90-0

>  <URL> (157)
https://www.selleckchem.com/products/erianin.html

$$$$
S9234 Schaftoside.cdx
csChFnd80/04082409142D

 40 44  0  0  0  0  0  0  0  0999 V2000
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 14 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  1  0  0  0
 30 31  1  0  0  0  0
 21 29  1  0  0  0  0
 32 33  1  0  0  0  0
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 33 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 37 38  1  1  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
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 21  8  1  6  0  0  0
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M  END
>  <Mol_ID> (158)
4336

>  <Formula> (158)
C26H28O14

>  <MolWeight> (158)
564.49212

>  <Cat> (158)
S9234

>  <Name> (158)
Schaftoside

>  <Target> (158)
Lipase,MyD88,TLR

>  <CAS> (158)
51938-32-0

>  <URL> (158)
https://www.selleckchem.com/products/schaftoside.html

$$$$
S9240 Isofraxidin.cdx
csChFnd80/04082409142D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.9000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
  1  3  1  0  0  0  0
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  5 10  2  0  0  0  0
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 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (159)
4340

>  <Formula> (159)
C11H10O5

>  <MolWeight> (159)
222.1941

>  <Cat> (159)
S9240

>  <Name> (159)
Isofraxidin

>  <Synonyms> (159)
6,8-Dimethoxyumbelliferone

>  <Target> (159)
Immunology & Inflammation related

>  <Form> (159)
free base

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

>  <URL> (159)
https://www.selleckchem.com/products/isofraxidin.html

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/04082409142D

 63 66  0  0  0  0  0  0  0  0999 V2000
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   16.7055   12.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9179   10.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9179   11.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1304   12.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3428   11.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5552   12.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5552   13.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.7677   15.7172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 43 44  2  0  0  0  0
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 44 45  1  0  0  0  0
 45 50  1  0  0  0  0
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 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 24 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 53  1  0  0  0  0
 53 54  2  0  0  0  0
 54 55  1  0  0  0  0
 55 51  1  0  0  0  0
 54 56  1  0  0  0  0
 56 57  1  0  0  0  0
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 60 63  1  0  0  0  0
M  END
>  <Mol_ID> (160)
4552

>  <Formula> (160)
C43H44ClFN4O11S3

>  <MolWeight> (160)
943.4760632

>  <Cat> (160)
S5241

>  <Name> (160)
Lapatinib ditosylate monohydrate

>  <Synonyms> (160)
Lapatinib ditoluenesulfonate monohydrate, Lapatinib tosilate, Lapatinib tosilate hydrate

>  <Target> (160)
HER2

>  <Form> (160)
ditosylate monohydrate

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

>  <URL> (160)
https://www.selleckchem.com/products/lapatinib-ditosylate-monohydrate.html

$$$$

csChFnd80/04082409142D

 29 30  0  0  0  0  0  0  0  0999 V2000
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    4.8297    1.9228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  5 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 14 17  1  0  0  0  0
  9 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 29  1  0  0  0  0
M  END
>  <Mol_ID> (161)
4695

>  <Formula> (161)
C17H10F9NO2

>  <MolWeight> (161)
431.2524288

>  <Cat> (161)
S5775

>  <Name> (161)
SR1078

>  <Synonyms> (161)
N/A

>  <Target> (161)
ROR

>  <Form> (161)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 32 36  0  0  0  0  0  0  0  0999 V2000
    2.4534    4.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6658    2.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8782    2.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3706    0.5694    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
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 16 18  1  0  0  0  0
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M  END
>  <Mol_ID> (162)
4740

>  <Formula> (162)
C24H29N5O3

>  <MolWeight> (162)
435.51876

>  <Cat> (162)
S8772

>  <Name> (162)
LY 3200882

>  <Synonyms> (162)
N/A

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

>  <Form> (162)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    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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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 12 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (163)
4749

>  <Formula> (163)
C17H13ClN2O3

>  <MolWeight> (163)
328.74972

>  <Cat> (163)
S8813

>  <Name> (163)
LIT-927

>  <Synonyms> (163)
N/A

>  <Target> (163)
CXCR

>  <Form> (163)
Free Base

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

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

$$$$

csChFnd80/04082409142D

  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
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <Mol_ID> (164)
5091

>  <Formula> (164)
C5H11NO2

>  <MolWeight> (164)
117.14634

>  <Cat> (164)
S6334

>  <Name> (164)
DL-Norvaline

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

>  <Target> (164)
Arginase

>  <Form> (164)
free base

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

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

$$$$

csChFnd80/04082409142D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7049    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8976    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 12  1  0  0  0  0
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 17 12  1  0  0  0  0
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 15 19  1  0  0  0  0
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M  END
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5118

>  <Formula> (165)
C13H8Cl2N2O4

>  <MolWeight> (165)
327.11962

>  <Cat> (165)
S3030

>  <Name> (165)
Niclosamide (BAY2353)

>  <Synonyms> (165)
Niclocide, NSC 178296

>  <Target> (165)
Autophagy,STAT

>  <Form> (165)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   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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  1 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  6 17  1  0  0  0  0
  6 20  1  0  0  0  0
  7 13  1  0  0  0  0
  8 13  2  0  0  0  0
  8 18  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
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 15 16  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (166)
6521

>  <Formula> (166)
C11H9Cl2N3O3S

>  <MolWeight> (166)
334.17846

>  <Cat> (166)
S6555

>  <Name> (166)
AZD2098

>  <Synonyms> (166)
N/A

>  <Target> (166)
CCR

>  <Form> (166)
free base

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

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

$$$$

csChFnd80/04082409142D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 22  1  0  0  0  0
  2  9  1  0  0  0  0
  2 23  1  0  0  0  0
  3 10  1  0  0  0  0
  3 24  1  0  0  0  0
  4 17  1  0  0  0  0
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  5 20  1  0  0  0  0
  5 26  1  0  0  0  0
  6 16  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (167)
6530

>  <Formula> (167)
C20H22O6

>  <MolWeight> (167)
358.38508

>  <Cat> (167)
S6573

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

>  <Synonyms> (167)
N/A

>  <Target> (167)
TLR

>  <Form> (167)
free base

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

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

$$$$

csChFnd80/04082409142D

 18 19  0  0  0  0  0  0  0  0999 V2000
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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  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
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  2  6  1  0  0  0  0
  9 10  2  0  0  0  0
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M  END
>  <Mol_ID> (168)
6532

