untitled.cdx
csChFnd80/01162513232D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.0404    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 15 10  1  0  0  0  0
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 25 20  1  0  0  0  0
 24 26  1  0  0  0  0
 21 27  1  0  0  0  0
  7 28  1  0  0  0  0
M  END
>  <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

$$$$
untitled.cdx
csChFnd80/01162513232D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   12.8642    4.7671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 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
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 17 12  1  0  0  0  0
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 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (2)
4

>  <Formula> (2)
C22H18N4OS

>  <MolWeight> (2)
386.46952

>  <Cat> (2)
S1005

>  <Name> (2)
Axitinib (AG 013736)

>  <Synonyms> (2)
AG 013736

>  <Target> (2)
c-Kit,PDGFR,VEGFR

>  <Form> (2)
free base

>  <CAS> (2)
319460-85-0

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

$$$$
untitled.cdx
csChFnd80/01162513232D

 38 43  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
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 27 22  1  0  0  0  0
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 30 35  1  0  0  0  0
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M  END
>  <Mol_ID> (3)
5

>  <Formula> (3)
C27H32ClN5O5

>  <MolWeight> (3)
542.02648

>  <Cat> (3)
S1006

>  <Name> (3)
Saracatinib (AZD0530)

>  <Synonyms> (3)
N/A

>  <Target> (3)
Autophagy,EGFR,Src

>  <Form> (3)
free base

>  <CAS> (3)
379231-04-6

>  <URL> (3)
http://selleckchem.com/products/AZD0530.html

$$$$
untitled.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (4)
7

>  <Formula> (4)
C31H33N5O4

>  <MolWeight> (4)
539.62482

>  <Cat> (4)
S1010

>  <Name> (4)
Nintedanib (BIBF 1120)

>  <Synonyms> (4)
Intedanib, Vargatef, Ofev

>  <Target> (4)
FGFR,PDGFR,Src,VEGFR

>  <Form> (4)
free base

>  <CAS> (4)
656247-17-5

>  <URL> (4)
http://selleckchem.com/products/BIBF1120.html

$$$$
untitled.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (5)
10

>  <Formula> (5)
C25H27FN4O3

>  <MolWeight> (5)
450.5052832

>  <Cat> (5)
S1017

>  <Name> (5)
Cediranib (AZD2171)

>  <Synonyms> (5)
NSC-732208

>  <Target> (5)
Autophagy,c-Kit,PDGFR,VEGFR

>  <Form> (5)
free base

>  <CAS> (5)
288383-20-0

>  <URL> (5)
http://selleckchem.com/products/Cediranib.html

$$$$
Dasatinib.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (6)
12

>  <Formula> (6)
C22H26ClN7O2S

>  <MolWeight> (6)
488.00554

>  <Cat> (6)
S1021

>  <Name> (6)
Dasatinib (BMS-354825)

>  <Synonyms> (6)
BMS-354825

>  <Target> (6)
Apoptosis related,Autophagy,Bcr-Abl,c-Kit,Src

>  <Form> (6)
free base

>  <CAS> (6)
302962-49-8

>  <URL> (6)
http://selleckchem.com/products/Dasatinib.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (7)
14

>  <Formula> (7)
C21H21FN6O

>  <MolWeight> (7)
392.4294432

>  <Cat> (7)
S1018

>  <Name> (7)
Dovitinib (TKI-258)

>  <Synonyms> (7)
CHIR-258

>  <Target> (7)
c-Kit,FGFR,FLT3,PDGFR,VEGFR

>  <Form> (7)
Citrate

>  <CAS> (7)
405169-16-6

>  <URL> (7)
http://selleckchem.com/products/CHIR-258.html

$$$$
untitled.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (8)
15

>  <Formula> (8)
C22H24ClFN4O3

>  <MolWeight> (8)
446.9023632

>  <Cat> (8)
S1025

>  <Name> (8)
Gefitinib (ZD1839)

>  <Synonyms> (8)
Iressa,ZD1839

>  <Target> (8)
Apoptosis related,Autophagy,EGFR

>  <Form> (8)
free base

>  <CAS> (8)
184475-35-2

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

$$$$
Imatinib Mesylate.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (9)
16

>  <Formula> (9)
C30H35N7O4S

>  <MolWeight> (9)
589.7084

>  <Cat> (9)
S1026

>  <Name> (9)
Imatinib (STI571) Mesylate

>  <Synonyms> (9)
Gleevec, Glivec, CGP-57148B,STI571

>  <Target> (9)
Autophagy,Bcr-Abl,c-Kit,PDGFR

>  <Form> (9)
Mesylate

>  <CAS> (9)
220127-57-1

>  <URL> (9)
http://selleckchem.com/products/Imatinib-Mesylate.html

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (10)
17

>  <Formula> (10)
C43H42ClFN4O10S3

>  <MolWeight> (10)
925.4607832

>  <Cat> (10)
S1028

>  <Name> (10)
Lapatinib (GW-572016) Ditosylate

>  <Synonyms> (10)
GW-572016

>  <Target> (10)
EGFR,HER2

>  <Form> (10)
Ditosylat

>  <CAS> (10)
388082-77-7

>  <URL> (10)
http://selleckchem.com/products/Lapatinib-Ditosylate.html

$$$$
untitled.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (11)
18

>  <Formula> (11)
C13H13N3O3

>  <MolWeight> (11)
259.26062

>  <Cat> (11)
S1029

>  <Name> (11)
Lenalidomide (CC-5013)

>  <Synonyms> (11)
CC-5013

>  <Target> (11)
Apoptosis related,Caspase,E3 Ligase ,E3 ligase Ligand,TNF-alpha,VEGFR

>  <Form> (11)
free base

>  <CAS> (11)
191732-72-6

>  <URL> (11)
https://www.selleckchem.com/products/lenalidomide-s1029.html

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/01162513232D

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    1.2124    7.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207   10.0698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331   12.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (12)
20

>  <Formula> (12)
C22H29N5O9P2

>  <MolWeight> (12)
569.441282

>  <Cat> (12)
S1032

>  <Name> (12)
Motesanib Diphosphate (AMG-706)

>  <Synonyms> (12)
N/A

>  <Target> (12)
c-Kit,PDGFR,VEGFR

>  <Form> (12)
Diphosphate

>  <CAS> (12)
857876-30-3

>  <URL> (12)
http://selleckchem.com/products/Motesanib-Diphosphate.html

$$$$
untitled.cdx
csChFnd80/01162513232D

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    0.0000    2.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7322    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (13)
22

>  <Formula> (13)
C21H24ClN7O2S

>  <MolWeight> (13)
473.97896

>  <Cat> (13)
S1035

>  <Name> (13)
Pazopanib HCl (GW786034 HCl)

>  <Synonyms> (13)
GW786034 HCl

>  <Target> (13)
Autophagy,c-Kit,CSF-1R,FGFR,PDGFR,VEGFR

>  <Form> (13)
Hydrochloride

>  <CAS> (13)
635702-64-6

>  <URL> (13)
http://selleckchem.com/products/Pazopanib-Hydrochloride.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (14)
28

>  <Formula> (14)
C28H24ClF3N4O6S

>  <MolWeight> (14)
637.0265696

>  <Cat> (14)
S1040

>  <Name> (14)
Sorafenib (BAY 43-9006) tosylate

>  <Synonyms> (14)
BAY 43-9006 tosylate,NSC-724772 tosylate

>  <Target> (14)
Apoptosis related,Autophagy,c-Kit,Ferroptosis,FGFR,FLT3,PDGFR,Raf,VEGFR

>  <Form> (14)
Tosylate

>  <CAS> (14)
475207-59-1

>  <URL> (14)
http://selleckchem.com/products/Sorafenib-Tosylate.html

$$$$

csChFnd80/01162513232D

 38 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (15)
30

>  <Formula> (15)
C26H33FN4O7

>  <MolWeight> (15)
532.5612232

>  <Cat> (15)
S1042

>  <Name> (15)
Sunitinib (SU11248) malate

>  <Synonyms> (15)
N/A

>  <Target> (15)
Apoptosis related,c-Kit,IRE1,Mitophagy,PDGFR,VEGFR

>  <Form> (15)
Malate

>  <CAS> (15)
341031-54-7

>  <URL> (15)
http://selleckchem.com/products/Sunitinib-Malate-(Sutent).html

$$$$
untitled.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (16)
32

>  <Formula> (16)
C23H28N8OS

>  <MolWeight> (16)
464.58642

>  <Cat> (16)
S1048

>  <Name> (16)
Tozasertib

>  <Synonyms> (16)
VX-680, MK-0457

>  <Target> (16)
Aurora Kinase,Autophagy,Bcr-Abl,FLT3

>  <Form> (16)
free base

>  <CAS> (16)
639089-54-6

>  <URL> (16)
http://selleckchem.com/products/VX-680(MK-0457).html

$$$$
untitled.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (17)
40

>  <Formula> (17)
C28H30N6OS

>  <MolWeight> (17)
498.6424

>  <Cat> (17)
S1064

>  <Name> (17)
Masitinib (AB1010)

>  <Synonyms> (17)
N/A

>  <Target> (17)
c-Kit,PDGFR

>  <Form> (17)
free base

>  <CAS> (17)
790299-79-5

>  <URL> (17)
http://selleckchem.com/products/Masitinib-(AB1010).html

$$$$
untitled.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (18)
42

>  <Formula> (18)
C22H16N4O3

>  <MolWeight> (18)
384.38744

>  <Cat> (18)
S1067

>  <Name> (18)
SB431542

>  <Synonyms> (18)
N/A

>  <Target> (18)
TGF-beta/Smad

>  <Form> (18)
free base

>  <CAS> (18)
301836-41-9

>  <URL> (18)
http://selleckchem.com/products/SB-431542.html

$$$$
NVP-AUY922 .cdx
csChFnd80/01162513232D

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    3.9218    9.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5451    5.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3784    3.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7478    3.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0770    4.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 16 12  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 27 22  1  0  0  0  0
 25 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 34  1  0  0  0  0
 34 29  1  0  0  0  0
M  END
>  <Mol_ID> (19)
43

>  <Formula> (19)
C26H31N3O5

>  <MolWeight> (19)
465.54144

>  <Cat> (19)
S1069

>  <Name> (19)
Luminespib (NVP-AUY922)

>  <Synonyms> (19)
AUY-922, VER-52296

>  <Target> (19)
Apoptosis related,Autophagy,HSP (HSP90),IGF-1R

>  <Form> (19)
free base

>  <CAS> (19)
747412-49-3

>  <URL> (19)
http://selleckchem.com/products/NVP-AUY922.html

$$$$
untitled.cdx
csChFnd80/01162513232D

 39 43  0  0  0  0  0  0  0  0999 V2000
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    1.2082    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2190    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.5214    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3496    2.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7496    2.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3373    2.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 16  1  0  0  0  0
 20 22  2  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
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 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 24  2  0  0  0  0
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 26 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
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 37 38  1  0  0  0  0
 38 32  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <Mol_ID> (20)
49

>  <Formula> (20)
C28H30ClN5O4S

>  <MolWeight> (20)
568.0869

>  <Cat> (20)
S1080

>  <Name> (20)
SU11274

>  <Synonyms> (20)
PKI-SU11274

>  <Target> (20)
Apoptosis related,Autophagy,c-Met

>  <Form> (20)
free base

>  <CAS> (20)
658084-23-2

>  <URL> (20)
http://selleckchem.com/products/SU11274.html

$$$$
Brivanib.cdx
csChFnd80/01162513232D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.5544    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7668    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    8.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    7.7575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    5.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    3.8249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    5.2249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7585    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  1  6  0  0  0
M  END
>  <Mol_ID> (21)
51

>  <Formula> (21)
C19H19FN4O3

>  <MolWeight> (21)
370.3775632

>  <Cat> (21)
S1084

>  <Name> (21)
Brivanib (BMS-540215)

>  <Synonyms> (21)
N/A

>  <Target> (21)
FGFR,VEGFR

>  <Form> (21)
free base

>  <CAS> (21)
649735-46-6

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

$$$$
NVP-ADW742.cdx
csChFnd80/01162513232D

 34 39  0  0  0  0  0  0  0  0999 V2000
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IGF-1R

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475488-23-4

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http://selleckchem.com/products/NVP-ADW742.html

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>  <Mol_ID> (23)
57

>  <Formula> (23)
C44H47F2N9O5S

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GSK1904529A

>  <Synonyms> (23)
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>  <Target> (23)
IGF-1R

>  <Form> (23)
free base

>  <CAS> (23)
1089283-49-7

>  <URL> (23)
http://selleckchem.com/products/GSK1904529A.html

$$$$
untitled.cdx
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>  <Mol_ID> (24)
58

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C19H16N8O

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>  <Cat> (24)
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PF-04217903

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N/A

>  <Target> (24)
c-Met

>  <Form> (24)
free base

>  <CAS> (24)
956905-27-4

>  <URL> (24)
http://selleckchem.com/products/PF-04217903.html

$$$$
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>  <Mol_ID> (25)
62

>  <Formula> (25)
C20H17Cl3N4

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Vatalanib (PTK787) 2HCl

>  <Synonyms> (25)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (25)
VEGFR

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Dihydrochloride

>  <CAS> (25)
212141-51-0

>  <URL> (25)
http://selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

$$$$
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M  END
>  <Mol_ID> (26)
69

>  <Formula> (26)
C26H30N6O3

>  <MolWeight> (26)
474.5548

>  <Cat> (26)
S1107

>  <Name> (26)
Danusertib (PHA-739358)

>  <Synonyms> (26)
N/A

>  <Target> (26)
Apoptosis related,Aurora Kinase,Autophagy,Bcr-Abl,c-RET,FGFR,Trk receptor

>  <Form> (26)
free base

>  <CAS> (26)
827318-97-8

>  <URL> (26)
http://selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
1.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (27)
72

>  <Formula> (27)
C34H34F2N4O6

>  <MolWeight> (27)
632.6537664

>  <Cat> (27)
S1111

>  <Name> (27)
Foretinib (GSK1363089)

>  <Synonyms> (27)
EXEL-2880, XL-880, GSK089

>  <Target> (27)
c-Kit,c-Met,FLT3,PDGFR,VEGFR

>  <Form> (27)
free base

>  <CAS> (27)
849217-64-7

>  <URL> (27)
http://selleckchem.com/products/XL880(GSK1363089,EXEL-2880).html

$$$$
untitled.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (28)
73

>  <Formula> (28)
C19H13F2N7

>  <MolWeight> (28)
377.3502264

>  <Cat> (28)
S1114

>  <Name> (28)
JNJ-38877605

>  <Synonyms> (28)
N/A

>  <Target> (28)
c-Met

>  <Form> (28)
free base

>  <CAS> (28)
943540-75-8

>  <URL> (28)
http://selleckchem.com/products/JNJ-38877605.html

$$$$
XL-184 free base.cdx
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>  <Mol_ID> (29)
80

>  <Formula> (29)
C28H24FN3O5

>  <MolWeight> (29)
501.5056632

>  <Cat> (29)
S1119

>  <Name> (29)
Cabozantinib (BMS-907351)

>  <Synonyms> (29)
XL184,BMS-907351

>  <Target> (29)
Apoptosis related,Axl,c-Met,VEGFR

>  <Form> (29)
Free Base

>  <CAS> (29)
849217-68-1

>  <URL> (29)
http://selleckchem.com/products/XL184.html

$$$$

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>  <Mol_ID> (30)
84

>  <Formula> (30)
C22H24FN5O4

>  <MolWeight> (30)
441.4554632

>  <Cat> (30)
S1138

>  <Name> (30)
Brivanib Alaninate (BMS-582664)

>  <Synonyms> (30)
N/A

>  <Target> (30)
FGFR,VEGFR

>  <Form> (30)
Alaninate

>  <CAS> (30)
649735-63-7

>  <URL> (30)
http://selleckchem.com/products/Brivanib-alaninate.html

$$$$
CP-724,714.cdx
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>  <Mol_ID> (31)
97