>  <Formula> (168)
C11H7IN2O4

>  <MolWeight> (168)
358.08875

>  <Cat> (168)
S6575

>  <Name> (168)
C-176

>  <Synonyms> (168)
N/A

>  <Target> (168)
STING

>  <Form> (168)
free base

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

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

$$$$

csChFnd80/04082409142D

 32 34  0  0  0  0  0  0  0  0999 V2000
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   10.9089    2.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (169)
6545

>  <Formula> (169)
C25H35NO5S

>  <MolWeight> (169)
461.6141

>  <Cat> (169)
S6610

>  <Name> (169)
GSK2981278

>  <Synonyms> (169)
N/A

>  <Target> (169)
ROR

>  <Form> (169)
free base

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

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

$$$$

csChFnd80/04082409142D

 22 24  0  0  0  0  0  0  0  0999 V2000
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897657-95-3

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

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>  <Formula> (171)
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>  <Synonyms> (171)
N/A

>  <Target> (171)
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954126-98-8

>  <URL> (171)
http://www.selleck.cn/products/danirixin.html

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>  <Formula> (172)
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>  <Cat> (172)
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>  <Name> (172)
AZD5069

>  <Synonyms> (172)
N/A

>  <Target> (172)
CXCR

>  <Form> (172)
Free Base

>  <CAS> (172)
878385-84-3

>  <URL> (172)
http://www.selleck.cn/products/azd-5069.html

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>  <Name> (173)
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>  <Synonyms> (173)
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>  <Target> (173)
Adenosine Receptor

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Free Base

>  <CAS> (173)
1202402-40-1

>  <URL> (173)
http://www.selleck.cn/products/cpi-444.html

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IDO/TDO

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Free Base

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914638-30-5

>  <URL> (176)
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473727-83-2

>  <URL> (177)
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>  <Mol_ID> (179)
6691

>  <Formula> (179)
C27H37Cl2N3O3

>  <MolWeight> (179)
522.50698

>  <Cat> (179)
S6719

>  <Name> (179)
E6446 dihydrochloride

>  <Synonyms> (179)
N/A

>  <Target> (179)
TLR

>  <Form> (179)
Dihydrochloride

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

>  <URL> (179)
https://www.selleckchem.com/products/e6446-dihydrochloride.html

$$$$

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>  <Mol_ID> (180)
6699

>  <Formula> (180)
C31H34N4O2

>  <MolWeight> (180)
494.62726

>  <Cat> (180)
S2234

>  <Name> (180)
BIBF-0775

>  <Synonyms> (180)
N/A

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

>  <Form> (180)
Free Base

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

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

$$$$

csChFnd80/04082409142D

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M  END
>  <Mol_ID> (181)
6710

>  <Formula> (181)
C17H17N3O

>  <MolWeight> (181)
279.33638

>  <Cat> (181)
S6652

>  <Name> (181)
H-151

>  <Synonyms> (181)
N/A

>  <Target> (181)
STING

>  <Form> (181)
Free Base

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

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

$$$$

csChFnd80/04082409142D

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M  END
>  <Mol_ID> (182)
6711

>  <Formula> (182)
C20H31N3O

>  <MolWeight> (182)
329.47964

>  <Cat> (182)
S6654

>  <Name> (182)
SRI-011381

>  <Synonyms> (182)
N/A

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

>  <Form> (182)
Free Base

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

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

$$$$

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M  END
>  <Mol_ID> (183)
6721

>  <Formula> (183)
C17H10N2O5

>  <MolWeight> (183)
322.2717

>  <Cat> (183)
S6667

>  <Name> (183)
STING inhibitor C-178

>  <Synonyms> (183)
N/A

>  <Target> (183)
STING

>  <Form> (183)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 32 34  0  0  0  0  0  0  0  0999 V2000
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 27 28  1  0  0  0  0
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 26 29  1  0  0  0  0
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 17 20  1  0  0  0  0
 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (184)
6792

>  <Formula> (184)
C19H14BF4N3O4S

>  <MolWeight> (184)
467.2017728

>  <Cat> (184)
S8947

>  <Name> (184)
SX-682

>  <Synonyms> (184)
N/A

>  <Target> (184)
CXCR

>  <Form> (184)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  1  6  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (185)
6805

>  <Formula> (185)
C20H13FN4O2

>  <MolWeight> (185)
360.3412232

>  <Cat> (185)
S5183

>  <Name> (185)
PD 169316

>  <Synonyms> (185)
N/A

>  <Target> (185)
Enterovirus,p38 MAPK,TGF-beta/Smad

>  <Form> (185)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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M  END
>  <Mol_ID> (186)
6819

>  <Formula> (186)
C16H11N3O3

>  <MolWeight> (186)
293.27684

>  <Cat> (186)
S6784

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

>  <Synonyms> (186)
N/A

>  <Target> (186)
STAT

>  <Form> (186)
Free Base

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

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

$$$$

csChFnd80/04082409142D

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  6  7  2  0  0  0  0
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  8 11  1  0  0  0  0
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  9 13  1  0  0  0  0
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M  END
>  <Mol_ID> (187)
6832

>  <Formula> (187)
C20H13F2N3

>  <MolWeight> (187)
333.3341264

>  <Cat> (187)
S6807

>  <Name> (187)
TA-02

>  <Synonyms> (187)
N/A

>  <Target> (187)
p38 MAPK,TGF-beta/Smad

>  <Form> (187)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 29 32  0  0  0  0  0  0  0  0999 V2000
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   10.4812    3.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 21  1  0  0  0  0
  4 12  2  0  0  0  0
  5 19  2  0  0  0  0
  6 26  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 19  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 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
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 26  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (188)
6851

>  <Formula> (188)
C21H16ClFN2O3S

>  <MolWeight> (188)
430.8797432

>  <Cat> (188)
S8954

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

>  <Synonyms> (188)
N/A

>  <Target> (188)
IFN,STING

>  <Form> (188)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    3.6373    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3002    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  1  0  0  0
  8 11  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
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 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
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 18 20  2  0  0  0  0
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M  END
>  <Mol_ID> (189)
6859

>  <Formula> (189)
C18H18N2O5

>  <MolWeight> (189)
342.34592

>  <Cat> (189)
S0129

>  <Name> (189)
SB-297006

>  <Synonyms> (189)
N/A

>  <Target> (189)
CCR

>  <Form> (189)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 34 37  0  0  0  0  0  0  0  0999 V2000
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    2.9374    6.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6618   11.4737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8789   12.6003    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
  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
  7 17  1  0  0  0  0
  7 20  1  0  0  0  0
  8 19  1  0  0  0  0
  8 31  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  2  0  0  0  0
 10 31  2  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
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 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
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 16 22  1  0  0  0  0
 17 27  1  0  0  0  0
 18 25  2  0  0  0  0
 19 26  2  0  0  0  0
 20 21  2  0  0  0  0
 20 30  1  0  0  0  0
 22 28  2  0  0  0  0
 25 26  1  0  0  0  0
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 32 33  1  0  0  0  0
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M  END
>  <Mol_ID> (190)
6882

>  <Formula> (190)
C24H28N6O3S

>  <MolWeight> (190)
480.58252

>  <Cat> (190)
S0487

>  <Name> (190)
Sulfatinib

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

>  <Target> (190)
CSF-1R,FGFR,VEGFR

>  <Form> (190)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  5 10  2  0  0  0  0
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 10 16  1  0  0  0  0
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M  END
>  <Mol_ID> (191)
6884

>  <Formula> (191)
C14H10BrNOS

>  <MolWeight> (191)
320.2043

>  <Cat> (191)
S0523

>  <Name> (191)
SB 4

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

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

>  <Form> (191)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 34 37  0  0  0  0  0  0  0  0999 V2000
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N/A

>  <Target> (193)
TGF-beta/Smad

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Free Base

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

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

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6936

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CCR

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free base

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1286279-29-5

>  <URL> (194)
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>  <Synonyms> (195)
N/A

>  <Target> (195)
Interleukins,PD-1/PD-L1,ROR

>  <Form> (195)
free base

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

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

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>  <Synonyms> (196)
N/A

>  <Target> (196)
Epoxide Hydrolase,Interleukins,MMP,p38 MAPK,TGF-beta/Smad,TNF-alpha

>  <Form> (196)
free base

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

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

$$$$

csChFnd80/04082409142D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  3  6  1  0  0  0  0
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  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
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  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
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 10 13  2  0  0  0  0
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 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (197)
6993

>  <Formula> (197)
C17H17N3O

>  <MolWeight> (197)
279.33638

>  <Cat> (197)
S0777

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

>  <Synonyms> (197)
Ewha-18278 free base

>  <Target> (197)
CCR,Interleukins,NADPH-oxidase,TNF-alpha

>  <Form> (197)
free base

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

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

$$$$

csChFnd80/04082409142D

 35 37  0  0  0  0  0  0  0  0999 V2000
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   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8238    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (198)
6997

>  <Formula> (198)
C28H29NO6

>  <MolWeight> (198)
475.53296

>  <Cat> (198)
S0818

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

>  <Synonyms> (198)
N/A

>  <Target> (198)
STAT

>  <Form> (198)
free base

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

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

$$$$

csChFnd80/04082409142D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2124    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
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  9 10  1  0  0  0  0
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 11  7  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
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 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
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 23 24  2  0  0  0  0
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M  END
>  <Mol_ID> (199)
6999

>  <Formula> (199)
C15H8F2LiN5O3

>  <MolWeight> (199)
351.1935264

>  <Cat> (199)
S0853

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

>  <Synonyms> (199)
N/A

>  <Target> (199)
STING

>  <Form> (199)
free base

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

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

$$$$

csChFnd80/04082409142D

 40 43  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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 10  5  1  0  0  0  0
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  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 25 26  1  0  0  0  0
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 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  1 30  1  1  0  0  0
 10 31  1  1  0  0  0
  9 32  1  1  0  0  0
 12 33  1  1  0  0  0
 21 34  1  1  0  0  0
  2 35  1  6  0  0  0
  5 36  1  6  0  0  0
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M  END
>  <Mol_ID> (200)
7003

>  <Formula> (200)
C30H48O7

>  <MolWeight> (200)
520.69792

>  <Cat> (200)
S0949

>  <Name> (200)
Cucurbitacin IIb

>  <Synonyms> (200)
CuIIb, Dihydrocucurbitacin F, 25-deacetyl hemslecin A

>  <Target> (200)
Apoptosis related,ERK,I¦ÊB/IKK,JNK,NF-¦ÊB,STAT,TNF-alpha

>  <Form> (200)
free base

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

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

$$$$

csChFnd80/04082409142D

 12 12  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  6  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (201)
7013

>  <Formula> (201)
C10H14O

>  <MolWeight> (201)
150.21756

>  <Cat> (201)
S3205

>  <Name> (201)
Perillaldehyde

>  <Synonyms> (201)
Perilladehyde, Perillal, PAE, PA

>  <Target> (201)
AhR,CCR,Nrf2,ROS

>  <Form> (201)
free base

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

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

$$$$

csChFnd80/04082409142D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4250    5.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2126    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
  9  3  1  6  0  0  0
 10  4  1  1  0  0  0
 11  5  1  6  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (202)
7023

>  <Formula> (202)
C7H14O6

>  <MolWeight> (202)
194.18246

>  <Cat> (202)
S3223

>  <Name> (202)
L-Quebrachitol

>  <Synonyms> (202)
L-QCT

>  <Target> (202)
NF-¦ÊB,RUNX,TGF-beta/Smad,Wnt/beta-catenin

>  <Form> (202)
free base

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

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

$$$$

csChFnd80/04082409142D

 42 46  0  0  0  0  0  0  0  0999 V2000
    2.4207    8.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    6.9903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    9.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   11.1879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911   11.1879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6911   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786   13.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8993   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   14.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  1  0  0  0
  1  8  1  1  0  0  0
  3  9  1  1  0  0  0
  6 10  1  6  0  0  0
  2 11  1  6  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
  7 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  1  0  0  0
 33 32  1  1  0  0  0
 35 40  1  6  0  0  0
 37 41  1  6  0  0  0
 38 42  1  6  0  0  0
M  END
>  <Mol_ID> (203)
7054