>  <Formula> (31)
C27H27N5O3

>  <MolWeight> (31)
469.53498

>  <Cat> (31)
S1167

>  <Name> (31)
CP-724714

>  <Synonyms> (31)
N/A

>  <Target> (31)
EGFR,HER2

>  <Form> (31)
free base

>  <CAS> (31)
537705-08-1

>  <URL> (31)
http://selleckchem.com/products/CP-724714.html

$$$$
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>  <Mol_ID> (32)
99

>  <Formula> (32)
C24H25ClN6O2

>  <MolWeight> (32)
464.9473

>  <Cat> (32)
S1170

>  <Name> (32)
WZ3146

>  <Synonyms> (32)
N/A

>  <Target> (32)
EGFR

>  <Form> (32)
free base

>  <CAS> (32)
1214265-56-1

>  <URL> (32)
http://selleckchem.com/products/WZ3146.html

$$$$
cyc116.cdx
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N/A

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Aurora Kinase,VEGFR

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free base

>  <CAS> (33)
693228-63-6

>  <URL> (33)
http://selleckchem.com/products/CYC116.html

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N/A

>  <Target> (34)
EGFR

>  <Form> (34)
free base

>  <CAS> (34)
1213269-23-8

>  <URL> (34)
http://selleckchem.com/products/WZ4002.html

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>  <MolWeight> (35)
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>  <Cat> (35)
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>  <Name> (35)
Regorafenib (BAY 73-4506)

>  <Synonyms> (35)
Fluoro-Sorafenib, Resihance, Stivarga,BAY 73-4506

>  <Target> (35)
Autophagy,c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (35)
free base

>  <CAS> (35)
755037-03-7

>  <URL> (35)
http://selleckchem.com/products/BAY-73-4506.html

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>  <Target> (36)
EGFR

>  <Form> (36)
free base

>  <CAS> (36)
1214265-57-2

>  <URL> (36)
http://selleckchem.com/products/WZ8040.html

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M  END
>  <Mol_ID> (37)
109

>  <Formula> (37)
C21H25N7

>  <MolWeight> (37)
375.4701

>  <Cat> (37)
S1181

>  <Name> (37)
ENMD-2076

>  <Synonyms> (37)
N/A

>  <Target> (37)
Apoptosis related,Aurora Kinase,CSF-1R,FGFR,FLT3,PDGFR,Src,VEGFR

>  <Form> (37)
Tartaric Acid

>  <CAS> (37)
934353-76-1

>  <URL> (37)
http://selleckchem.com/products/enmd-2076.html

$$$$
Aprepitant.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (38)
114

>  <Formula> (38)
C23H21F7N4O3

>  <MolWeight> (38)
534.4266624

>  <Cat> (38)
S1189

>  <Name> (38)
Aprepitant (MK-0869)

>  <Synonyms> (38)
MK-0869, L-754030, Emend

>  <Target> (38)
CSF-1R,HIV,Interleukins,Neurokinin Receptor,TNF-alpha

>  <Form> (38)
free base

>  <CAS> (38)
170729-80-3

>  <URL> (38)
http://selleckchem.com/products/Aprepitant.html

$$$$
S119401 CUDC-101.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (39)
118

>  <Formula> (39)
C24H26N4O4

>  <MolWeight> (39)
434.48764

>  <Cat> (39)
S1194

>  <Name> (39)
CUDC-101

>  <Synonyms> (39)
N/A

>  <Target> (39)
EGFR,HDAC,HER2

>  <Form> (39)
free base

>  <CAS> (39)
1012054-59-9

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

$$$$
AV-951.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (40)
123

>  <Formula> (40)
C22H19ClN4O5

>  <MolWeight> (40)
454.86306

>  <Cat> (40)
S1207

>  <Name> (40)
Tivozanib (AV-951)

>  <Synonyms> (40)
KRN-951

>  <Target> (40)
c-Kit,PDGFR,VEGFR

>  <Form> (40)
free base

>  <CAS> (40)
475108-18-0

>  <URL> (40)
http://selleckchem.com/products/AV-951.html

$$$$
OSI-930.cdx
csChFnd80/01162513232D

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>  <Synonyms> (41)
N/A

>  <Target> (41)
c-Kit,CSF-1R,VEGFR

>  <Form> (41)
free base

>  <CAS> (41)
728033-96-3

>  <URL> (41)
http://selleckchem.com/products/OSI-930.html

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csChFnd80/01162513232D

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>  <Formula> (42)
C23H21N5O3S

>  <MolWeight> (42)
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>  <Cat> (42)
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>  <Name> (42)
Amuvatinib (MP-470)

>  <Synonyms> (42)
HPK 56

>  <Target> (42)
Apoptosis related,c-Kit,c-Met,c-RET,FLT3,PDGFR,RAD51

>  <Form> (42)
free base

>  <CAS> (42)
850879-09-3

>  <URL> (42)
http://selleckchem.com/products/MP-470.html

$$$$
PD173074.cdx
csChFnd80/01162513232D

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>  <Formula> (43)
C28H41N7O3

>  <MolWeight> (43)
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>  <Cat> (43)
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>  <Name> (43)
PD173074

>  <Synonyms> (43)
N/A

>  <Target> (43)
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>  <Form> (43)
free base

>  <CAS> (43)
219580-11-7

>  <URL> (43)
http://selleckchem.com/products/PD-173074.html

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>  <Name> (44)
Dexamethasone (MK-125)

>  <Synonyms> (44)
NSC 34521, Hexadecadrol, Prednisolone F,MK-125

>  <Target> (44)
Autophagy,Complement System,COVID-19,Glucocorticoid Receptor,IL Receptor,Mitophagy

>  <Form> (44)
free base

>  <CAS> (44)
50-02-2

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

$$$$
Genistein.cdx
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>  <Mol_ID> (45)
220

>  <Formula> (45)
C15H10O5

>  <MolWeight> (45)
270.2369

>  <Cat> (45)
S1342

>  <Name> (45)
Genistein (NPI 031L)

>  <Synonyms> (45)
NPI 031L

>  <Target> (45)
EGFR,Topoisomerase

>  <Form> (45)
free base

>  <CAS> (45)
446-72-0

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

$$$$
mgcd265.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (46)
227

>  <Formula> (46)
C26H20FN5O2S2

>  <MolWeight> (46)
517.5977032

>  <Cat> (46)
S1361

>  <Name> (46)
MGCD-265 analog

>  <Synonyms> (46)
N/A

>  <Target> (46)
c-Met,RON,Tie-2,VEGFR

>  <Form> (46)
free base

>  <CAS> (46)
875337-44-3

>  <URL> (46)
https://www.selleckchem.com/products/mgcd-265-analog.html

$$$$
KI8751.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (47)
229

>  <Formula> (47)
C24H18F3N3O4

>  <MolWeight> (47)
469.4126296

>  <Cat> (47)
S1363

>  <Name> (47)
Ki8751

>  <Synonyms> (47)
N/A

>  <Target> (47)
c-Kit,PDGFR,VEGFR

>  <Form> (47)
free base

>  <CAS> (47)
228559-41-9

>  <URL> (47)
http://selleckchem.com/products/Ki8751.html

$$$$
PHA-6806320.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (48)
277

>  <Formula> (48)
C28H35N7O2

>  <MolWeight> (48)
501.6232

>  <Cat> (48)
S1454

>  <Name> (48)
PHA-680632

>  <Synonyms> (48)
N/A

>  <Target> (48)
Aurora Kinase

>  <Form> (48)
free base

>  <CAS> (48)
398493-79-3

>  <URL> (48)
http://selleckchem.com/products/PHA-680632.html

$$$$
sp600125.cdx
csChFnd80/01162513232D

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>  <Target> (49)
Apoptosis related,Aurora Kinase,Autophagy,FLT3,JNK,Serine/threonin kinase,Trk receptor

>  <Form> (49)
free base

>  <CAS> (49)
129-56-6

>  <URL> (49)
http://selleckchem.com/products/SP600125.html

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csChFnd80/01162513232D

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287

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C18H18N2O3

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Orantinib (SU6668)

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TSU-68

>  <Target> (50)
PDGFR

>  <Form> (50)
free base

>  <CAS> (50)
252916-29-3

>  <URL> (50)
http://selleckchem.com/products/TSU-68(SU6668).html

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csChFnd80/01162513232D

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291

>  <Formula> (51)
C21H21N5

>  <MolWeight> (51)
343.42494

>  <Cat> (51)
S1476

>  <Name> (51)
SB525334

>  <Synonyms> (51)
N/A

>  <Target> (51)
TGF-beta/Smad

>  <Form> (51)
free base

>  <CAS> (51)
356559-20-1

>  <URL> (51)
http://selleckchem.com/products/SB-525334.html

$$$$
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csChFnd80/01162513232D

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>  <Name> (52)
AEE788 (NVP-AEE788)

>  <Synonyms> (52)
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>  <Target> (52)
EGFR,HER2,VEGFR

>  <Form> (52)
free base

>  <CAS> (52)
497839-62-0

>  <URL> (52)
http://selleckchem.com/products/AEE788.html

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>  <Mol_ID> (53)
302

>  <Formula> (53)
C29H27F3N6O

>  <MolWeight> (53)
532.5594896

>  <Cat> (53)
S1490

>  <Name> (53)
Ponatinib (AP24534)

>  <Synonyms> (53)
AP24534

>  <Target> (53)
Autophagy,Bcr-Abl,FGFR,PDGFR,Src,VEGFR

>  <Form> (53)
free base

>  <CAS> (53)
943319-70-8

>  <URL> (53)
http://selleckchem.com/products/AP24534.html

$$$$
AC220.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (54)
315

>  <Formula> (54)
C29H32N6O4S

>  <MolWeight> (54)
560.66718

>  <Cat> (54)
S1526

>  <Name> (54)
Quizartinib (AC220)

>  <Synonyms> (54)
N/A

>  <Target> (54)
Apoptosis related,FLT3,Target Protein Ligand

>  <Form> (54)
free base

>  <CAS> (54)
950769-58-1

>  <URL> (54)
http://selleckchem.com/products/AC-220.html

$$$$
R406 free base.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (55)
325

>  <Formula> (55)
C22H23FN6O5

>  <MolWeight> (55)
470.4536232

>  <Cat> (55)
S1533

>  <Name> (55)
R406 (free base)

>  <Synonyms> (55)
N/A

>  <Target> (55)
Apoptosis related,FLT3,Syk

>  <Form> (55)
free base

>  <CAS> (55)
841290-80-0

>  <URL> (55)
http://selleckchem.com/products/R406(free-base).html

$$$$
DMXAA.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (56)
326

>  <Formula> (56)
C17H14O4

>  <MolWeight> (56)
282.29066

>  <Cat> (56)
S1537

>  <Name> (56)
Vadimezan (ASA404)

>  <Synonyms> (56)
NSC 640488, DMXAA

>  <Target> (56)
Antiviral,IFN,STING,TNF-alpha,VDA

>  <Form> (56)
free base

>  <CAS> (56)
117570-53-3

>  <URL> (56)
http://selleckchem.com/products/DMXAA(ASA404).html

$$$$
KRN633.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (57)
337

>  <Formula> (57)
C20H21ClN4O4

>  <MolWeight> (57)
416.85814

>  <Cat> (57)
S1557

>  <Name> (57)
KRN 633

>  <Synonyms> (57)
N/A

>  <Target> (57)
VEGFR

>  <Form> (57)
free base

>  <CAS> (57)
286370-15-8

>  <URL> (57)
http://selleckchem.com/products/KRN-633.html

$$$$
BMS777607.cdx
csChFnd80/01162513232D

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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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  1  8  1  0  0  0  0
  6  9  1  0  0  0  0
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 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (58)
339

>  <Formula> (58)
C25H19ClF2N4O4

>  <MolWeight> (58)
512.8925664

>  <Cat> (58)
S1561

>  <Name> (58)
BMS-777607

>  <Synonyms> (58)
BMS 817378

>  <Target> (58)
Axl,c-Met,RON,Tyro3

>  <Form> (58)
free base

>  <CAS> (58)
1025720-94-8

>  <URL> (58)
http://selleckchem.com/products/BMS-777607.html

$$$$
ALVESCO (ciclesonide).cdx
csChFnd80/01162513232D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    3.7564    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6744    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
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  7 12  2  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  1  0  0  0  0
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 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (59)
341

>  <Formula> (59)
C13H11N3O4

>  <MolWeight> (59)
273.24414

>  <Cat> (59)
S1567

>  <Name> (59)
Pomalidomide (CC-4047)

>  <Synonyms> (59)
CC-4047

>  <Target> (59)
Apoptosis related,E3 Ligase ,E3 ligase Ligand,TNF-alpha

>  <Form> (59)
free base

>  <CAS> (59)
19171-19-8

>  <URL> (59)
http://selleckchem.com/products/Pomalidomide(CC-4047).html

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/01162513232D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1282    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7282    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2233    3.4976    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   16.9209    2.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9209    4.7058    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
  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
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 11 12  1  0  0  0  0
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 17 14  1  0  0  0  0
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 18 25  2  0  0  0  0
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 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (60)
348

>  <Formula> (60)
C26H21N3O2S

>  <MolWeight> (60)
439.52884

>  <Cat> (60)
S1577

>  <Name> (60)
Tie2 kinase inhibitor

>  <Synonyms> (60)
N/A

>  <Target> (60)
Tie-2

>  <Form> (60)
free base

>  <CAS> (60)
948557-43-5

>  <URL> (60)
http://selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/01162513232D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2788    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6415    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4913    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9161    2.8000    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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  2  0  0  0  0
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 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
>  <Mol_ID> (61)
401

>  <Formula> (61)
C10H20N2S4

>  <MolWeight> (61)
296.5392

>  <Cat> (61)
S1680

>  <Name> (61)
Disulfiram (NSC 190940)

>  <Synonyms> (61)
NSC 190940, Tetraethylthiuram disulfide, TETD

>  <Target> (61)
Apoptosis related,COVID-19,Dehydrogenase,Pyroptosis

>  <Form> (61)
free base

>  <CAS> (61)
97-77-8

>  <URL> (61)
http://selleckchem.com/products/Disulfiram(Antabuse).html

$$$$
APRISO (mesalamine).cdx
csChFnd80/01162513232D

 11 11  0  0  0  0  0  0  0  0999 V2000
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    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (62)
402

>  <Formula> (62)
C7H7NO3

>  <MolWeight> (62)
153.13538

>  <Cat> (62)
S1681

>  <Name> (62)
Mesalamine (5-ASA)

>  <Synonyms> (62)
5-Aminosalicylic acid, 5-ASA, Mesalazine, Apriso, Asacol, Pentasa, Canasa

>  <Target> (62)
Immunology & Inflammation related,I¦ÊB/IKK

>  <Form> (62)
free base

>  <CAS> (62)
89-57-6

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

$$$$
estradiol.cdx
csChFnd80/01162513232D

 23 26  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
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  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
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 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 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
M  END
>  <Mol_ID> (63)
417

>  <Formula> (63)
C18H24O2

>  <MolWeight> (63)
272.38196

>  <Cat> (63)
S1709

>  <Name> (63)
Estradiol

>  <Synonyms> (63)
17¦Â-estradiol, ¦Â-Estradiol, E2, 17¦Â-Oestradiol

>  <Target> (63)
Estrogen/progestogen Receptor,Interleukins

>  <Form> (63)
free base

>  <CAS> (63)
50-28-2

>  <URL> (63)
http://selleckchem.com/products/Estradiol.html

$$$$
DCC-2036.cdx
csChFnd80/01162513232D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.3036    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    2.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    4.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    2.7704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1945    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    0.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0954    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6789    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1917    4.7398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    3.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244    2.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9017    6.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421    7.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195    8.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    7.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    6.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6914    9.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003   10.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   10.2127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  2  0  0  0  0
  2 18  1  0  0  0  0
  1 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  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
 34 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 35  1  0  0  0  0
M  END
>  <Mol_ID> (64)
419

>  <Formula> (64)
C30H28FN7O3

>  <MolWeight> (64)
553.5868232

>  <Cat> (64)
S2634

>  <Name> (64)
Rebastinib (DCC-2036)

>  <Synonyms> (64)
N/A

>  <Target> (64)
Bcr-Abl

>  <Form> (64)
free base

>  <CAS> (64)
1020172-07-9

>  <URL> (64)
http://selleckchem.com/products/dcc-2036.html

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/01162513232D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    7.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    8.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3876    6.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
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  7 27  1  6  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
M  END
>  <Mol_ID> (65)
430