>  <Formula> (203)
C27H30O15

>  <MolWeight> (203)
594.5181

>  <Cat> (203)
S3267

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

>  <Synonyms> (203)
Nicotiflorin, Nikotoflorin, Kaempferol 3-O-¦Â-rutinoside

>  <Target> (203)
Apoptosis related,Bcl-2,Caspase,JAK,STAT

>  <Form> (203)
free base

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

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

$$$$

csChFnd80/04082409142D

 19 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3119    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5223    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7328    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9432    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1536    4.8757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3660    4.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5785    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1552    6.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 11 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  1  6  0  0  0
M  END
>  <Mol_ID> (204)
7074

>  <Formula> (204)
C17H24O2

>  <MolWeight> (204)
260.37126

>  <Cat> (204)
S3292

>  <Name> (204)
Falcarindiol

>  <Synonyms> (204)
FAD, (3R,8S)-Falcarindiol, FaDOH

>  <Target> (204)
ERK,Interleukins,JNK,NOS,STAT,TNF-alpha

>  <Form> (204)
free base

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

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

$$$$

csChFnd80/04082409142D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 21  1  0  0  0  0
  2 13  1  0  0  0  0
  3 20  1  0  0  0  0
  4 20  2  0  0  0  0
  5  7  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  2  0  0  0  0
  9 15  1  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (205)
7095

>  <Formula> (205)
C16H15NO4

>  <MolWeight> (205)
285.2946

>  <Cat> (205)
S6597

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

>  <Synonyms> (205)
C29

>  <Target> (205)
TLR

>  <Form> (205)
free base

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

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

$$$$

csChFnd80/04082409142D

 37 42  0  0  0  0  0  0  0  0999 V2000
    5.7039    4.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7039    2.9168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    2.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1288    2.9168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1288    4.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    5.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3724    4.7494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    3.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3724    2.4842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1692    5.2536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997    6.5325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2074    6.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    3.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    4.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5338    4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5203    5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8679    5.5889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2303    4.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5826    3.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5725    4.8642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   24.3897    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    0.8217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  6  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
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M  END
>  <Mol_ID> (206)
7131

>  <Formula> (206)
C25H29N9O3

>  <MolWeight> (206)
503.55626

>  <Cat> (206)
S6910

>  <Name> (206)
Preladenant

>  <Synonyms> (206)
Privadenant, SCH 420814, MK-3814

>  <Target> (206)
Adenosine Receptor

>  <Form> (206)
free base

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

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

$$$$

csChFnd80/04082409142D

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 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  6  0  0  0
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 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
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M  END
>  <Mol_ID> (207)
7138

>  <Formula> (207)
C41H52N4O4S

>  <MolWeight> (207)
696.94098

>  <Cat> (207)
S8512

>  <Name> (207)
Cenicriviroc (TAK-652)

>  <Synonyms> (207)
CVC, TBR-652

>  <Target> (207)
CCR,HIV

>  <Form> (207)
free base

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

>  <URL> (207)
http://www.selleckchem.com/products/cenicriviroc.html

$$$$

csChFnd80/04082409142D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
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M  END
>  <Mol_ID> (208)
7164

>  <Formula> (208)
C15H11FN2

>  <MolWeight> (208)
238.2596432

>  <Cat> (208)
S8997

>  <Name> (208)
680C91

>  <Synonyms> (208)
N/A

>  <Target> (208)
IDO/TDO

>  <Form> (208)
free base

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

>  <URL> (208)
http://www.selleckchem.com/products/680c91.html

$$$$

csChFnd80/04082409142D

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M  END
>  <Mol_ID> (209)
7181

>  <Formula> (209)
C97H144FN33O19S2

>  <MolWeight> (209)
2159.5193632

>  <Cat> (209)
S9665

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

>  <Synonyms> (209)
BKT140, TF 14016, 4-fluorobenzoyl, 4F-benzoyl-TN14003, T140

>  <Target> (209)
Apoptosis related,Bcl-2,CDK,CXCR,ERK,MicroRNA

>  <Form> (209)
free base

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

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

$$$$

csChFnd80/04082409142D

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M  END
>  <Mol_ID> (210)
7205

>  <Formula> (210)
C14H14ClNS

>  <MolWeight> (210)
263.78566

>  <Cat> (210)
S0721

>  <Name> (210)
Ticlopidine

>  <Synonyms> (210)
Yuclid, Ticlopidinum, Ticlopidina,PCR 5332

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

>  <Form> (210)
Free Base

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

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

$$$$

csChFnd80/04082409142D

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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8071    3.2196    0.0000 O   0  5  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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 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
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (211)
7285

>  <Formula> (211)
C16H15FN2O4

>  <MolWeight> (211)
318.2997032

>  <Cat> (211)
S0153

>  <Name> (211)
SJ000291942

>  <Synonyms> (211)
N/A

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

>  <Form> (211)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    5.4894    7.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 19  1  0  0  0  0
  2  7  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
  8  5  2  0  0  0  0
M  END
>  <Mol_ID> (212)
7302

>  <Formula> (212)
C17H15NO2

>  <MolWeight> (212)
265.3065

>  <Cat> (212)
S0290

>  <Name> (212)
SU5204

>  <Synonyms> (212)
N/A

>  <Target> (212)
HER2,VEGFR

>  <Form> (212)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   12.0289    7.6043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6614    0.2887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1613    2.6614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.3043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2468    5.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4872    8.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6168    4.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2264    1.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0313    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 21  1  0  0  0  0
  2 14  2  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 27  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 11  2  0  0  0  0
  7 19  1  0  0  0  0
  8 16  1  0  0  0  0
  8 19  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  2  0  0  0  0
 13 15  1  0  0  0  0
 13 18  2  0  0  0  0
 15 17  2  0  0  0  0
 17 22  1  0  0  0  0
 17 24  1  0  0  0  0
 18 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 22 23  2  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (213)
7323