>  <Formula> (65)
C22H30O5

>  <MolWeight> (65)
374.4706

>  <Cat> (65)
S1733

>  <Name> (65)
Methylprednisolone (NSC-19987)

>  <Synonyms> (65)
NSC-19987,U 7532

>  <Target> (65)
ACE,Apoptosis related,Autophagy,Glucocorticoid Receptor,Immunology & Inflammation related,Interleukins

>  <Form> (65)
free base

>  <CAS> (65)
83-43-2

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

$$$$
Methylthiouracil.cdx
csChFnd80/01162513232D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (66)
473

>  <Formula> (66)
C5H6N2OS

>  <MolWeight> (66)
142.17894

>  <Cat> (66)
S3138

>  <Name> (66)
Methylthiouracil

>  <Synonyms> (66)
NSC-193526, NSC-9378,MTU

>  <Target> (66)
ERK,Interleukins,NF-¦ÊB,TNF-alpha

>  <Form> (66)
free base

>  <CAS> (66)
56-04-2

>  <URL> (66)
http://selleckchem.com/products/methylthiouracil.html

$$$$
untitled.cdx
csChFnd80/01162513232D

 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
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    4.8413    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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M  END
>  <Mol_ID> (67)
489

>  <Formula> (67)
C29H41F2N5O

>  <MolWeight> (67)
513.6655464

>  <Cat> (67)
S2003

>  <Name> (67)
Maraviroc (UK-427857)

>  <Synonyms> (67)
Celsentri,UK-427857

>  <Target> (67)
CCR,HIV

>  <Form> (67)
free base

>  <CAS> (67)
376348-65-1

>  <URL> (67)
http://selleckchem.com/products/Maraviroc.html

$$$$
Tanshinone IIA.cdx
csChFnd80/01162513232D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (68)
501

>  <Formula> (68)
C19H18O3

>  <MolWeight> (68)
294.34442

>  <Cat> (68)
S2365

>  <Name> (68)
Tanshinone IIA

>  <Synonyms> (68)
Tanshinone B

>  <Target> (68)
Lipase

>  <Form> (68)
free base

>  <CAS> (68)
568-72-9

>  <URL> (68)
http://selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

$$$$
AMG 458.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (69)
533

>  <Formula> (69)
C30H29N5O5

>  <MolWeight> (69)
539.58176

>  <Cat> (69)
S2747

>  <Name> (69)
AMG-458

>  <Synonyms> (69)
N/A

>  <Target> (69)
c-Met

>  <Form> (69)
free base

>  <CAS> (69)
913376-83-7

>  <URL> (69)
http://selleckchem.com/products/amg458.html

$$$$
Arry-380.cdx
csChFnd80/01162513232D

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937265-83-3

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TGF-beta/Smad

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free base

>  <CAS> (71)
452342-67-5

>  <URL> (71)
http://selleckchem.com/products/gw788388.html

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231277-92-2

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

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free base

>  <CAS> (73)
905854-02-6

>  <URL> (73)
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M  END
>  <Mol_ID> (74)
557

>  <Formula> (74)
C20H16N6

>  <MolWeight> (74)
340.38124

>  <Cat> (74)
S2761

>  <Name> (74)
NVP-BVU972

>  <Synonyms> (74)
N/A

>  <Target> (74)
c-Met

>  <Form> (74)
free base

>  <CAS> (74)
1185763-69-2

>  <URL> (74)
http://selleckchem.com/products/nvp-bvu972.html

$$$$

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>  <Mol_ID> (75)
564

>  <Formula> (75)
C27H33FN6O7

>  <MolWeight> (75)
572.5853232

>  <Cat> (75)
S2769

>  <Name> (75)
Dovitinib (TKI-258) Dilactic Acid

>  <Synonyms> (75)
N/A

>  <Target> (75)
c-Kit,FGFR,FLT3,PDGFR,VEGFR

>  <Form> (75)
Dilactic Acid

>  <CAS> (75)
852433-84-2

>  <URL> (75)
http://selleckchem.com/products/dovitinib.html

$$$$
AST-1306.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (76)
565

>  <Formula> (76)
C31H26ClFN4O5S

>  <MolWeight> (76)
621.0783432

>  <Cat> (76)
S2185

>  <Name> (76)
Allitinib tosylate

>  <Synonyms> (76)
AST-1306 TsOH, AST-6

>  <Target> (76)
EGFR

>  <Form> (76)
Mesylate

>  <CAS> (76)
1050500-29-2

>  <URL> (76)
https://www.selleckchem.com/products/allitinib-tosylate.html

$$$$
SB505124.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (77)
568

>  <Formula> (77)
C20H21N3O2

>  <MolWeight> (77)
335.39964

>  <Cat> (77)
S2186

>  <Name> (77)
SB505124

>  <Synonyms> (77)
N/A

>  <Target> (77)
TGF-beta/Smad

>  <Form> (77)
free base

>  <CAS> (77)
694433-59-5

>  <URL> (77)
http://selleckchem.com/products/sb-505124.html

$$$$
MK-2461.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (78)
569

>  <Formula> (78)
C24H25N5O5S

>  <MolWeight> (78)
495.5508

>  <Cat> (78)
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>  <Name> (78)
MK-2461

>  <Synonyms> (78)
N/A

>  <Target> (78)
c-Met,FGFR,PDGFR,RON

>  <Form> (78)
free base

>  <CAS> (78)
917879-39-1

>  <URL> (78)
http://selleckchem.com/products/mk-2461.html

$$$$
TAK-285.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (79)
577

>  <Formula> (79)
C26H25ClF3N5O3

>  <MolWeight> (79)
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>  <Cat> (79)
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>  <Name> (79)
TAK-285

>  <Synonyms> (79)
N/A

>  <Target> (79)
EGFR,HER2

>  <Form> (79)
free base

>  <CAS> (79)
871026-44-7

>  <URL> (79)
http://selleckchem.com/products/tak-285.html

$$$$
Bufexamac.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (80)
587

>  <Formula> (80)
C12H17NO3

>  <MolWeight> (80)
223.26828

>  <Cat> (80)
S3023

>  <Name> (80)
Bufexamac

>  <Synonyms> (80)
Bufexamic acid

>  <Target> (80)
COX,IFN

>  <Form> (80)
free base

>  <CAS> (80)
2438-72-4

>  <URL> (80)
http://selleckchem.com/products/bufexamac.html

$$$$
Bindarit.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (81)
597

>  <Formula> (81)
C19H20N2O3

>  <MolWeight> (81)
324.3737

>  <Cat> (81)
S3032

>  <Name> (81)
Bindarit (AF?2838)

>  <Synonyms> (81)
AF 2838

>  <Target> (81)
CCR,Immunology & Inflammation related

>  <Form> (81)
free base

>  <CAS> (81)
130641-38-2

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

$$$$
AZD4547.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (82)
601

>  <Formula> (82)
C26H33N5O3

>  <MolWeight> (82)
463.57192

>  <Cat> (82)
S2801

>  <Name> (82)
AZD4547

>  <Synonyms> (82)
ABSK 091

>  <Target> (82)
FGFR

>  <Form> (82)
free base

>  <CAS> (82)
1035270-39-3

>  <URL> (82)
http://selleckchem.com/products/azd4547.html

$$$$
NVP-TAE226.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (83)
613

>  <Formula> (83)
C23H25ClN6O3

>  <MolWeight> (83)
468.936

>  <Cat> (83)
S2820

>  <Name> (83)
TAE226 (NVP-TAE226)

>  <Synonyms> (83)
N/A

>  <Target> (83)
Apoptosis related,FAK,Pyk2

>  <Form> (83)
free base

>  <CAS> (83)
761437-28-9

>  <URL> (83)
http://selleckchem.com/products/nvp-tae226.html

$$$$
E7080.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (84)
630

>  <Formula> (84)
C21H19ClN4O4

>  <MolWeight> (84)
426.85296

>  <Cat> (84)
S1164

>  <Name> (84)
Lenvatinib (E7080)

>  <Synonyms> (84)
N/A

>  <Target> (84)
c-Kit,c-RET,FGFR,PDGFR,VEGFR

>  <Form> (84)
free base

>  <CAS> (84)
417716-92-8

>  <URL> (84)
http://selleckchem.com/products/E7080.html

$$$$
Dexamethasone acetate.cdx
csChFnd80/01162513232D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (85)
633

>  <Formula> (85)
C24H31FO6

>  <MolWeight> (85)
434.4977432

>  <Cat> (85)
S3124

>  <Name> (85)
Dexamethasone Acetate

>  <Synonyms> (85)
NSC 39471,Dexamethasone 21-acetate

>  <Target> (85)
Complement System,COVID-19,IL Receptor

>  <Form> (85)
free base

>  <CAS> (85)
1177-87-3

>  <URL> (85)
http://selleckchem.com/products/dexamethasone-acetate.html

$$$$
Nadifloxacin.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (86)
639

>  <Formula> (86)
C19H21FN2O4

>  <MolWeight> (86)
360.3794432

>  <Cat> (86)
S3105

>  <Name> (86)
Nadifloxacin

>  <Synonyms> (86)
OPC-7251

>  <Target> (86)
Antibiotics

>  <Form> (86)
free base

>  <CAS> (86)
124858-35-1

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

$$$$
KW2449.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (87)
643

>  <Formula> (87)
C20H20N4O

>  <MolWeight> (87)
332.399

>  <Cat> (87)
S2158

>  <Name> (87)
KW-2449

>  <Synonyms> (87)
N/A

>  <Target> (87)
Aurora Kinase,Bcr-Abl,FLT3

>  <Form> (87)
free base

>  <CAS> (87)
1000669-72-6

>  <URL> (87)
http://selleckchem.com/products/KW-2449.html

$$$$
raf265.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (88)
645

>  <Formula> (88)
C24H16F6N6O

>  <MolWeight> (88)
518.4138592

>  <Cat> (88)
S2161

>  <Name> (88)
RAF265 (CHIR-265)

>  <Synonyms> (88)
N/A

>  <Target> (88)
Apoptosis related,Raf,VEGFR

>  <Form> (88)
free base

>  <CAS> (88)
927880-90-8

>  <URL> (88)
http://selleckchem.com/products/RAF265(CHIR-265).html

$$$$
Daphnetin.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (89)
647

>  <Formula> (89)
C9H6O4

>  <MolWeight> (89)
178.14154

>  <Cat> (89)
S2554

>  <Name> (89)
Daphnetin

>  <Synonyms> (89)
N/A

>  <Target> (89)
EGFR,PKA,PKC

>  <Form> (89)
free base

>  <CAS> (89)
486-35-1

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

$$$$
AZD8931.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (90)
660

>  <Formula> (90)
C23H25ClFN5O3

>  <MolWeight> (90)
473.9277032

>  <Cat> (90)
S2192

>  <Name> (90)
Sapitinib (AZD8931)

>  <Synonyms> (90)
N/A

>  <Target> (90)
EGFR,HER2

>  <Form> (90)
free base

>  <CAS> (90)
848942-61-0

>  <URL> (90)
http://selleckchem.com/products/AZD8931.html

$$$$
R406.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (91)
662

>  <Formula> (91)
C28H29FN6O8S

>  <MolWeight> (91)
628.6286632

>  <Cat> (91)
S2194

>  <Name> (91)
R406

>  <Synonyms> (91)
N/A

>  <Target> (91)
Apoptosis related,FLT3,Syk

>  <Form> (91)
Besylate

>  <CAS> (91)
841290-81-1

>  <URL> (91)
http://selleckchem.com/products/R406.html

$$$$
SGI 1776 free base.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (92)
664

>  <Formula> (92)
C20H22F3N5O

>  <MolWeight> (92)
405.4167896

>  <Cat> (92)
S2198

>  <Name> (92)
SGI-1776 free base

>  <Synonyms> (92)
N/A

>  <Target> (92)
Apoptosis related,Autophagy,FLT3,Haspin Kinase,Pim

>  <Form> (92)
free base

>  <CAS> (92)
1025065-69-3

>  <URL> (92)
http://selleckchem.com/products/SGI-1776.html

$$$$
BMS817378.cdx
csChFnd80/01162513232D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (93)
665

>  <Formula> (93)
C23H15ClF2N4O3

>  <MolWeight> (93)
468.8400064

>  <Cat> (93)
S2201

>  <Name> (93)
BMS-794833

>  <Synonyms> (93)
N/A

>  <Target> (93)
c-Met,RON,VEGFR

>  <Form> (93)
free base

>  <CAS> (93)
1174046-72-0

>  <URL> (93)
http://selleckchem.com/products/BMS-794833.html

$$$$
OSI 420.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (94)
667

>  <Formula> (94)
C21H22ClN3O4

>  <MolWeight> (94)
415.87008

>  <Cat> (94)
S2205

>  <Name> (94)
OSI-420

>  <Synonyms> (94)
DesMethyl Erlotinib (CP-473420) HCl

>  <Target> (94)
EGFR

>  <Form> (94)
Hydrochloride

>  <CAS> (94)
183320-51-6

>  <URL> (94)
http://selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/01162513232D

 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
    0.0000    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4702    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6827    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   10.4879    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
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  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 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 14 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (95)
677

>  <Formula> (95)
C22H18O11

>  <MolWeight> (95)
458.37172

>  <Cat> (95)
S2250

>  <Name> (95)
(-)-Epigallocatechin Gallate

>  <Synonyms> (95)
EGCG

>  <Target> (95)
DNA Methyltransferase,EGFR,Fatty Acid Synthase,HER2,Telomerase

>  <Form> (95)
free base

>  <CAS> (95)
989-51-5

>  <URL> (95)
http://selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Formononetin.cdx
csChFnd80/01162513232D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    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  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (96)
710

>  <Formula> (96)
C16H12O4

>  <MolWeight> (96)
268.26408

>  <Cat> (96)
S2299

>  <Name> (96)
Formononetin

>  <Synonyms> (96)
Formononetol, Biochanin B

>  <Target> (96)
Others

>  <Form> (96)
free base

>  <CAS> (96)
485-72-3

>  <URL> (96)
http://selleckchem.com/products/Formononetin(Formononetol).html

$$$$
Fumalic acid.cdx
csChFnd80/01162513232D

 14 14  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
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2879    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
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (97)
711

>  <Formula> (97)
C10H10O4

>  <MolWeight> (97)
194.184

>  <Cat> (97)
S2300

>  <Name> (97)
Ferulic Acid

>  <Synonyms> (97)
Fumalic Acid

>  <Target> (97)
FGFR

>  <Form> (97)
free base

>  <CAS> (97)
1135-24-6

>  <URL> (97)
http://selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

$$$$
Gramine.cdx
csChFnd80/01162513232D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    5.2090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    1.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    1.3269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4857    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9832    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (98)
713

>  <Formula> (98)
C11H14N2

>  <MolWeight> (98)
174.24226

>  <Cat> (98)
S2304

>  <Name> (98)
Gramine

>  <Synonyms> (98)
N/A

>  <Target> (98)
ADC Cytotoxin,AdipoR,Adrenergic Receptor

>  <Form> (98)
free base

>  <CAS> (98)
87-52-5

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

$$$$
Hesperetin.cdx
csChFnd80/01162513232D

 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
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  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> (99)
717

>  <Formula> (99)
C16H14O6

>  <MolWeight> (99)
302.27876

>  <Cat> (99)
S2308

>  <Name> (99)
Hesperetin

>  <Synonyms> (99)
N/A

>  <Target> (99)
Histamine Receptor,TGF-beta/Smad

>  <Form> (99)
free base

>  <CAS> (99)
520-33-2

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

$$$$
Magnolol.cdx
csChFnd80/01162513232D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  3 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (100)
728

>  <Formula> (100)
C18H18O2

>  <MolWeight> (100)
266.33432

>  <Cat> (100)
S2321

>  <Name> (100)
Magnolol

>  <Synonyms> (100)
NSC 293099

>  <Target> (100)
Fungal,NF-¦ÊB

>  <Form> (100)
free base

>  <CAS> (100)
528-43-8

>  <URL> (100)
http://selleckchem.com/products/Magnolol(2,2-Bichavicol).html

$$$$
Chrysophanic acid.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (101)
757

>  <Formula> (101)
C15H10O4

>  <MolWeight> (101)
254.2375

>  <Cat> (101)
S2406

>  <Name> (101)
Chrysophanic Acid

>  <Synonyms> (101)
Chrysophanol

>  <Target> (101)
EGFR,mTOR

>  <Form> (101)
free base

>  <CAS> (101)
481-74-3

>  <URL> (101)
http://selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Imatinib.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (102)
774

>  <Formula> (102)
C29H31N7O

>  <MolWeight> (102)
493.60274

>  <Cat> (102)
S2475

>  <Name> (102)
Imatinib (STI571)

>  <Synonyms> (102)
STI571,Gleevec, Glivec, CGP057148B

>  <Target> (102)
Autophagy,Bcr-Abl,c-Kit,PDGFR

>  <Form> (102)
free base

>  <CAS> (102)
152459-95-5

>  <URL> (102)
http://selleckchem.com/products/Imatinib(STI571).html

$$$$
TG1012009.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (103)
781

>  <Formula> (103)
C26H35N7O2S

>  <MolWeight> (103)
509.6668

>  <Cat> (103)
S2692

>  <Name> (103)
TG101209

>  <Synonyms> (103)
N/A

>  <Target> (103)
c-RET,FLT3,JAK

>  <Form> (103)
free base

>  <CAS> (103)
936091-14-4

>  <URL> (103)
http://selleckchem.com/products/tg101209.html

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/01162513232D

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>  <Mol_ID> (104)
830

>  <Formula> (104)
C20H16ClN5O3

>  <MolWeight> (104)
409.82574

>  <Cat> (104)
S2231

>  <Name> (104)
Telatinib

>  <Synonyms> (104)
BAY 57-9352

>  <Target> (104)
c-Kit,PDGFR,VEGFR

>  <Form> (104)
free base

>  <CAS> (104)
332012-40-5

>  <URL> (104)
http://selleckchem.com/products/Telatinib-BAY-57-9352.html

$$$$
PP121.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (105)
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>  <Formula> (105)
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>  <MolWeight> (105)
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>  <Cat> (105)
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>  <Name> (105)
PP121

>  <Synonyms> (105)
N/A

>  <Target> (105)
Bcr-Abl,DNA-PK,mTOR,PDGFR,Src,VEGFR

>  <Form> (105)
free base

>  <CAS> (105)
1092788-83-4

>  <URL> (105)
http://selleckchem.com/products/PP121.html

$$$$
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csChFnd80/01162513232D

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>  <Mol_ID> (106)
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>  <Formula> (106)
C19H12ClN3O2

>  <MolWeight> (106)
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>  <Cat> (106)
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>  <Name> (106)
Silmitasertib (CX-4945)

>  <Synonyms> (106)
N/A

>  <Target> (106)
Apoptosis related,Autophagy,Casein Kinase

>  <Form> (106)
free base

>  <CAS> (106)
1009820-21-6

>  <URL> (106)
http://selleckchem.com/products/cx-4945-silmitasertib.html

$$$$
LY2157299.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (107)
852

>  <Formula> (107)
C22H19N5O

>  <MolWeight> (107)
369.41916

>  <Cat> (107)
S2230

>  <Name> (107)
Galunisertib (LY2157299)

>  <Synonyms> (107)
N/A

>  <Target> (107)
TGF-beta/Smad

>  <Form> (107)
free base

>  <CAS> (107)
700874-72-2

>  <URL> (107)
http://selleckchem.com/products/ly2157299.html

$$$$
R7935788.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (108)
857

>  <Formula> (108)
C23H26FN6O9P

>  <MolWeight> (108)
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>  <Cat> (108)
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>  <Name> (108)
Fostamatinib (R788)

>  <Synonyms> (108)
N/A

>  <Target> (108)
Syk

>  <Form> (108)
free base

>  <CAS> (108)
901119-35-5

>  <URL> (108)
http://selleckchem.com/products/R7935788-Fostamatinib.html

$$$$
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Chk

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free base

>  <CAS> (109)
405168-58-3

>  <URL> (109)
http://selleckchem.com/products/chir-124.html

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BMS-754807

>  <Synonyms> (110)
N/A

>  <Target> (110)
c-Met,IGF-1R,RON,Trk receptor

>  <Form> (110)
free base

>  <CAS> (110)
1001350-96-4

>  <URL> (110)
http://selleckchem.com/products/BMS-754807.html

$$$$
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>  <Name> (111)
Suplatast Tosylate

>  <Synonyms> (111)
IPD-1151T, Suplatast Tosilate

>  <Target> (111)
Interleukins

>  <Form> (111)
Tosylate

>  <CAS> (111)
94055-76-2

>  <URL> (111)
http://selleckchem.com/products/suplatast-tosilate.html

$$$$
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>  <Formula> (112)
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>  <Cat> (112)
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>  <Synonyms> (112)
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>  <Target> (112)
IGF-1R

>  <Form> (112)
free base

>  <CAS> (112)
468740-43-4

>  <URL> (112)
http://selleckchem.com/products/BMS-536924.html

$$$$
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1116235-97-2

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>  <URL> (115)
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   12.1369    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3348    4.2005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2976    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5316    4.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7474    4.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9528    4.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9436    6.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7151    7.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5166    6.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1399    7.0387    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.1699    4.2404    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 17 16  2  0  0  0  0
 16 13  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 14 23  1  0  0  0  0
 22 24  1  0  0  0  0
 13  6  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 28 33  1  0  0  0  0
M  END
>  <Mol_ID> (116)
925

>  <Formula> (116)
C24H25ClFN5O2

>  <MolWeight> (116)
469.9390032

>  <Cat> (116)
S2727

>  <Name> (116)
Dacomitinib (PF-00299804)

>  <Synonyms> (116)
PF299804,PF299

>  <Target> (116)
Apoptosis related,EGFR,HER2

>  <Form> (116)
free base

>  <CAS> (116)
1110813-31-4

>  <URL> (116)
http://selleckchem.com/products/pf299804.html

$$$$
CP868569.cdx
csChFnd80/01162513232D

 33 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2043    4.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4404    7.0344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3739    5.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3739    4.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9739    4.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9739    3.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3739    3.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7739    4.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  3 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 11  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 20 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 21  1  0  0  0  0
 23 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 28  1  0  0  0  0
 28 32  1  0  0  0  0
 14 33  1  0  0  0  0
M  END
>  <Mol_ID> (117)
931

>  <Formula> (117)
C26H29N5O2

>  <MolWeight> (117)
443.54076

>  <Cat> (117)
S2730

>  <Name> (117)
Crenolanib (CP-868596)

>  <Synonyms> (117)
ARO 002

>  <Target> (117)
FLT3,Mitophagy,PDGFR

>  <Form> (117)
free base

>  <CAS> (117)
670220-88-9

>  <URL> (117)
http://selleckchem.com/products/crenolanib-cp-868596.html

$$$$
AG-1478.cdx
csChFnd80/01162513232D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.7951    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9951    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    3.6331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    4.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4927    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0927    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1903    1.2124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  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  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 12 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 12  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (118)
938

>  <Formula> (118)
C16H14ClN3O2

>  <MolWeight> (118)
315.75426

>  <Cat> (118)
S2728

>  <Name> (118)
AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (118)
NSC 693255

>  <Target> (118)
EGFR,HCV,PI4K

>  <Form> (118)
free base

>  <CAS> (118)
153436-53-4,175178-82-2

>  <URL> (118)
http://selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
Butoconazole nitrate.cdx
csChFnd80/01162513232D

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9707    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0707    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    7.7707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    7.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    3.2873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    5.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    7.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    7.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    9.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    9.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    9.8659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3740    1.2082    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0716    2.4165    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0716    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9788    1.2082    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
  8  9  1  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
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  6 14  1  0  0  0  0
 12 15  1  0  0  0  0
 11 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 11  1  0  0  0  0
 15 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 15  1  0  0  0  0
 22 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (119)
958

>  <Formula> (119)
C19H18Cl3N3O3S

>  <MolWeight> (119)
474.78852

>  <Cat> (119)
S1833

>  <Name> (119)
Butoconazole nitrate

>  <Synonyms> (119)
RS-35887

>  <Target> (119)
Fungal,IFN,Interleukins,TNF-alpha

>  <Form> (119)
Nitrate

>  <CAS> (119)
64872-77-1

>  <URL> (119)
http://selleckchem.com/products/butoconazole-nitrate.html

$$$$
CP 673451.cdx
csChFnd80/01162513232D

 31 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688    6.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0440    7.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7056    7.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3918    6.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4026    7.2317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7153    8.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0491    9.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3618   10.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6956   10.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1038    3.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4362    3.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (120)
1000

>  <Formula> (120)
C24H27N5O2

>  <MolWeight> (120)
417.50348

>  <Cat> (120)
S1536

>  <Name> (120)
CP-673451

>  <Synonyms> (120)
N/A

>  <Target> (120)
PDGFR

>  <Form> (120)
free base

>  <CAS> (120)
343787-29-1

>  <URL> (120)
http://selleckchem.com/products/CP-673451.html

$$$$
Varlitinib(ARRY-334543).cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (121)
1041

>  <Formula> (121)
C22H19ClN6O2S

>  <MolWeight> (121)
466.94326

>  <Cat> (121)
S2755

>  <Name> (121)
Varlitinib

>  <Synonyms> (121)
ARRY334543

>  <Target> (121)
EGFR

>  <Form> (121)
free base

>  <CAS> (121)
845272-21-1

>  <URL> (121)
http://selleckchem.com/products/arry334543.html

$$$$
Semaxanib.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (122)
1055

>  <Formula> (122)
C15H14N2O

>  <MolWeight> (122)
238.28446

>  <Cat> (122)
S2845

>  <Name> (122)
Semaxanib (SU5416)

>  <Synonyms> (122)
semaxinib

>  <Target> (122)
VEGFR

>  <Form> (122)
free base

>  <CAS> (122)
204005-46-9

>  <URL> (122)
http://selleckchem.com/products/semaxanib-su5416.html

$$$$
SAR131675.cdx
csChFnd80/01162513232D

 26 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (123)
1056

>  <Formula> (123)
C18H22N4O4

>  <MolWeight> (123)
358.39168

>  <Cat> (123)
S2842

>  <Name> (123)
SAR131675

>  <Synonyms> (123)
N/A

>  <Target> (123)
VEGFR

>  <Form> (123)
free base

>  <CAS> (123)
1433953-83-3

>  <URL> (123)
http://selleckchem.com/products/sar131675.html

$$$$
E7050.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (124)
1066

>  <Formula> (124)
C33H37F2N7O4

>  <MolWeight> (124)
633.6881864

>  <Cat> (124)
S2859

>  <Name> (124)
Golvatinib (E7050)

>  <Synonyms> (124)
N/A

>  <Target> (124)
c-Met,VEGFR

>  <Form> (124)
free base

>  <CAS> (124)
928037-13-2

>  <URL> (124)
http://selleckchem.com/products/golvatinib-e7050.html

$$$$
WHI-P154.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (125)
1068

>  <Formula> (125)
C16H14BrN3O3

>  <MolWeight> (125)
376.20466

>  <Cat> (125)
S2867

>  <Name> (125)
WHI-P154

>  <Synonyms> (125)
N/A

>  <Target> (125)
EGFR,JAK

>  <Form> (125)
free base

>  <CAS> (125)
211555-04-3

>  <URL> (125)
http://selleckchem.com/products/whi-p154.html

$$$$
Pirfenidone.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (126)
1102

>  <Formula> (126)
C12H11NO

>  <MolWeight> (126)
185.22184

>  <Cat> (126)
S2907

>  <Name> (126)
Pirfenidone (S-7701)

>  <Synonyms> (126)
AMR-69

>  <Target> (126)
CCR,TGF-beta/Smad

>  <Form> (126)
free base

>  <CAS> (126)
53179-13-8

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

$$$$
GW 441756.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (127)
1105

>  <Formula> (127)
C17H13N3O

>  <MolWeight> (127)
275.30462

>  <Cat> (127)
S2891

>  <Name> (127)
GW441756

>  <Synonyms> (127)
N/A

>  <Target> (127)
Apoptosis related,Caspase,Trk receptor

>  <Form> (127)
free base

>  <CAS> (127)
504433-23-2

>  <URL> (127)
http://selleckchem.com/products/gw-441756.html

$$$$
ZM323881 HCl.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (128)
1110

>  <Formula> (128)
C22H19ClFN3O2

>  <MolWeight> (128)
411.8565632

>  <Cat> (128)
S2896

>  <Name> (128)
ZM 323881 HCl

>  <Synonyms> (128)
N/A

>  <Target> (128)
VEGFR

>  <Form> (128)
Hydrochloride

>  <CAS> (128)
193000-39-4

>  <URL> (128)
http://selleckchem.com/products/zm-323881-hcl.html

$$$$
ZM306416.cdx
csChFnd80/01162513232D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (129)
1111

>  <Formula> (129)
C16H13ClFN3O2

>  <MolWeight> (129)
333.7447232

>  <Cat> (129)
S2897

>  <Name> (129)
ZM 306416

>  <Synonyms> (129)
CB 676475

>  <Target> (129)
VEGFR

>  <Form> (129)
free base

>  <CAS> (129)
690206-97-4

>  <URL> (129)
http://selleckchem.com/products/zm-306416.html

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Chk

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952021-60-2

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CXCR

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55778-02-4

>  <URL> (131)
http://selleckchem.com/products/wz-811.html

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EGFR

>  <Form> (132)
free base

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610798-31-7

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

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444731-52-6

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M  END
>  <Mol_ID> (134)
1220

>  <Formula> (134)
C18H13F3N4O2

>  <MolWeight> (134)
374.3166296

>  <Cat> (134)
S2899

>  <Name> (134)
GNF-2

>  <Synonyms> (134)
N/A

>  <Target> (134)
Bcr-Abl

>  <Form> (134)
free base

>  <CAS> (134)
778270-11-4

>  <URL> (134)
http://selleckchem.com/products/gnf-2.html

$$$$
OSI-906.cdx
csChFnd80/01162513232D

 32 37  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (135)
1230

>  <Formula> (135)
C26H23N5O

>  <MolWeight> (135)
421.49372

>  <Cat> (135)
S1091

>  <Name> (135)
Linsitinib (OSI-906)

>  <Synonyms> (135)
N/A

>  <Target> (135)
IGF-1R

>  <Form> (135)
free base

>  <CAS> (135)
867160-71-2

>  <URL> (135)
http://selleckchem.com/products/OSI-906.html

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/01162513232D

 46 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (136)
1234

>  <Formula> (136)
C32H30FN3O10

>  <MolWeight> (136)
635.5931032

>  <Cat> (136)
S4001

>  <Name> (136)
Cabozantinib malate

>  <Synonyms> (136)
XL184

>  <Target> (136)
Apoptosis related,Axl,c-Kit,c-Met,c-RET,FLT3,VEGFR

>  <Form> (136)
Malate

>  <CAS> (136)
1140909-48-3

>  <URL> (136)
http://selleckchem.com/products/cabozantinib-malate.html

$$$$
sennoside B.cdx
csChFnd80/01162513232D

 62 69  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (137)
1250

>  <Formula> (137)
C42H38O20

>  <MolWeight> (137)
862.73912

>  <Cat> (137)
S4018

>  <Name> (137)
Sennoside B

>  <Synonyms> (137)
N/A

>  <Target> (137)
PDGFR

>  <Form> (137)
Free Base

>  <CAS> (137)
128-57-4

>  <URL> (137)
http://selleckchem.com/products/sennoside-b.html

$$$$
QNZ.cdx
csChFnd80/01162513232D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (138)
1255

>  <Formula> (138)
C22H20N4O

>  <MolWeight> (138)
356.4204

>  <Cat> (138)
S4902

>  <Name> (138)
QNZ (EVP4593)

>  <Synonyms> (138)
N/A

>  <Target> (138)
NF-¦ÊB,TNF-alpha

>  <Form> (138)
free base

>  <CAS> (138)
545380-34-5

>  <URL> (138)
http://selleckchem.com/products/qnz-evp4593.html

$$$$
Cepharanthine.cdx
csChFnd80/01162513232D

 47 54  0  0  0  0  0  0  0  0999 V2000
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 33 32  1  6  0  0  0
M  END
>  <Mol_ID> (139)
1356