>  <Formula> (213)
C19H23N5O4

>  <MolWeight> (213)
385.41702

>  <Cat> (213)
S0494

>  <Name> (213)
SM 324405

>  <Synonyms> (213)
N/A

>  <Target> (213)
TLR

>  <Form> (213)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082   14.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207   12.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   12.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   14.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   15.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3386    2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 15 10  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 15  1  0  0  0  0
 12 19  1  0  0  0  0
 20 16  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 22 25  1  1  0  0  0
 21 26  1  1  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 23 27  1  6  0  0  0
M  END
>  <Mol_ID> (214)
7327

>  <Formula> (214)
C18H18ClIN6O4

>  <MolWeight> (214)
544.73079

>  <Cat> (214)
S0498

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

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

>  <Target> (214)
Adenosine Receptor

>  <Form> (214)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
  3  6  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
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 18 22  2  0  0  0  0
 17 19  2  0  0  0  0
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 12 23  1  0  0  0  0
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M  END
>  <Mol_ID> (215)
7504

>  <Formula> (215)
C21H23NO3

>  <MolWeight> (215)
337.41222

>  <Cat> (215)
S6934

>  <Name> (215)
AMG-9810

>  <Synonyms> (215)
N/A

>  <Target> (215)
TLR,TRP Channel

>  <Form> (215)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    6.4646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    5.0695    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2578    6.4646    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
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 18 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
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 21 28  2  0  0  0  0
 11 29  1  6  0  0  0
M  END
>  <Mol_ID> (216)
7517

>  <Formula> (216)
C23H25FN2O3

>  <MolWeight> (216)
396.4546032

>  <Cat> (216)
S8919

>  <Name> (216)
LY-3381916

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

>  <Target> (216)
IDO/TDO

>  <Form> (216)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  1 19  1  0  0  0  0
  7  2  1  6  0  0  0
 14  3  1  1  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  4 18  1  0  0  0  0
  5 18  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 10  1  6  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
  6 24  1  1  0  0  0
M  END
>  <Mol_ID> (217)
7520

>  <Formula> (217)
C18H21FN2O2

>  <MolWeight> (217)
316.3699432

>  <Cat> (217)
S8957

>  <Name> (217)
Navoximod

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

>  <Target> (217)
IDO/TDO

>  <Form> (217)
Free Base

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

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

$$$$

csChFnd80/04082409142D

186188  0  0  0  0  0  0  0  0999 V2000
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867021-83-8

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129425-81-6

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>  <Cat> (220)
S9730

>  <Name> (220)
CU-CPT9a

>  <Synonyms> (220)
N/A

>  <Target> (220)
TLR

>  <Form> (220)
Free Base

>  <CAS> (220)
2165340-32-7

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

$$$$

csChFnd80/04082409142D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.9652    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.2189    2.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1887    2.8496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5072    0.7244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5919    2.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7941    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3626    2.1718    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0099    2.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3626    0.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4313    2.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2189    0.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9406    2.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714    2.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6421    2.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4308    0.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9406    0.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5072    2.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714    4.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    2.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4868    5.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    4.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  4 17  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (221)
7552

>  <Formula> (221)
C18H26ClN3

>  <MolWeight> (221)
319.87214

>  <Cat> (221)
S6999

>  <Name> (221)
Chloroquine (NSC-187208)

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

>  <Target> (221)
Autophagy,COVID-19,HIV Protease,TLR

>  <Form> (221)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 40 44  0  0  0  0  0  0  0  0999 V2000
    7.2578    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    8.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   10.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   12.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   13.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   12.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0453    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2040    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115   10.4806    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3115   13.2757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198   12.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280   13.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404   12.5757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529   13.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529   14.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404   15.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280   14.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  1 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  2  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
M  END
>  <Mol_ID> (222)
7579

>  <Formula> (222)
C29H29ClN6O4

>  <MolWeight> (222)
561.03136

>  <Cat> (222)
S9786

>  <Name> (222)
BDTX-189

>  <Synonyms> (222)
N/A

>  <Target> (222)
EGFR,HER2,RIP kinase

>  <Form> (222)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 36 37  0  0  0  0  0  0  0  0999 V2000
   12.1308    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    9.8784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    9.8784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5515    1.3976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    8.4339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    7.7315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   12.6195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    5.6388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7262    8.4850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7182    4.1928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9947    6.3072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332   11.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   14.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9947    7.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9183    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1308    4.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1308    1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3433    3.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    5.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3432    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    6.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  4 35  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 29  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 21  1  0  0  0  0
  9 29  1  0  0  0  0
 10 24  1  0  0  0  0
 10 27  2  0  0  0  0
 11 26  1  0  0  0  0
 11 28  1  0  0  0  0
 12 26  2  0  0  0  0
 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 34  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 35  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
M  END
>  <Mol_ID> (223)
7585

>  <Formula> (223)
C24H27Cl3FN5O3

>  <MolWeight> (223)
558.8602832

>  <Cat> (223)
S0711

>  <Name> (223)
Canertinib dihydrochloride

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

>  <Target> (223)
EGFR

>  <Form> (223)
Dihydrochloride

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

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

$$$$

csChFnd80/04082409142D

 44 48  0  0  0  0  0  0  0  0999 V2000
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    8.4868    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3364    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7613    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
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  1  8  1  0  0  0  0
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 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
 31 32  1  0  0  0  0
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 34 27  2  0  0  0  0
 31 28  2  0  0  0  0
 29 35  2  0  0  0  0
 36 37  1  0  0  0  0
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 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 36 41  2  0  0  0  0
 43 44  1  0  0  0  0
 42 43  1  0  0  0  0
 39 42  1  0  0  0  0
 30 36  1  0  0  0  0
 23 25  1  0  0  0  0
 10 23  1  0  0  0  0
M  END
>  <Mol_ID> (224)
7612

>  <Formula> (224)
C32H28F3N5O4

>  <MolWeight> (224)
603.5910296

>  <Cat> (224)
S8682

>  <Name> (224)
AMG 487

>  <Synonyms> (224)
N/A

>  <Target> (224)
CXCR

>  <Form> (224)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 31 33  0  0  0  0  0  0  0  0999 V2000
   13.6674    4.6874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    8.8874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9587    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    6.0874    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    4.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    5.1584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8770    6.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    1.8874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    1.8874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    5.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    6.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0300    2.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    6.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    6.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674    6.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    8.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8798    6.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674    8.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8798    8.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 22  1  0  0  0  0
 23  5  1  6  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 18  2  0  0  0  0
  9 21  2  0  0  0  0
  9 24  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (225)
7712