>  <Formula> (139)
C37H38N2O6

>  <MolWeight> (139)
606.70742

>  <Cat> (139)
S4238

>  <Name> (139)
Cepharanthine

>  <Synonyms> (139)
NSC-623442

>  <Target> (139)
TNF-alpha

>  <Form> (139)
free base

>  <CAS> (139)
481-49-2

>  <URL> (139)
http://selleckchem.com/products/cepharanthine.html

$$$$
Aloe-emodin.cdx
csChFnd80/01162513232D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
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 10  2  1  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (140)
1426

>  <Formula> (140)
C15H10O5

>  <MolWeight> (140)
270.2369

>  <Cat> (140)
S2259

>  <Name> (140)
Aloe-emodin

>  <Synonyms> (140)
NSC 38628, Rhabarberone

>  <Target> (140)
IFN

>  <Form> (140)
free base

>  <CAS> (140)
481-72-1

>  <URL> (140)
http://selleckchem.com/products/Aloe-emodin.html

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/01162513232D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (141)
1447

>  <Formula> (141)
C15H12O7

>  <MolWeight> (141)
304.25158

>  <Cat> (141)
S2366

>  <Name> (141)
Taxifolin (Dihydroquercetin)

>  <Synonyms> (141)
N/A

>  <Target> (141)
VEGFR

>  <Form> (141)
free base

>  <CAS> (141)
480-18-2

>  <URL> (141)
http://selleckchem.com/products/Taxifolin(Dihydroquercetin).html

$$$$
Diacerein.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (142)
1452

>  <Formula> (142)
C19H12O8

>  <MolWeight> (142)
368.29378

>  <Cat> (142)
S4267

>  <Name> (142)
Diacerein

>  <Synonyms> (142)
N/A

>  <Target> (142)
Interleukins

>  <Form> (142)
free base

>  <CAS> (142)
13739-02-1

>  <URL> (142)
http://selleckchem.com/products/diacerein.html

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/01162513232D

 34 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (143)
1494

>  <Formula> (143)
C24H25ClFN5O3

>  <MolWeight> (143)
485.9384032

>  <Cat> (143)
S1011

>  <Name> (143)
Afatinib (BIBW2992)

>  <Synonyms> (143)
BIBW2992

>  <Target> (143)
Autophagy,EGFR,HER2

>  <Form> (143)
Free Base

>  <CAS> (143)
850140-72-6

>  <URL> (143)
http://selleckchem.com/products/BIBW2992.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (144)
1507

>  <Formula> (144)
C25H31N7O6

>  <MolWeight> (144)
525.55694

>  <Cat> (144)
S2018

>  <Name> (144)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (144)
N/A

>  <Target> (144)
Aurora Kinase,FLT3,VEGFR

>  <Form> (144)
free base

>  <CAS> (144)
1291074-87-7

>  <URL> (144)
http://selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
PF-2341066.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (145)
1514

>  <Formula> (145)
C21H22Cl2FN5O

>  <MolWeight> (145)
450.3366832

>  <Cat> (145)
S1068

>  <Name> (145)
Crizotinib (PF-02341066)

>  <Synonyms> (145)
PF-02341066

>  <Target> (145)
ALK,Autophagy,c-Met,ROS1

>  <Form> (145)
free base

>  <CAS> (145)
877399-52-5

>  <URL> (145)
http://selleckchem.com/products/PF-2341066.html

$$$$
BMS-599626 (AC480).cdx
csChFnd80/01162513232D

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>  <Mol_ID> (146)
1524

>  <Formula> (146)
C27H27FN8O3

>  <MolWeight> (146)
530.5534832

>  <Cat> (146)
S1056

>  <Name> (146)
AC480 (BMS-599626)

>  <Synonyms> (146)
N/A

>  <Target> (146)
EGFR,HER2

>  <Form> (146)
free base

>  <CAS> (146)
714971-09-2

>  <URL> (146)
http://selleckchem.com/products/BMS-599626.html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (147)
1644

>  <Formula> (147)
C14H23ClN2O

>  <MolWeight> (147)
270.79822

>  <Cat> (147)
S4667

>  <Name> (147)
Lidocaine hydrochloride

>  <Synonyms> (147)
Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (147)
EGFR

>  <Form> (147)
hydrochloride

>  <CAS> (147)
73-78-9

>  <URL> (147)
http://selleckchem.com/products/lidocaine-hydrochloride.html

$$$$
S4736 Trapidil.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (148)
1679

>  <Formula> (148)
C10H15N5

>  <MolWeight> (148)
205.2596

>  <Cat> (148)
S4736

>  <Name> (148)
Trapidil

>  <Synonyms> (148)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (148)
PDGFR

>  <Form> (148)
free base

>  <CAS> (148)
15421-84-8

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

$$$$
S4738 Arctiin.cdx
csChFnd80/01162513232D

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 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 28 25  1  1  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  6  0  0  0
 31 34  1  0  0  0  0
 31 35  1  1  0  0  0
 32 36  1  1  0  0  0
 32 34  1  0  0  0  0
 34 37  1  6  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (149)
1683

>  <Formula> (149)
C27H34O11

>  <MolWeight> (149)
534.55226

>  <Cat> (149)
S4738

>  <Name> (149)
Arctiin

>  <Synonyms> (149)
Arctigenin-4-Glucoside, NSC 315527

>  <Target> (149)
AdipoR

>  <Form> (149)
free base

>  <CAS> (149)
20362-31-6

>  <URL> (149)
http://selleckchem.com/products/arctiin.html

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/01162513232D

 26 27  0  0  0  0  0  0  0  0999 V2000
   10.9118    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1346    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.1905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3366    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5501    2.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.2905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5549    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9906    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  2  0  0  0  0
  5  2  1  1  0  0  0
  3  6  2  0  0  0  0
  4  7  1  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 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (150)
1702

>  <Formula> (150)
C18H16O8

>  <MolWeight> (150)
360.31484

>  <Cat> (150)
S3612

>  <Name> (150)
Rosmarinic acid

>  <Synonyms> (150)
Rosemary acid

>  <Target> (150)
Complement System,I¦ÊB/IKK

>  <Form> (150)
free base

>  <CAS> (150)
20283-92-5

>  <URL> (150)
http://selleckchem.com/products/rosmarinic-acid.html

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/01162513232D

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.1810    2.1435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019    0.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    2.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.0618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0256    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488    4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    4.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (151)
1717

>  <Formula> (151)
C5H12N2S2

>  <MolWeight> (151)
164.29218

>  <Cat> (151)
S3633

>  <Name> (151)
Pyrrolidinedithiocarbamate ammonium

>  <Synonyms> (151)
APDC, PDTC, Pyrrolidine dithiocarbamic acid ammonium salt

>  <Target> (151)
NF-¦ÊB

>  <Form> (151)
ammonium salt

>  <CAS> (151)
5108-96-3

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

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/01162513232D

 65 69  0  0  0  0  0  0  0  0999 V2000
   13.3576    6.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    4.8745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3576    5.5532    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7147    4.8745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8573    4.8745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4287    3.4637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8752    9.1247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9289    5.5710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0894    6.9818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8573    3.4637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8573    7.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    2.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    7.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3216    7.6783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9289    6.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    5.5888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4287    4.8745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1074    9.8032    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7147    3.4637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5720    7.6783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3216    9.0890    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0894    5.5532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7863    9.8032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5720    9.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7863    6.9818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2143    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6607    9.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    2.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2860    3.4637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1434    3.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2328   11.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003    5.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5720    4.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9289    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7325    7.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7863    5.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2860    4.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0007    9.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0007    7.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6787   11.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    1.3744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0720   12.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5361    6.9639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    5.5888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    6.9996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1074   11.2142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5361    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7147    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3576    4.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465    9.1605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8398   11.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9110    1.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9647    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3756   11.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7863    8.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9289    4.1959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542    6.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860    2.1422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9466    5.8568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7147    2.1066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8607    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
 13  1  2  0  0  0  0
 20  1  1  0  0  0  0
  2  3  1  0  0  0  0
 31  2  1  0  0  0  0
  2 49  1  1  0  0  0
  8  2  1  0  0  0  0
 34  3  1  0  0  0  0
  3 51  1  6  0  0  0
  4  8  1  0  0  0  0
 19  4  1  0  0  0  0
 33  4  1  0  0  0  0
  4 50  1  1  0  0  0
  5 10  1  0  0  0  0
 16  5  1  0  0  0  0
  5 22  1  1  0  0  0
  6 12  1  0  0  0  0
 17  6  1  0  0  0  0
  6 27  1  6  0  0  0
  7 11  1  0  0  0  0
  7 28  1  6  0  0  0
 18  7  1  0  0  0  0
  8 15  1  0  0  0  0
  8 59  1  6  0  0  0
  9 22  1  0  0  0  0
 11  9  1  0  0  0  0
 14  9  1  0  0  0  0
  9 62  1  1  0  0  0
 10 29  1  0  0  0  0
 12 10  1  0  0  0  0
 10 61  1  6  0  0  0
 15 13  1  0  0  0  0
 21 14  1  0  0  0  0
 14 44  1  1  0  0  0
 36 15  2  0  0  0  0
 16 46  1  6  0  0  0
 16 17  1  0  0  0  0
 17 45  1  1  0  0  0
 18 21  1  0  0  0  0
 18 47  1  1  0  0  0
 23 19  1  0  0  0  0
 19 63  1  6  0  0  0
 19 35  1  0  0  0  0
 25 20  1  0  0  0  0
 26 20  1  0  0  0  0
 20 60  1  6  0  0  0
 21 48  1  6  0  0  0
 55 23  1  0  0  0  0
 56 23  1  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  1  0  0  0
 24 57  1  6  0  0  0
 39 24  1  0  0  0  0
 37 26  1  0  0  0  0
 40 26  1  0  0  0  0
 26 58  1  1  0  0  0
 42 27  2  0  0  0  0
 52 27  1  0  0  0  0
 41 28  2  0  0  0  0
 53 28  1  0  0  0  0
 30 29  1  1  0  0  0
 30 38  1  0  0  0  0
 35 31  1  0  0  0  0
 43 32  2  0  0  0  0
 54 32  1  0  0  0  0
 38 33  1  0  0  0  0
 37 34  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (152)
1718

>  <Formula> (152)
C42H68N2O16

>  <MolWeight> (152)
856.99312

>  <Cat> (152)
S3622

>  <Name> (152)
Diammonium Glycyrrhizinate

>  <Synonyms> (152)
N/A

>  <Target> (152)
Immunology & Inflammation related

>  <Form> (152)
ammonium salt

>  <CAS> (152)
79165-06-3

>  <URL> (152)
http://selleckchem.com/products/diammonium-glycyrrhizinate.html

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/01162513232D

 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
    1.2115    2.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    0.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    4.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    4.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    0.0743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    0.0749    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8548    4.9732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    4.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0638    4.2752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    4.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    6.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4922    4.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4998    7.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6974    4.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7264    6.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    7.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500    6.3570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    8.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3566    7.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5727    6.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7840    7.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7840    8.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9977    6.3502    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1752   11.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752   11.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   18.3855    6.3438    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  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
 19 21  2  0  0  0  0
 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
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (153)
1786

>  <Formula> (153)
C17H17N3Na2O8

>  <MolWeight> (153)
437.31172

>  <Cat> (153)
S3745

>  <Name> (153)
Balsalazide disodium

>  <Synonyms> (153)
N/A

>  <Target> (153)
Immunology & Inflammation related,Interleukins,STAT

>  <Form> (153)
disodium salt dihydrate

>  <CAS> (153)
150399-21-6

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

$$$$
S3741 Benznidazole.cdx
csChFnd80/01162513232D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.9726    1.7626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    2.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830    0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850    2.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8043    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621    3.6202    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.5043    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3804    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    4.6102    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6010    2.4772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3804    0.3820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8093    1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0238    2.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0238    3.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2352    1.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2357    4.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4482    2.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4479    3.8819    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  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  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
M  END
>  <Mol_ID> (154)
1809

>  <Formula> (154)
C12H12N4O3

>  <MolWeight> (154)
260.24868

>  <Cat> (154)
S3741

>  <Name> (154)
Benznidazole

>  <Synonyms> (154)
Radanil

>  <Target> (154)
Parasite

>  <Form> (154)
free base

>  <CAS> (154)
22994-85-0

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

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/01162513232D

 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
    6.1209    2.8429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9085    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0173    4.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (155)
1827

>  <Formula> (155)
C18H22O4

>  <MolWeight> (155)
302.36488

>  <Cat> (155)
S3984

>  <Name> (155)
Nordihydroguaiaretic acid (NDGA)

>  <Synonyms> (155)
N/A

>  <Target> (155)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Ferroptosis,HER2,IGF-1R,Lipoxygenase

>  <Form> (155)
free base

>  <CAS> (155)
500-38-9

>  <URL> (155)
http://selleckchem.com/products/nordihydroguaiaretic-acid.html

$$$$
S3822 Schisandrin A.cdx
csChFnd80/01162513232D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.9215    5.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9186    6.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5700    4.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9134    4.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655    6.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9063    7.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2105    3.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5779    5.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5540    2.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3134    4.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2002    8.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    6.4413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5412    8.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3063    7.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024    2.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590    2.9636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2263    5.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3013    5.0541    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1881    9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8473    8.5174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2984    6.4541    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8430    0.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4993    1.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8230   10.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4820    9.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8351    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8107   11.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5907    6.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5959    4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 15  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 19  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 18 22  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
 22 29  1  6  0  0  0
 18 30  1  6  0  0  0
M  END
>  <Mol_ID> (156)
1837

>  <Formula> (156)
C24H32O6

>  <MolWeight> (156)
416.50728

>  <Cat> (156)
S3822

>  <Name> (156)
Schisandrin A

>  <Synonyms> (156)
Deoxyschizandrin, Wuweizisu A

>  <Target> (156)
AdipoR

>  <Form> (156)
free base

>  <CAS> (156)
61281-38-7

>  <URL> (156)
http://selleckchem.com/products/schisandrin-a.html

$$$$
S3827 Royal jelly acid.cdx
csChFnd80/01162513232D

 13 12  0  0  0  0  0  0  0  0999 V2000
    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 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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    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
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (157)
1842

>  <Formula> (157)
C10H18O3

>  <MolWeight> (157)
186.24812

>  <Cat> (157)
S3827

>  <Name> (157)
Royal jelly acid

>  <Synonyms> (157)
10-Hydroxy-trans-2-decenoic acid, 10H2DA

>  <Target> (157)
IFN

>  <Form> (157)
free base

>  <CAS> (157)
14113-05-4

>  <URL> (157)
http://selleckchem.com/products/royal-jelly-acid.html

$$$$
S3759 Norcantharidin.cdx
csChFnd80/01162513232D

 12 14  0  0  0  0  0  0  0  0999 V2000
    0.2182    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    1.4028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5609    1.7635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5640    3.1635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2213    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.8028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7168    2.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444    3.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4040    4.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197    0.0000    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
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  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  4  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (158)
1863

>  <Formula> (158)
C8H8O4

>  <MolWeight> (158)
168.14672

>  <Cat> (158)
S3759

>  <Name> (158)
Norcantharidin

>  <Synonyms> (158)
Endothall anhydride

>  <Target> (158)
c-Met,EGFR

>  <Form> (158)
free base

>  <CAS> (158)
29745-04-8

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

$$$$
S3931 Ginsenoside Rd.cdx
csChFnd80/01162513232D

 69 75  0  0  0  0  0  0  0  0999 V2000
   13.4161    8.4662    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5923    7.7521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1667    7.7521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4161    9.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8733    8.4662    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5923    6.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5923    8.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667    6.2925    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9275    8.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667    9.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5923   10.6190    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8733    9.8628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.2069    8.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8733    7.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4161    5.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9275    5.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7093    7.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5923   11.9842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2069   10.3669    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.0472    9.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (159)
1932

>  <Formula> (159)
C48H82O18

>  <MolWeight> (159)
947.15388

>  <Cat> (159)
S3931

>  <Name> (159)
Ginsenoside Rd

>  <Synonyms> (159)
Panaxoside Rd, Sanchinoside Rd

>  <Target> (159)
Calcium Channel,COX,NF-¦ÊB,NOS,P450 (e.g. CYP17)

>  <Form> (159)
free base

>  <CAS> (159)
52705-93-8

>  <URL> (159)
http://selleckchem.com/products/ginsenoside-rd.html

$$$$
PD168393.cdx
csChFnd80/01162513232D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (160)
1944

>  <Formula> (160)
C17H13BrN4O

>  <MolWeight> (160)
369.21532

>  <Cat> (160)
S7039

>  <Name> (160)
PD168393

>  <Synonyms> (160)
N/A

>  <Target> (160)
EGFR

>  <Form> (160)
free base

>  <CAS> (160)
194423-15-9

>  <URL> (160)
http://selleckchem.com/products/pd168393.html

$$$$
LDK378.cdx
csChFnd80/01162513232D

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 38 33  1  0  0  0  0
M  END
>  <Mol_ID> (161)
1952

>  <Formula> (161)
C28H36ClN5O3S

>  <MolWeight> (161)
558.13514

>  <Cat> (161)
S7083

>  <Name> (161)
Ceritinib (LDK378)

>  <Synonyms> (161)
N/A

>  <Target> (161)
ALK,FLT3,IGF-1R,Serine/threonin kinase

>  <Form> (161)
free base

>  <CAS> (161)
1032900-25-6

>  <URL> (161)
http://selleckchem.com/products/ldk378.html

$$$$
CNX-2006.cdx
csChFnd80/01162513232D

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1958

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>  <MolWeight> (162)
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>  <Cat> (162)
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>  <Name> (162)
CNX-2006

>  <Synonyms> (162)
N/A

>  <Target> (162)
EGFR

>  <Form> (162)
free base

>  <CAS> (162)
1375465-09-0

>  <URL> (162)
http://selleckchem.com/products/cnx-2006.html

$$$$
untitled.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (163)
1963

>  <Formula> (163)
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>  <MolWeight> (163)
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>  <Cat> (163)
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>  <Name> (163)
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>  <Synonyms> (163)
N/A

>  <Target> (163)
ALK,Apoptosis related,Autophagy,IGF-1R

>  <Form> (163)
free base

>  <CAS> (163)
1356962-20-3

>  <URL> (163)
http://selleckchem.com/products/azd3463.html

$$$$
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M  END
>  <Mol_ID> (164)
1975

>  <Formula> (164)
C54H92O23

>  <MolWeight> (164)
1109.29448

>  <Cat> (164)
S3924

>  <Name> (164)
Ginsenoside Rb1

>  <Synonyms> (164)
Gypenoside ¢ó

>  <Target> (164)
ATPase,IFN,IRAK,NF-¦ÊB,NOS,TLR,TNF-alpha

>  <Form> (164)
free base

>  <CAS> (164)
41753-43-9

>  <URL> (164)
http://selleckchem.com/products/ginsenoside-rb1.html

$$$$
S4763 4-Hydroxychalcone.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (165)
2034

>  <Formula> (165)
C15H12O2

>  <MolWeight> (165)
224.25458

>  <Cat> (165)
S4763

>  <Name> (165)
4-Hydroxychalcone

>  <Synonyms> (165)
P-Cinnamoylphenol

>  <Target> (165)
NF-¦ÊB

>  <Form> (165)
free base

>  <CAS> (165)
20426-12-4

>  <URL> (165)
http://selleckchem.com/products/4-hydroxychalcone.html

$$$$
S3951 Tannic acid.cdx
csChFnd80/01162513232D

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 91102  1  0  0  0  0
 91103  1  0  0  0  0
 92104  1  0  0  0  0
 92102  2  0  0  0  0
 93105  1  0  0  0  0
 93106  2  0  0  0  0
 95107  2  0  0  0  0
 95108  1  0  0  0  0
 96109  1  0  0  0  0
 96107  1  0  0  0  0
 97110  1  0  0  0  0
100111  1  0  0  0  0
100112  1  0  0  0  0
101113  1  0  0  0  0
101111  2  0  0  0  0
102114  1  0  0  0  0
105115  2  0  0  0  0
106116  1  0  0  0  0
107117  1  0  0  0  0
111118  1  0  0  0  0
115119  1  0  0  0  0
115120  1  0  0  0  0
116121  1  0  0  0  0
116119  2  0  0  0  0
119122  1  0  0  0  0
M  END
>  <Mol_ID> (166)
2042

>  <Formula> (166)
C76H52O46

>  <MolWeight> (166)
1701.19848

>  <Cat> (166)
S3951

>  <Name> (166)
Tannic acid

>  <Synonyms> (166)
Gallotannic acid

>  <Target> (166)
CXCR

>  <Form> (166)
free base

>  <CAS> (166)
1401-55-4

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

$$$$
S4966 4-Methylesculetin.cdx
csChFnd80/01162513232D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8  9  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (167)
2155

>  <Formula> (167)
C10H8O4

>  <MolWeight> (167)
192.16812

>  <Cat> (167)
S4966

>  <Name> (167)
4-Methylesculetin

>  <Synonyms> (167)
N/A

>  <Target> (167)
Immunology & Inflammation related,Interleukins,Peroxidases

>  <Form> (167)
free base

>  <CAS> (167)
529-84-0

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

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/01162513232D

 32 32  0  0  0  0  0  0  0  0999 V2000
   11.0894    3.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6853    3.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5365    2.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0148    4.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2756    2.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7334    4.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4129    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9090    1.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3873    4.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9077    1.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3785    4.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4282    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8344    3.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9467    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2069    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1323    3.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6308    3.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5048    3.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2732    3.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4302    4.5582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3164    4.3612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8027    4.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9831    5.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9539    4.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7267    5.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7281    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9085    6.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7728    6.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3465   11.0407    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9465   11.0407    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  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 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (168)
2164

>  <Formula> (168)
C25H36Cl2N2O3

>  <MolWeight> (168)
483.47094

>  <Cat> (168)
S5020

>  <Name> (168)
Tilorone dihydrochloride

>  <Synonyms> (168)
N/A

>  <Target> (168)
Antiviral,IFN

>  <Form> (168)
dihydrochloride

>  <CAS> (168)
27591-69-1

>  <URL> (168)
http://selleckchem.com/products/tilorone-dihydrochloride.html

$$$$
S4937 4'-Hydroxychalcone.cdx
csChFnd80/01162513232D

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.2689    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2689    3.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5114    1.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4818    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7280    2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7100    3.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9281    4.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (169)
2167

>  <Formula> (169)
C15H12O2

>  <MolWeight> (169)
224.25458

>  <Cat> (169)
S4937

>  <Name> (169)
4'-Hydroxychalcone

>  <Synonyms> (169)
P-Cinnamoylphenol

>  <Target> (169)
NF-¦ÊB

>  <Form> (169)
free base

>  <CAS> (169)
2657-25-2

>  <URL> (169)
http://selleckchem.com/products/hydroxychalcone.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/01162513232D

 68 74  0  0  0  0  0  0  0  0999 V2000
    6.9238    8.9622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.6762    9.6479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9525    7.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8666   10.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0475   11.0288    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3238    9.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0285    8.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5239    8.9905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.8666   11.7715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.5239    7.5525    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.1905   16.9907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1525   18.1717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 22 26  1  0  0  0  0
 23 29  1  0  0  0  0
 23 30  1  1  0  0  0
 31 24  1  1  0  0  0
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 31 38  1  0  0  0  0
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 40 34  1  0  0  0  0
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 38 45  1  0  0  0  0
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 39 47  2  0  0  0  0
 40 48  1  0  0  0  0
 40 49  1  1  0  0  0
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 43 51  1  0  0  0  0
 44 52  1  0  0  0  0
 44 53  1  1  0  0  0
 45 54  1  1  0  0  0
 45 52  1  0  0  0  0
 47 55  1  0  0  0  0
 47 56  1  0  0  0  0
 48 57  1  0  0  0  0
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 61 63  1  6  0  0  0
 19 67  1  6  0  0  0
 48 68  1  6  0  0  0
M  END
>  <Mol_ID> (170)
2175

>  <Formula> (170)
C47H80O18

>  <MolWeight> (170)
933.1273

>  <Cat> (170)
S3785

>  <Name> (170)
Notoginsenoside R1

>  <Synonyms> (170)
Sanchinoside R1, NG-R1, NGR1

>  <Target> (170)
Akt,ERK,PAI-1,PI3K

>  <Form> (170)
free base

>  <CAS> (170)
80418-24-2

>  <URL> (170)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
S3969 Veratric acid.cdx
csChFnd80/01162513232D

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    1.2140    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    4.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389    2.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144    0.7004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    4.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0009    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    2.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Mol_ID> (171)
2178

>  <Formula> (171)
C9H10O4

>  <MolWeight> (171)
182.1733

>  <Cat> (171)
S3969

>  <Name> (171)
Veratric acid

>  <Synonyms> (171)
3,4-Dimethoxybenzoic acid

>  <Target> (171)
COX,Immunology & Inflammation related,Interleukins,PGES

>  <Form> (171)
free base

>  <CAS> (171)
93-07-2

>  <URL> (171)
http://selleckchem.com/products/veratric-acid.html

$$$$
SNS-314 Mesylate.cdx
csChFnd80/01162513232D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.1148    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    3.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    5.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    5.6707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    3.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    7.4035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7437    7.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1677    8.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0982    9.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5552    8.4262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7283    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1283    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  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
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 24 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (172)
2189

>  <Formula> (172)
C19H19ClN6O4S3

>  <MolWeight> (172)
527.03996

>  <Cat> (172)
S1154

>  <Name> (172)
SNS-314

>  <Synonyms> (172)
N/A

>  <Target> (172)
Aurora Kinase

>  <Form> (172)
Mesylate

>  <CAS> (172)
1057249-41-8

>  <URL> (172)
http://selleckchem.com/products/sns-314-mesylate.html

$$$$
PQ 401.cdx
csChFnd80/01162513232D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0588    4.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6363    0.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8517    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0020    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    4.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2670    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    8.3880    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877    2.1002    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
  2  4  1  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
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  9 14  1  0  0  0  0
  6 15  1  0  0  0  0
  4  8  1  0  0  0  0
  1 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
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 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (173)
2200

>  <Formula> (173)
C18H16ClN3O2

>  <MolWeight> (173)
341.79154

>  <Cat> (173)
S8003

>  <Name> (173)
PQ 401

>  <Synonyms> (173)
N/A

>  <Target> (173)
IGF-1R

>  <Form> (173)
free base

>  <CAS> (173)
196868-63-0

>  <URL> (173)
http://selleckchem.com/products/pq-401.html

$$$$
AP26113.cdx
csChFnd80/01162513232D

 36 39  0  0  0  0  0  0  0  0999 V2000
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   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    7.0000    0.0000 Cl  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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  3  8  1  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 10 15  1  0  0  0  0
  8  9  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 31  1  0  0  0  0
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 32 34  1  0  0  0  0
 29 32  1  0  0  0  0
 22 26  1  0  0  0  0
  7 19  1  0  0  0  0
  4 35  1  0  0  0  0
 25 36  1  0  0  0  0
M  END
>  <Mol_ID> (174)
2202

>  <Formula> (174)
C26H34ClN6O2P

>  <MolWeight> (174)
529.013921

>  <Cat> (174)
S7000

>  <Name> (174)
AP26113-analog (ALK-IN-1)

>  <Synonyms> (174)
N/A

>  <Target> (174)
ALK,EGFR

>  <Form> (174)
free base

>  <CAS> (174)
1197958-12-5

>  <URL> (174)
http://selleckchem.com/products/ap26113.html

$$$$
AZ5104.cdx
csChFnd80/01162513232D

 36 39  0  0  0  0  0  0  0  0999 V2000
    2.2264    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (175)
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>  <Formula> (175)
C27H31N7O2

>  <MolWeight> (175)
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>  <Cat> (175)
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>  <Name> (175)
AZ5104

>  <Synonyms> (175)
N/A

>  <Target> (175)
EGFR

>  <Form> (175)
free base

>  <CAS> (175)
1421373-98-9

>  <URL> (175)
http://selleckchem.com/products/az5104.html

$$$$
NPS-1034.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (176)
2240

>  <Formula> (176)
C31H23F2N5O3

>  <MolWeight> (176)
551.5428264

>  <Cat> (176)
S7669

>  <Name> (176)
NPS-1034

>  <Synonyms> (176)
N/A

>  <Target> (176)
Axl,c-Met

>  <Form> (176)
free base

>  <CAS> (176)
1221713-92-3

>  <URL> (176)
http://selleckchem.com/products/nps-1034.html

$$$$
FLLL32.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (177)
2259

>  <Formula> (177)
C28H32O6

>  <MolWeight> (177)
464.55008

>  <Cat> (177)
S7259

>  <Name> (177)
FLLL32

>  <Synonyms> (177)
N/A

>  <Target> (177)
IFN,Interleukins,JAK

>  <Form> (177)
free base

>  <CAS> (177)
1226895-15-3

>  <URL> (177)
http://selleckchem.com/products/flll32.html

$$$$
Vidofludimus .cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (178)
2269

>  <Formula> (178)
C20H18FNO4

>  <MolWeight> (178)
355.3596232

>  <Cat> (178)
S7262

>  <Name> (178)
Vidofludimus

>  <Synonyms> (178)
SC12267, 4SC-101

>  <Target> (178)
COVID-19,Dehydrogenase

>  <Form> (178)
free base

>  <CAS> (178)
717824-30-1

>  <URL> (178)
http://selleckchem.com/products/vidofludimus.html

$$$$
Tiplaxtinin(PAI-039).cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (179)
2271

>  <Formula> (179)
C24H16F3NO4

>  <MolWeight> (179)
439.3833496

>  <Cat> (179)
S7922

>  <Name> (179)
Tiplaxtinin (PAI-039)

>  <Synonyms> (179)
N/A

>  <Target> (179)
PAI-1

>  <Form> (179)
free base

>  <CAS> (179)
393105-53-8

>  <URL> (179)
http://selleckchem.com/products/tiplaxtinin-pai-039.html

$$$$

csChFnd80/01162513232D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (180)
2279

>  <Formula> (180)
C17H16N2O3

>  <MolWeight> (180)
296.32054

>  <Cat> (180)
S7667

>  <Name> (180)
SU5402

>  <Synonyms> (180)
N/A

>  <Target> (180)
FGFR,PDGFR,VEGFR

>  <Form> (180)
free base

>  <CAS> (180)
215543-92-3

>  <URL> (180)
http://selleckchem.com/products/su5402.html

$$$$
UNC2025.cdx
csChFnd80/01162513232D

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M  CFW  15 BOND_GSTEREO 5
M  CFW  38 BOND_GSTEREO 4
M  END
>  <Mol_ID> (181)
2281

>  <Formula> (181)
C28H41ClN6O

>  <MolWeight> (181)
513.11774

>  <Cat> (181)
S7576

>  <Name> (181)
UNC2025 HCl

>  <Synonyms> (181)
UNC2025 hydrochloride

>  <Target> (181)
Axl,FLT3,Mertk,Tyro3

>  <Form> (181)
hydrochloride salt

>  <CAS> (181)
2070015-17-5

>  <URL> (181)
http://selleckchem.com/products/unc-2025.html

$$$$
ONC201.cdx
csChFnd80/01162513232D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (182)
2283

>  <Formula> (182)
C24H26N4O

>  <MolWeight> (182)
386.48944

>  <Cat> (182)
S7963

>  <Name> (182)
TIC10 (ONC201)

>  <Synonyms> (182)
ONC201

>  <Target> (182)
Akt,Apoptosis related,ERK,TNF-alpha

>  <Form> (182)
free base

>  <CAS> (182)
1616632-77-9

>  <URL> (182)
http://selleckchem.com/products/tic-10.html

$$$$
S3871 Muscone.cdx
csChFnd80/01162513232D

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    2.2023    1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7839    0.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
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M  END
>  <Mol_ID> (183)
2307

>  <Formula> (183)
C16H30O

>  <MolWeight> (183)
238.4088

>  <Cat> (183)
S3871

>  <Name> (183)
Muscone

>  <Synonyms> (183)
3-Methylcyclopentadecanone, Methylexaltone

>  <Target> (183)
Immunology & Inflammation related,Interleukins,NF-¦ÊB,NLRP3,TNF-alpha

>  <Form> (183)
free base

>  <CAS> (183)
541-91-3

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

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/01162513232D

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  1 10  1  0  0  0  0
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 11 12  1  1  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (184)
2311

>  <Formula> (184)
C17H15N9

>  <MolWeight> (184)
345.3613

>  <Cat> (184)
S7674

>  <Name> (184)
Savolitinib (AZD6094)