>  <Formula> (225)
C21H23Cl3FN5O

>  <MolWeight> (225)
486.7976232

>  <Cat> (225)
S5190

>  <Name> (225)
Crizotinib hydrochloride

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

>  <Target> (225)
ALK,Autophagy,c-Met,ROS1

>  <Form> (225)
Hydrochloride

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

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

$$$$

csChFnd80/04082409142D

 26 31  0  0  0  0  0  0  0  0999 V2000
    4.7250    2.8918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6281    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6293    2.5752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6293    0.3220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3597    2.1777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5099    2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3313    0.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1685    2.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7408    1.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5047    0.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    2.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0109    2.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3820    0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7910    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9347    2.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500    2.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6281    2.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3597    0.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8798    2.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8798    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0922    2.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0922    0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3046    2.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  2 19  1  0  0  0  0
  2 21  1  0  0  0  0
  3 24  1  0  0  0  0
  3 26  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (226)
7768

>  <Formula> (226)
C21H27NO4

>  <MolWeight> (226)
357.44338

>  <Cat> (226)
S3479

>  <Name> (226)
R243

>  <Synonyms> (226)
N/A

>  <Target> (226)
CCR

>  <Form> (226)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 26 27  0  0  0  0  0  0  0  0999 V2000
   12.1435    6.2852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2028    0.0078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2036    4.1751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9857    6.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    4.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3540    4.1868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2776    2.0977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5622    4.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7793    4.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1435    4.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9857    4.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  2  0  0  0  0
  2 22  1  0  0  0  0
  3 24  1  0  0  0  0
  4 24  2  0  0  0  0
  5 26  1  0  0  0  0
  6 26  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 24  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 26  1  0  0  0  0
 22 25  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (227)
7779

>  <Formula> (227)
C17H15N3O6

>  <MolWeight> (227)
357.3175

>  <Cat> (227)
S4842

>  <Name> (227)
Balsalazide

>  <Synonyms> (227)
Colazal, Giazo

>  <Target> (227)
Immunology & Inflammation related,Interleukins,STAT

>  <Form> (227)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 19 22  0  0  0  0  0  0  0  0999 V2000
    3.7497    2.5266    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3490    3.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7839    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9668    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1087    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1087    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3211    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3211    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5336    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5336    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7839    2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 13  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (228)
7790

>  <Formula> (228)
C14H13N3OS

>  <MolWeight> (228)
271.33752

>  <Cat> (228)
S0981

>  <Name> (228)
BD750

>  <Synonyms> (228)
N/A

>  <Target> (228)
JAK,STAT

>  <Form> (228)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.4186    5.3989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720    3.9869    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1282    3.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1282    1.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107    0.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6033    1.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0370    2.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5597    3.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 11  1  0  0  0  0
 13 14  2  0  0  0  0
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 13  3  1  0  0  0  0
 12  4  1  0  0  0  0
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 13 18  1  0  0  0  0
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M  END
>  <Mol_ID> (229)
7837

>  <Formula> (229)
C15H16O3

>  <MolWeight> (229)
244.28574

>  <Cat> (229)
E0011

>  <Name> (229)
Linderalactone

>  <Synonyms> (229)
N/A

>  <Target> (229)
Bcl-2,JAK,STAT

>  <Form> (229)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  8 14  1  0  0  0  0
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 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
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 14 22  2  0  0  0  0
 19 22  1  0  0  0  0
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M  END
>  <Mol_ID> (230)
7858

>  <Formula> (230)
C16H24N2O4

>  <MolWeight> (230)
308.37276

>  <Cat> (230)
S0292

>  <Name> (230)
MSX-127

>  <Synonyms> (230)
NSC23026

>  <Target> (230)
CXCR

>  <Form> (230)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 40 46  0  0  0  0  0  0  0  0999 V2000
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   12.1217    4.8710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2987    3.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4530    3.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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  2  6  1  0  0  0  0
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 18 24  1  0  0  0  0
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 20 26  2  0  0  0  0
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 27 35  2  0  0  0  0
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 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
M  END
>  <Mol_ID> (231)
7859

>  <Formula> (231)
C36H26N4

>  <MolWeight> (231)
514.61844

>  <Cat> (231)
S0293

>  <Name> (231)
MSX-130

>  <Synonyms> (231)
N/A

>  <Target> (231)
CXCR

>  <Form> (231)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (232)
7882

>  <Formula> (232)
C13H9F6NO3S2

>  <MolWeight> (232)
405.3358792

>  <Cat> (232)
S2969

>  <Name> (232)
SR3335

>  <Synonyms> (232)
ML-176

>  <Target> (232)
ROR

>  <Form> (232)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (233)
7895

>  <Formula> (233)
C14H12N4O

>  <MolWeight> (233)
252.27128

>  <Cat> (233)
S4461

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

>  <Synonyms> (233)
CPD1578

>  <Target> (233)
TLR

>  <Form> (233)
Free Base

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

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

$$$$

csChFnd80/04082409142D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    6.1573    0.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7325    0.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    2.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    3.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    3.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1573    9.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    9.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7325   11.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449   11.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449   13.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
  4 29  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  6 19  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (234)
7942

>  <Formula> (234)
C21H22ClF3N2O2

>  <MolWeight> (234)
426.8597896

>  <Cat> (234)
S7538

>  <Name> (234)
RS-102895 Hydrochloride

>  <Synonyms> (234)
RS-102895 HCl

>  <Target> (234)
5-HT Receptor,Adrenergic Receptor,CCR

>  <Form> (234)
Hydrochloride

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

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

$$$$
2-(1H-Imidazol-1-yl)-N-[trans-4-(2-methoxyethoxy)cyclohexyl]-5H-pyrrolo[3,2-d...
csChFnd80/04082409142D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   16.4818    7.7045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0218    7.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9317    3.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0918    3.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0918    6.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8618    5.0372    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  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  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 23  2  1  1  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
 28  4  1  6  0  0  0
M  END
>  <Mol_ID> (235)
9705