>  <Synonyms> (184)
HMPL-504, Volitinib

>  <Target> (184)
c-Met

>  <Form> (184)
free base

>  <CAS> (184)
1313725-88-0

>  <URL> (184)
http://selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
SC144.cdx
csChFnd80/01162513232D

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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (185)
2323

>  <Formula> (185)
C16H11FN6O

>  <MolWeight> (185)
322.2965432

>  <Cat> (185)
S7124

>  <Name> (185)
SC144

>  <Synonyms> (185)
N/A

>  <Target> (185)
P-gp

>  <Form> (185)
free base

>  <CAS> (185)
895158-95-9

>  <URL> (185)
http://selleckchem.com/products/sc144.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/01162513232D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (186)
2329

>  <Formula> (186)
C17H13N5

>  <MolWeight> (186)
287.31862

>  <Cat> (186)
S7223

>  <Name> (186)
RepSox (E-616452)

>  <Synonyms> (186)
SJN 2511,ALK5 Inhibitor II

>  <Target> (186)
TGF-beta/Smad

>  <Form> (186)
free base

>  <CAS> (186)
446859-33-2

>  <URL> (186)
http://selleckchem.com/products/repsox.html

$$$$
CO-1686(AVL-301).cdx
csChFnd80/01162513232D

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AVL-301

>  <Target> (187)
EGFR

>  <Form> (187)
free base

>  <CAS> (187)
1374640-70-6

>  <URL> (187)
http://selleckchem.com/products/co-1686.html

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csChFnd80/01162513232D

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S4345

>  <Name> (188)
Pentoxifylline

>  <Synonyms> (188)
N/A

>  <Target> (188)
PDE

>  <Form> (188)
Free Base

>  <CAS> (188)
6493-05-6

>  <URL> (188)
http://www.selleckchem.com/products/pentoxifylline.html

$$$$
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csChFnd80/01162513232D

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C18H15N2NaO4

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346.31247

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S7167

>  <Name> (189)
SSR128129E

>  <Synonyms> (189)
SSR

>  <Target> (189)
FGFR

>  <Form> (189)
free base

>  <CAS> (189)
848318-25-2

>  <URL> (189)
http://selleckchem.com/products/ssr128129e.html

$$$$
Sorafenib.cdx
csChFnd80/01162513232D

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>  <Formula> (190)
C21H16ClF3N4O3

>  <MolWeight> (190)
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>  <Cat> (190)
S7397

>  <Name> (190)
Sorafenib (BAY 43-9006)

>  <Synonyms> (190)
NSC-724772,BAY 43-9006

>  <Target> (190)
Apoptosis related,Autophagy,Ferroptosis,FLT3,PDGFR,Raf,VEGFR

>  <Form> (190)
Free Base

>  <CAS> (190)
284461-73-0

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

$$$$
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csChFnd80/01162513232D

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>  <Formula> (191)
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>  <MolWeight> (191)
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>  <Cat> (191)
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>  <Name> (191)
K02288

>  <Synonyms> (191)
N/A

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

>  <Form> (191)
free base

>  <CAS> (191)
1431985-92-0

>  <URL> (191)
http://selleckchem.com/products/k02288.html

$$$$
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csChFnd80/01162513232D

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free base

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924416-43-3

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VEGFR

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free base

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1225451-84-2

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http://selleckchem.com/products/sklb1002.html

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free base

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6501-72-0

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ML347

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free base

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1062368-49-3

>  <URL> (195)
http://selleckchem.com/products/ml347.html

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1432597-26-6

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EGFR

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1421373-65-0

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http://selleckchem.com/products/azd9291.html

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M  END
>  <Mol_ID> (201)
2516

>  <Formula> (201)
C26H37N5O5

>  <MolWeight> (201)
499.60248

>  <Cat> (201)
S7434

>  <Name> (201)
TAPI-1

>  <Synonyms> (201)
N/A

>  <Target> (201)
Immunology & Inflammation related,MMP

>  <Form> (201)
free base

>  <CAS> (201)
171235-71-5

>  <URL> (201)
http://selleckchem.com/products/tapi-1.html

$$$$
GNF5837.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (202)
2564

>  <Formula> (202)
C28H21F4N5O2

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535.4922528

>  <Cat> (202)
S7519

>  <Name> (202)
GNF-5837

>  <Synonyms> (202)
N/A

>  <Target> (202)
Trk receptor

>  <Form> (202)
free base

>  <CAS> (202)
1033769-28-6

>  <URL> (202)
http://selleckchem.com/products/gnf-5837.html

$$$$
LY2874455.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (203)
2568

>  <Formula> (203)
C21H19Cl2N5O2

>  <MolWeight> (203)
444.31386

>  <Cat> (203)
S7057

>  <Name> (203)
LY2874455

>  <Synonyms> (203)
N/A

>  <Target> (203)
FGFR,VEGFR

>  <Form> (203)
free base

>  <CAS> (203)
1254473-64-7

>  <URL> (203)
http://selleckchem.com/products/ly2874455.html

$$$$
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2576

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C25H25BrN6O2

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N/A

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FLT3

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free base

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1457983-28-6

>  <URL> (204)
http://selleckchem.com/products/g-749.html

$$$$
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csChFnd80/01162513232D

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2577

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C22H18FN7

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Vactosertib (TEW-7197)

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EW-7197

>  <Target> (205)
TGF-beta/Smad

>  <Form> (205)
free base

>  <CAS> (205)
1352608-82-2

>  <URL> (205)
http://selleckchem.com/products/ew-7197.html

$$$$
Kartogenin.cdx
csChFnd80/01162513232D

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2578

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C20H15NO3

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317.338

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S7658

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Kartogenin

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KGN

>  <Target> (206)
TGF-beta/Smad

>  <Form> (206)
free base

>  <CAS> (206)
4727-31-5

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

$$$$
SB225002.cdx
csChFnd80/01162513232D

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2590

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C13H10BrN3O4

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352.1402

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SB225002

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N/A

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CXCR

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free base

>  <CAS> (207)
182498-32-4

>  <URL> (207)
http://selleckchem.com/products/sb225002.html

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/01162513232D

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2605

>  <Formula> (208)
C22H22O8

>  <MolWeight> (208)
414.40528

>  <Cat> (208)
S7668

>  <Name> (208)
Picropodophyllin (PPP)

>  <Synonyms> (208)
AXL1717

>  <Target> (208)
Apoptosis related,IGF-1R

>  <Form> (208)
free base

>  <CAS> (208)
477-47-4

>  <URL> (208)
http://selleckchem.com/products/picropodophyllin-ppp.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (209)
2620

>  <Formula> (209)
C23H21Cl2FN4O3

>  <MolWeight> (209)
491.3422432

>  <Cat> (209)
S7358

>  <Name> (209)
Poziotinib (HM781-36B)

>  <Synonyms> (209)
NOV120101

>  <Target> (209)
Apoptosis related,EGFR,HER2

>  <Form> (209)
free base

>  <CAS> (209)
1092364-38-9

>  <URL> (209)
http://selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
SD208.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (210)
2634

>  <Formula> (210)
C17H10ClFN6

>  <MolWeight> (210)
352.7529032

>  <Cat> (210)
S7624

>  <Name> (210)
SD-208

>  <Synonyms> (210)
N/A

>  <Target> (210)
TGF-beta/Smad

>  <Form> (210)
free base

>  <CAS> (210)
627536-09-8

>  <URL> (210)
http://selleckchem.com/products/sd-208.html

$$$$
LDC1267.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (211)
2639

>  <Formula> (211)
C30H26F2N4O5

>  <MolWeight> (211)
560.5480464

>  <Cat> (211)
S7638

>  <Name> (211)
LDC1267

>  <Synonyms> (211)
N/A

>  <Target> (211)
Axl,Mertk,Tyro3

>  <Form> (211)
free base

>  <CAS> (211)
1361030-48-9

>  <URL> (211)
http://selleckchem.com/products/ldc1267.html

$$$$

csChFnd80/01162513232D

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>  <Mol_ID> (212)
2642

>  <Formula> (212)
C24H29FN6O5

>  <MolWeight> (212)
500.5226632

>  <Cat> (212)
S7765

>  <Name> (212)
Dovitinib (TKI258) Lactate monohydrate

>  <Synonyms> (212)
CHIR258

>  <Target> (212)
c-Kit,FGFR,FLT3,PDGFR,VEGFR

>  <Form> (212)
Lactate monohydrate

>  <CAS> (212)
915769-50-5 (monohydrate)

>  <URL> (212)
http://selleckchem.com/products/dovitinib-tki258-lactate.html

$$$$
BLZ945.cdx
csChFnd80/01162513232D

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Sotuletinib

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CSF-1R

>  <Form> (213)
free base

>  <CAS> (213)
953769-46-5

>  <URL> (213)
http://selleckchem.com/products/blz945.html

$$$$
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Zoligratinib (Debio-1347)

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CH5183284, FF284

>  <Target> (214)
FGFR

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free base

>  <CAS> (214)
1265229-25-1

>  <URL> (214)
http://selleckchem.com/products/ch5183284-debio-1347.html

$$$$
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ANA-12

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N/A

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Trk receptor

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free base

>  <CAS> (215)
219766-25-3

>  <URL> (215)
http://selleckchem.com/products/ana-12.html

$$$$
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Dasatinib Monohydrate

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BMS-354825 Monohydrate

>  <Target> (216)
Bcr-Abl,c-Kit,Src

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>  <CAS> (216)
863127-77-9

>  <URL> (216)
http://selleckchem.com/products/dasatinib-monohydrate.html

$$$$
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   12.0025    0.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6134    2.2991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0590    3.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1080    4.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  3 25  2  0  0  0  0
 25 12  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (217)
2657

>  <Formula> (217)
C22H27FN4O2

>  <MolWeight> (217)
398.4737832

>  <Cat> (217)
S7781

>  <Name> (217)
Sunitinib (SU11248)

>  <Synonyms> (217)
SU11248

>  <Target> (217)
Apoptosis related,Autophagy,c-Kit,IRE1,PDGFR,VEGFR

>  <Form> (217)
free base

>  <CAS> (217)
557795-19-4

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

$$$$
Erlotinib free Base.cdx
csChFnd80/01162513232D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 18 19  1  0  0  0  0
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 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (218)
2659

>  <Formula> (218)
C22H23N3O4

>  <MolWeight> (218)
393.43572

>  <Cat> (218)
S7786

>  <Name> (218)
Erlotinib (OSI-774)

>  <Synonyms> (218)
CP358774, NSC 718781, Tarceva

>  <Target> (218)
Autophagy,EGFR

>  <Form> (218)
free base

>  <CAS> (218)
183321-74-6

>  <URL> (218)
http://selleckchem.com/products/erlotinib.html

$$$$
CL-387785.cdx
csChFnd80/01162513232D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0593    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6966    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6966    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5463    2.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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 21  1  1  0  0  0  0
 18  2  2  0  0  0  0
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 24 19  2  0  0  0  0
M  END
>  <Mol_ID> (219)
2660

>  <Formula> (219)
C18H13BrN4O

>  <MolWeight> (219)
381.22602

>  <Cat> (219)
S7557

>  <Name> (219)
CL-387785 (EKI-785)

>  <Synonyms> (219)
WAY-EKI 785

>  <Target> (219)
EGFR

>  <Form> (219)
free base

>  <CAS> (219)
194423-06-8

>  <URL> (219)
http://selleckchem.com/products/cl-387785-eki-785.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/01162513232D

 50 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (220)
2670

>  <Formula> (220)
C32H33ClFN5O11

>  <MolWeight> (220)
718.0827232

>  <Cat> (220)
S7810

>  <Name> (220)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (220)
N/A

>  <Target> (220)
Autophagy,EGFR,HER2

>  <Form> (220)
Dimaleate

>  <CAS> (220)
850140-73-7

>  <URL> (220)
http://selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
LDN-214117.cdx
csChFnd80/01162513232D

 31 34  0  0  0  0  0  0  0  0999 V2000
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N/A

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TGF-beta/Smad

>  <Form> (221)
free base

>  <CAS> (221)
1627503-67-6

>  <URL> (221)
http://selleckchem.com/products/ldn-214117.html

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N/A

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c-Kit,FLT3,PDGFR,VEGFR

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free base

>  <CAS> (222)
883986-34-3

>  <URL> (222)
http://selleckchem.com/products/azd2932.html

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>  <Mol_ID> (223)
2693

>  <Formula> (223)
C31H33FN6O3

>  <MolWeight> (223)
556.6305232

>  <Cat> (223)
S7799

>  <Name> (223)
Pexmetinib (ARRY-614)

>  <Synonyms> (223)
N/A

>  <Target> (223)
p38 MAPK,Tie-2

>  <Form> (223)
free base

>  <CAS> (223)
945614-12-0

>  <URL> (223)
http://selleckchem.com/products/pexmetinib-arry-614.html

$$$$
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csChFnd80/01162513232D

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>  <Mol_ID> (224)
2698

>  <Formula> (224)
C20H15ClF3N5

>  <MolWeight> (224)
417.8148096

>  <Cat> (224)
S7818

>  <Name> (224)
Pexidartinib (PLX3397)

>  <Synonyms> (224)
N/A

>  <Target> (224)
Apoptosis related,c-Kit,CSF-1R,FLT3

>  <Form> (224)
free base

>  <CAS> (224)
1029044-16-3

>  <URL> (224)
http://selleckchem.com/products/pexidartinib-plx3397.html

$$$$
Entrectinib (RXDX-101, NMS-E628).cdx
csChFnd80/01162513232D

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>  <Mol_ID> (225)
2716

>  <Formula> (225)
C31H34F2N6O2

>  <MolWeight> (225)
560.6374664

>  <Cat> (225)
S7998

>  <Name> (225)
Entrectinib (RXDX-101)

>  <Synonyms> (225)
NMS-E628

>  <Target> (225)
ALK,Autophagy,ROS1,Trk receptor

>  <Form> (225)
free base

>  <CAS> (225)
1108743-60-7

>  <URL> (225)
http://selleckchem.com/products/entrectinib-rxdx-101.html

$$$$
FIIN-2.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (226)
2723

>  <Formula> (226)
C35H38N8O4

>  <MolWeight> (226)
634.72742

>  <Cat> (226)
S7714

>  <Name> (226)
FIIN-2

>  <Synonyms> (226)
N/A

>  <Target> (226)
FGFR

>  <Form> (226)
free base

>  <CAS> (226)
1633044-56-0

>  <URL> (226)
http://selleckchem.com/products/fiin-2.html

$$$$
AZD3759.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (227)
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>  <Formula> (227)
C22H23ClFN5O3

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>  <Cat> (227)
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>  <Name> (227)
Zorifertinib (AZD3759)

>  <Synonyms> (227)
N/A

>  <Target> (227)
EGFR

>  <Form> (227)
free base

>  <CAS> (227)
1626387-80-1

>  <URL> (227)
http://selleckchem.com/products/azd3759.html

$$$$
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M  END
>  <Mol_ID> (228)
2790

>  <Formula> (228)
C29H50O2

>  <MolWeight> (228)
430.7061

>  <Cat> (228)
S4686

>  <Name> (228)
Vitamin E

>  <Synonyms> (228)
Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (228)
COX,VEGFR

>  <Form> (228)
free base

>  <CAS> (228)
59-02-9

>  <URL> (228)
http://selleckchem.com/products/vitamin-e.html

$$$$
SIS3.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (229)
2799

>  <Formula> (229)
C28H28ClN3O3

>  <MolWeight> (229)
489.99322

>  <Cat> (229)
S7959

>  <Name> (229)
SIS3 HCl

>  <Synonyms> (229)
N/A

>  <Target> (229)
TGF-beta/Smad

>  <Form> (229)
hydrochloride

>  <CAS> (229)
521984-48-5

>  <URL> (229)
https://www.selleckchem.com/products/sis3-hcl.html

$$$$
LOXO-101.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (230)
2803

>  <Formula> (230)
C21H24F2N6O6S

>  <MolWeight> (230)
526.5136664

>  <Cat> (230)
S7960

>  <Name> (230)
Larotrectinib (LOXO-101) sulfate

>  <Synonyms> (230)
ARRY-470, Larotrectinib

>  <Target> (230)
Apoptosis related,Trk receptor

>  <Form> (230)
sulfate

>  <CAS> (230)
1223405-08-0

>  <URL> (230)
http://selleckchem.com/products/loxo-101.html

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/01162513232D

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>  <Target> (231)
Axl,c-Met,DDR,FLT3,Mertk,ROS1