>  <Formula> (235)
C19H24N6O3

>  <MolWeight> (235)
384.43226

>  <Cat> (235)
E1305

>  <Name> (235)
RBN013209

>  <Target> (235)
CD markers

>  <Form> (235)
free base

>  <CAS> (235)
2597933-17-8

>  <URL> (235)
https://www.selleckchem.com/products/rbn013209.html

$$$$
N-[trans-4-(2-Methoxyethoxy)cyclohexyl]-6-(5-thiazolyl)-1H-pyrrolo[2,3-b]pyri...
csChFnd80/04082409142D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.4717    3.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417    5.0372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0218    7.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5517    3.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5517    6.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0918    3.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0918    6.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8618    5.0372    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 23  2  1  6  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
 28  4  1  1  0  0  0
M  END
>  <Mol_ID> (236)
9708

>  <Formula> (236)
C20H24N4O3S

>  <MolWeight> (236)
400.49456

>  <Cat> (236)
E1276

>  <Name> (236)
MK-0159

>  <Synonyms> (236)
Compound 37

>  <Target> (236)
CD markers

>  <Form> (236)
free base

>  <CAS> (236)
2641484-61-7

>  <URL> (236)
https://www.selleckchem.com/products/mk-0159.html

$$$$
3-Thiophenamine, 4-[(4-chlorophenyl)sulfonyl]tetrahydro-N-(2-methylpropyl)-, ...
csChFnd80/04082409142D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.3103    4.0865    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6091    8.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6451    7.1665    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9766    3.3165    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1 17  1  0  0  0  0
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 10 16  2  0  0  0  0
 11 22  1  0  0  0  0
 12  1  1  1  0  0  0
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 13  4  1  6  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (237)
9714

>  <Formula> (237)
C14H20ClNO4S2

>  <MolWeight> (237)
365.8959

>  <Cat> (237)
E1220

>  <Name> (237)
CBR-470-1

>  <Target> (237)
phosphoglycerate kinase

>  <Form> (237)
free base

>  <CAS> (237)
2416095-06-0

>  <URL> (237)
https://www.selleckchem.com/products/cbr-470-1.html

$$$$
N-[[[(1S)-3-Amino-1-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-...
csChFnd80/04082409142D

 25 25  0  0  1  0  0  0  0  0999 V2000
    6.9300    4.0011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    8.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
  2  4  1  0  0  0  0
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  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
 10  6  1  6  0  0  0
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 11 13  1  1  0  0  0
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 17 18  1  0  0  0  0
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 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (238)
9735

>  <Formula> (238)
C12H20N6O7

>  <MolWeight> (238)
360.3232

>  <Cat> (238)
S8473

>  <Name> (238)
CA-170 (AUPM-170)

>  <Synonyms> (238)
AUPM-170, PD-1-IN-1

>  <Target> (238)
PD-1/PD-L1

>  <Form> (238)
Free base

>  <CAS> (238)
1673534-76-3

>  <URL> (238)
https://www.selleckchem.com/products/ca-170.html

$$$$
3,3-Dimethyl-N-[6-methyl-5-[[2-(1-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-...
csChFnd80/04082409142D

 31 34  0  0  0  0  0  0  0  0999 V2000
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   20.9894    5.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0181    6.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0170    4.1618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9563    3.9845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2155    2.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6866    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3530    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6866    2.6218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0193    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3530    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0193    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0205    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1814    6.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4273    4.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3518    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  1 21  1  0  0  0  0
  2 20  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  7 29  2  0  0  0  0
  8 31  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (239)
9853

>  <Formula> (239)
C22H24N6O3

>  <MolWeight> (239)
420.46436

>  <Cat> (239)
E1727

>  <Name> (239)
Pimicotinib

>  <Synonyms> (239)
ABSK021

>  <Target> (239)
CSF-1R

>  <Form> (239)
Free base

>  <CAS> (239)
2253123-16-7

>  <URL> (239)
https://www.selleckchem.com/products/pimicotinib.html

$$$$
(2R)-2-[[4-Amino-5-(4-methoxybenzoyl)-2-thiazolyl](4-fluorophenyl)amino]propa...
csChFnd80/04082409142D

 29 31  0  0  1  0  0  0  0  0999 V2000
    6.1601    4.0010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9301    2.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1601    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4701    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1888    7.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3497    9.1601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1725    4.0076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3038    6.7416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4482    7.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8501    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8501    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4347    6.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8415    7.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2737    5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875    6.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5196    4.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9264    4.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  6  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  7 24  1  0  0  0  0
  9 17  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
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 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (240)
9860

>  <Formula> (240)
C20H19FN4O3S

>  <MolWeight> (240)
414.4532632

>  <Cat> (240)
E1692

>  <Name> (240)
BAY 2965501

>  <Target> (240)
Others

>  <Form> (240)
Free base

>  <CAS> (240)
2732902-08-6

>  <URL> (240)
https://www.selleckchem.com/products/bay-2965501.html

$$$$
3-[1-[[[1-(2-Benzofuranylmethyl)-1H-indol-7-yl]carbonyl]amino]cyclopropyl]bic...
csChFnd80/04082409142D

 33 39  0  0  0  0  0  0  0  0999 V2000
    6.1667    5.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5005    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8342    5.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    7.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7748    4.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    7.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894    6.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7674    8.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    7.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5065    7.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4256    3.5402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4391    5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7593    4.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5835    6.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2239    3.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 12  1  0  0  0  0
  7 19  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
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 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <Mol_ID> (241)
9904

>  <Formula> (241)
C27H24N2O4

>  <MolWeight> (241)
440.49046

>  <Cat> (241)
E1477

>  <Name> (241)
EP4-IN-1

>  <Target> (241)
Prostaglandin Receptor

>  <Form> (241)
Free base

>  <CAS> (241)
2455480-28-9

>  <URL> (241)
https://www.selleckchem.com/products/kf-0210.html

$$$$
Benzamide, N-hydroxy-4-[[5-(2-thienyl)-1H-tetrazol-1-yl]methyl]-
csChFnd80/04082409142D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.4902    3.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6503    3.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
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  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (242)
9906

>  <Formula> (242)
C13H11N5O2S

>  <MolWeight> (242)
301.32374

>  <Cat> (242)
E1469

>  <Name> (242)
ITF3756

>  <Target> (242)
HDAC6?selective inhibitors

>  <Form> (242)
Free base

>  <CAS> (242)
2247608-27-9

>  <URL> (242)
https://www.selleckchem.com/products/itf3756.html

$$$$
6-[[3,5-Bis(1,1-dimethylethyl)phenyl](2-methylpropyl)amino]-3-pyridinecarboxy...
csChFnd80/04082409142D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.6684    3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    8.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009   10.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5636    5.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1036    2.5164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    8.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    6.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3356    3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (243)
9907

>  <Formula> (243)
C24H34N2O2

>  <MolWeight> (243)
382.53896

>  <Cat> (243)
E1468

>  <Name> (243)
MSU-42011

>  <Target> (243)
Retinoid Receptor

>  <Form> (243)
free base

>  <CAS> (243)
2456434-36-7

>  <URL> (243)
https://www.selleckchem.com/products/msu-42011.html

$$$$
2-[[5-[(2-Methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetamide
csChFnd80/04082409142D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.3900    4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    5.6762    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9526    5.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1985    5.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0376    7.4866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6054    5.3286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8353    5.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000    4.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8353    2.7551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000    3.2309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3594    6.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3898    7.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    7.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9139    9.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3771    8.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4077    9.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (244)
9909

>  <Formula> (244)
C18H18N4O2S

>  <MolWeight> (244)
354.42612

>  <Cat> (244)
E1436

>  <Name> (244)
A2ti-2

>  <Target> (244)
Anti-infection

>  <Form> (244)
free base

>  <CAS> (244)
482646-13-9

>  <URL> (244)
https://www.selleckchem.com/products/a2ti-2.html

$$$$
2-[[4-(2-Ethylphenyl)-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl]thio]...
csChFnd80/04082409142D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.3900    4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    5.6762    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9526    5.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1985    5.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0376    7.4866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6054    5.3286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8962    7.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9267    8.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8353    5.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000    4.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8353    2.7551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000    3.2309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3594    6.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3898    7.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    7.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9139    9.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3771    8.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4077    9.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (245)
9916

>  <Formula> (245)
C20H22N4O2S

>  <MolWeight> (245)
382.47928

>  <Cat> (245)
E1421

>  <Name> (245)
A2ti-1

>  <Target> (245)
Anti-infection

>  <Form> (245)
free base

>  <CAS> (245)
570390-00-0

>  <URL> (245)
https://www.selleckchem.com/products/a2ti-1.html

$$$$
N-[(2-Amino-6-fluorophenyl)methyl]-N-[2-(tetrahydro-1,1-dioxido-2H-thiopyran-...
csChFnd80/04082409142D

 31 33  0  0  0  0  0  0  0  0999 V2000
    4.9572    8.1680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1872    6.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1872    9.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4972    8.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6471    6.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2672    9.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6641    7.7351    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9187   12.5700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3143    1.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8459    1.3706    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1534    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828    1.6926    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.0671    8.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0671   10.4916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9572    5.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4889    5.3396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4752    3.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8091    3.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7914   10.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5300    9.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6573   11.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1343    9.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616   12.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8072    9.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5772   10.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5772    8.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1173   10.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1173    8.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8873    9.5016    0.0000 S   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  2  0  0  0  0
  2 15  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  6 26  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
 13 31  2  0  0  0  0
 14 31  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (246)
9928

>  <Formula> (246)
C19H22F4N4O3S

>  <MolWeight> (246)
462.4615928

>  <Cat> (246)
E1328

>  <Name> (246)
TP-1454

>  <Target> (246)
PKM

>  <Form> (246)
free base

>  <CAS> (246)
2490276-04-3

>  <URL> (246)
https://www.selleckchem.com/products/tp-1454.html

$$$$
(5S,5â²S)-5,5â²-[(2,2â²-Dichloro[1,1â²-biphenyl]-3,3â²-diyl)bis[(3-methoxy-5
csChFnd80/04082409142D

 48 53  0  0  1  0  0  0  0  0999 V2000
   12.4986    6.6684    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.8886    5.3347    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8786    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6486    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5086   10.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7386   12.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3386    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0286    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0486    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8186    6.6684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3586    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3873    3.0410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8086    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2686    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5786    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4986    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8086    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2686    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5786    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1186    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (247)
9930

>  <Formula> (247)
C34H36Cl2N8O4

>  <MolWeight> (247)
691.60684

>  <Cat> (247)
E1322

>  <Name> (247)
GS-4224

>  <Synonyms> (247)
Evixapodlin, PD-1/PD-L1-IN 7

>  <Target> (247)
PD-1/PD-L1

>  <Form> (247)
free base

>  <CAS> (247)
2374856-75-2

>  <URL> (247)
https://www.selleckchem.com/products/gs-4224.html

$$$$
2,6-Dichloro-N-[1,5-dimethyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]-4-[2-(1-pipe...
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (248)
9936

>  <Formula> (248)
C24H30Cl2N6O2S

>  <MolWeight> (248)
537.505

>  <Cat> (248)
E1217

>  <Name> (248)
PCLX-001 (DDD86481)

>  <Synonyms> (248)
DDD86481

>  <Target> (248)
Others

>  <Form> (248)
Free base

>  <CAS> (248)
1215011-08-7

>  <URL> (248)
https://www.selleckchem.com/products/pclx-001-ddd86481.html

$$$$
N-Acetyl-L-tryptophyl-6-diazo-5-oxo-L-norleucine 1-methylethyl ester
csChFnd80/04082409142D

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M  END
>  <Mol_ID> (249)
9958

>  <Formula> (249)
C22H27N5O5

>  <MolWeight> (249)
441.48028

>  <Cat> (249)
E1203

>  <Name> (249)
Sirpiglenastat

>  <Synonyms> (249)
DRP-104

>  <Target> (249)
Glutaminase

>  <Form> (249)
Free base

>  <CAS> (249)
2079939-05-0

>  <URL> (249)
https://www.selleckchem.com/products/sirpiglenastat.html

$$$$