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free base

>  <CAS> (231)
1206799-15-6

>  <URL> (231)
http://selleckchem.com/products/ly2801653-merestinib.html

$$$$
NSC12.cdx
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FGFR

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free base

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102586-30-1

>  <URL> (232)
http://selleckchem.com/products/nsc12.html

$$$$
Bioymifi.cdx
csChFnd80/01162513232D

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Bioymifi

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N/A

>  <Target> (233)
TNF-alpha

>  <Form> (233)
free base

>  <CAS> (233)
1420071-30-2

>  <URL> (233)
http://selleckchem.com/products/bioymifi.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/01162513232D

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>  <Formula> (234)
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>  <Name> (234)
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EGFR

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free base

>  <CAS> (234)
1508250-71-2

>  <URL> (234)
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$$$$
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M  END
>  <Mol_ID> (235)
2846

>  <Formula> (235)
C29H44N8O3

>  <MolWeight> (235)
552.71146

>  <Cat> (235)
S7754

>  <Name> (235)
Gilteritinib (ASP2215)

>  <Synonyms> (235)
N/A

>  <Target> (235)
Axl,FLT3

>  <Form> (235)
free base

>  <CAS> (235)
1254053-43-4

>  <URL> (235)
http://selleckchem.com/products/gilteritinib-asp2215.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (236)
2934

>  <Formula> (236)
C21H17ClF4N4O4

>  <MolWeight> (236)
500.8306928

>  <Cat> (236)
S5077

>  <Name> (236)
Regorafenib (BAY-734506) Monohydrate

>  <Synonyms> (236)
Fluoro-sorafenib, Resihance, Stivarga, regorafaenib monohydrate

>  <Target> (236)
c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (236)
monohydrate

>  <CAS> (236)
1019206-88-2

>  <URL> (236)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (237)
3090

>  <Formula> (237)
C33H39N5O7S

>  <MolWeight> (237)
649.75706

>  <Cat> (237)
S5234

>  <Name> (237)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (237)
Intedanib, BIBF 1120

>  <Target> (237)
FGFR,PDGFR,VEGFR

>  <Form> (237)
ethanesulfonate

>  <CAS> (237)
656247-18-6

>  <URL> (237)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/01162513232D

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 30 31  1  0  0  0  0
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 26 31  2  0  0  0  0
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M  END
>  <Mol_ID> (238)
3092

>  <Formula> (238)
C29H31FN4O7

>  <MolWeight> (238)
566.5774432

>  <Cat> (238)
S5242

>  <Name> (238)
Cediranib Maleate

>  <Synonyms> (238)
AZD-2171 maleate

>  <Target> (238)
VEGFR

>  <Form> (238)
maleate

>  <CAS> (238)
857036-77-2

>  <URL> (238)
http://selleckchem.com/products/cediranib-maleate.html

$$$$
S5459 Aucubin.cdx
csChFnd80/01162513232D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.0753    6.9721    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.9290    7.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8905    4.1838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6924    6.2807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (239)
3144

>  <Formula> (239)
C15H22O9

>  <MolWeight> (239)
346.32978

>  <Cat> (239)
S5459

>  <Name> (239)
Aucubin

>  <Synonyms> (239)
Rhinanthin

>  <Target> (239)
Immunology & Inflammation related

>  <Form> (239)
free base

>  <CAS> (239)
479-98-1

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

$$$$
S5579 Chelidonic acid.cdx
csChFnd80/01162513232D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  6  7  2  0  0  0  0
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  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1 10  2  0  0  0  0
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  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (240)
3192

>  <Formula> (240)
C7H4O6

>  <MolWeight> (240)
184.10306

>  <Cat> (240)
S5579

>  <Name> (240)
Chelidonic acid

>  <Synonyms> (240)
Jerva acid, Jervaic acid, ¦Ã-Pyrone-2,6-dicarboxylic acid

>  <Target> (240)
Caspase,Decarboxylase,Immunology & Inflammation related,Interleukins,NF-¦ÊB

>  <Form> (240)
free base

>  <CAS> (240)
99-32-1

>  <URL> (240)
http://selleckchem.com/products/chelidonic-acid.html

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/01162513232D

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    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  2  0  0  0  0
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M  END
>  <Mol_ID> (241)
3218

>  <Formula> (241)
C22H23ClN4O7S

>  <MolWeight> (241)
522.95862

>  <Cat> (241)
S5240

>  <Name> (241)
Lenvatinib (E7080) Mesylate

>  <Synonyms> (241)
E7080 mesylate

>  <Target> (241)
c-Kit,c-RET,FGFR,PDGFR,VEGFR

>  <Form> (241)
Mesylate

>  <CAS> (241)
857890-39-2

>  <URL> (241)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$

csChFnd80/01162513232D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
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M  END
>  <Mol_ID> (242)
3279

>  <Formula> (242)
C16H14O2

>  <MolWeight> (242)
238.28116

>  <Cat> (242)
S5851

>  <Name> (242)
4'-Methoxychalcone

>  <Synonyms> (242)
N/A

>  <Target> (242)
PPAR,TNF-alpha

>  <Form> (242)
Free Base

>  <CAS> (242)
959-23-9

>  <URL> (242)
http://www.selleckchem.com/products/4-methoxychalcone.html

$$$$

csChFnd80/01162513232D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8480    7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (243)
3299

>  <Formula> (243)
C21H16N2O2S

>  <MolWeight> (243)
360.42894

>  <Cat> (243)
S5913

>  <Name> (243)
Cambinol

>  <Synonyms> (243)
N/A

>  <Target> (243)
Phospholipase (e.g. PLA)

>  <Form> (243)
Free Base

>  <CAS> (243)
14513-15-6

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

$$$$
S5667 Fruquintinib.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (244)
3433

>  <Formula> (244)
C21H19N3O5

>  <MolWeight> (244)
393.39266

>  <Cat> (244)
S5667

>  <Name> (244)
Fruquintinib (HMPL-013)

>  <Target> (244)
VEGFR

>  <Form> (244)
Tyrosine kinase inhibitor

>  <CAS> (244)
1194506-26-7

>  <URL> (244)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/01162513232D

 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (245)
3464

>  <Formula> (245)
C29H37N7O5S

>  <MolWeight> (245)
595.71298

>  <Cat> (245)
S5078

>  <Name> (245)
Osimertinib mesylate

>  <Synonyms> (245)
AZD9291 mesylate

>  <Target> (245)
EGFR

>  <Form> (245)
mesylate

>  <CAS> (245)
1421373-66-1

>  <URL> (245)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/01162513232D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (246)
3482

>  <Formula> (246)
C16H21Cl2N3

>  <MolWeight> (246)
326.26404

>  <Cat> (246)
S5670

>  <Name> (246)
Chloropyramine hydrochloride

>  <Synonyms> (246)
Halopyramine hydrochloride

>  <Target> (246)
Histamine Receptor

>  <Form> (246)
hydrochloride

>  <CAS> (246)
6170-42-9

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

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (247)
3531

>  <Formula> (247)
C22H21N3O2

>  <MolWeight> (247)
359.42104

>  <Cat> (247)
S5764

>  <Name> (247)
YM 90709

>  <Synonyms> (247)
N/A

>  <Target> (247)
IL Receptor,Interleukins

>  <Form> (247)
Free Base

>  <CAS> (247)
163769-88-8

>  <URL> (247)
http://www.selleckchem.com/products/ym-90709.html

$$$$

csChFnd80/01162513232D

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    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  9  2  0  0  0  0
  4  3  1  0  0  0  0
  6  3  1  0  0  0  0
 14  4  1  0  0  0  0
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 13  5  1  0  0  0  0
  6 11  2  0  0  0  0
  8  6  1  0  0  0  0
 12  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 14  8  1  0  0  0  0
  9 12  1  0  0  0  0
 18 10  1  0  0  0  0
 11 17  1  0  0  0  0
 17 12  2  0  0  0  0
 13 23  2  0  0  0  0
 16 25  2  0  0  0  0
 24 16  1  0  0  0  0
 20 18  1  0  0  0  0
 28 19  2  0  0  0  0
 26 20  1  0  0  0  0
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M  END
>  <Mol_ID> (248)
3552

>  <Formula> (248)
C22H23N5O

>  <MolWeight> (248)
373.45092

>  <Cat> (248)
S5793

>  <Name> (248)
Motesanib (AMG-706)

>  <Synonyms> (248)
N/A

>  <Target> (248)
VEGFR

>  <Form> (248)
Free Base

>  <CAS> (248)
453562-69-1

>  <URL> (248)
http://www.selleckchem.com/products/motesanib-amg-706.html

$$$$

csChFnd80/01162513232D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 S   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
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  1  2  1  0  0  0  0
  1  3  3  0  0  0  0
  2  4  1  0  0  0  0
M  END
>  <Mol_ID> (249)
3763

>  <Formula> (249)
CNNaS

>  <MolWeight> (249)
81.07217

>  <Cat> (249)
S6281

>  <Name> (249)
Sodium Thiocyanate

>  <Synonyms> (249)
Sodium rhodanide, Sodium sulfocyanate, Sodium rhodanate

>  <Target> (249)
Interleukins,ROS

>  <Form> (249)
free base

>  <CAS> (249)
540-72-7

>  <URL> (249)
http://www.selleck.cn/products/sodium-thiocyanate.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (250)
3812

>  <Formula> (250)
C25H23FN8O2S2

>  <MolWeight> (250)
550.6309232

>  <Cat> (250)
S7564

>  <Name> (250)
SAR125844

>  <Synonyms> (250)
N/A

>  <Target> (250)
c-Met

>  <Form> (250)
free base

>  <CAS> (250)
1116743-46-4

>  <URL> (250)
http://www.selleck.cn/products/sar125844.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (251)
3819

>  <Formula> (251)
C26H31Cl2N7O3

>  <MolWeight> (251)
560.47544

>  <Cat> (251)
S2183

>  <Name> (251)
Infigratinib (BGJ398)

>  <Synonyms> (251)
NVP-BGJ398

>  <Target> (251)
FGFR

>  <Form> (251)
Free Base

>  <CAS> (251)
872511-34-7

>  <URL> (251)
http://www.selleck.cn/products/bgj398-nvp-bgj398.html

$$$$

csChFnd80/01162513232D

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    8.2166    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
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 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (252)
3843

>  <Formula> (252)
C14H12O5

>  <MolWeight> (252)
260.24208

>  <Cat> (252)
S5887

>  <Name> (252)
Khellin

>  <Synonyms> (252)
Amicardine, Corafurone, Methafrone, Kelourin, Rykellin, Visammin, Ammispasmin, Ammivisnagen, Gynokhellan, Interkellin, Interkhellin, Amikellin, Ammipuran, Benecardin, Deltoside, Kelicorin, Khelangin, Khellamine, Khellanals, Khellinorm, Medekellin

>  <Target> (252)
Anti-infection

>  <Form> (252)
Free Base

>  <CAS> (252)
82-02-0

>  <URL> (252)
http://www.selleck.cn/products/khellin.html

$$$$

csChFnd80/01162513232D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.8361    6.2779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    6.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    8.3698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    6.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    8.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318    6.2706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   11.1717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371   10.4741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2701    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.2895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  7  2  1  0  0  0  0
  3  4  2  0  0  0  0
  6  3  1  0  0  0  0
 12  4  1  0  0  0  0
  5  6  2  0  0  0  0
  9  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
  8  9  1  0  0  0  0
 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 23 10  2  0  0  0  0
 11 25  1  0  0  0  0
 11 24  1  0  0  0  0
 18 12  1  0  0  0  0
 16 13  1  0  0  0  0
 14 17  1  0  0  0  0
 28 14  2  0  0  0  0
 15 16  2  0  0  0  0
 19 15  1  0  0  0  0
 26 16  1  0  0  0  0
 17 18  1  0  0  0  0
 29 19  1  0  0  0  0
 19 27  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 22 26  2  0  0  0  0
 27 22  1  0  0  0  0
 23 30  1  0  0  0  0
 31 28  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (253)
3865

>  <Formula> (253)
C23H26N6O2

>  <MolWeight> (253)
418.49154

>  <Cat> (253)
S6414

>  <Name> (253)
Apilimod (STA-5326)

>  <Synonyms> (253)
STA-5326

>  <Target> (253)
Interleukins,PIKfyve

>  <Form> (253)
Free Base

>  <CAS> (253)
541550-19-0

>  <URL> (253)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/01162513232D

 37 41  0  0  0  0  0  0  0  0999 V2000
   21.4061    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5062    3.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8275    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.2276    4.2893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8489    4.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3702    2.7305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9490    5.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7365    4.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8487    6.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4699    6.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5241    5.1184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0996    2.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    3.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 11  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 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
 32 33  2  0  0  0  0
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 35 36  1  0  0  0  0
 36 34  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
>  <Mol_ID> (254)
3927

>  <Formula> (254)
C26H21F3N4O4

>  <MolWeight> (254)
510.4645496

>  <Cat> (254)
S6412

>  <Name> (254)
Altiratinib

>  <Synonyms> (254)
DCC-2701

>  <Target> (254)
c-Met,Tie-2,Trk receptor,VEGFR

>  <Form> (254)
free base

>  <CAS> (254)
1345847-93-9

>  <URL> (254)
http://www.selleck.cn/products/altiratinib.html

$$$$

csChFnd80/01162513232D

 37 40  0  0  0  0  0  0  0  0999 V2000
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   10.9116    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1240    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7612    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7612    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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  1  7  1  0  0  0  0
 10 11  1  0  0  0  0
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 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 16 18  1  0  0  0  0
 13 16  1  0  0  0  0
  9 10  1  0  0  0  0
 26 27  1  6  0  0  0
 25 26  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
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 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
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 29 36  1  0  0  0  0
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M  END
>  <Mol_ID> (255)
3941

>  <Formula> (255)
C25H25Cl2FN6O3

>  <MolWeight> (255)
547.4088032

>  <Cat> (255)
S6505

>  <Name> (255)
X-376

>  <Synonyms> (255)
N/A

>  <Target> (255)
ALK

>  <Form> (255)
free base

>  <CAS> (255)
1365267-27-1

>  <URL> (255)
http://www.selleck.cn/products/x-376.html

$$$$

csChFnd80/01162513232D

 16 16  0  0  0  0  0  0  0  0999 V2000
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ALK

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1356962-34-9

>  <URL> (257)
http://www.selleck.cn/products/hg-14-10-04.html

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>  <Formula> (258)
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>  <MolWeight> (258)
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c-RET,VEGFR

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free base

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>  <URL> (258)
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>  <Formula> (259)
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free base

>  <CAS> (259)
1952236-05-3

>  <URL> (259)
http://www.selleck.cn/products/mtx-211.html

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>  <CAS> (260)
413599-62-9

>  <URL> (260)
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>  <Mol_ID> (261)
3972

>  <Formula> (261)
C11H9Cl2N3O3S

>  <MolWeight> (261)
334.17846

>  <Cat> (261)
S6555

>  <Name> (261)
AZD2098

>  <Synonyms> (261)
N/A

>  <Target> (261)
CCR

>  <Form> (261)
free base

>  <CAS> (261)
566203-88-1

>  <URL> (261)
http://www.selleck.cn/products/azd2098.html

$$$$
P505-15.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (262)
4003

>  <Formula> (262)
C19H24ClN9O

>  <MolWeight> (262)
429.90656

>  <Cat> (262)
S8032

>  <Name> (262)
PRT062607 (P505-15) HCl

>  <Synonyms> (262)
BIIB057, PRT-2607

>  <Target> (262)
FAK,FLT3,Mixed Lineage Kinase,PAK,Pyk2,Src,Syk

>  <Form> (262)
Hydrochloride

>  <CAS> (262)
1370261-97-4

>  <URL> (262)
http://selleckchem.com/products/prt062607-p505-15-hcl.html

$$$$

csChFnd80/01162513232D

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>  <Mol_ID> (263)
4009

>  <Formula> (263)
C24H22F3N5O5

>  <MolWeight> (263)
517.4571896

>  <Cat> (263)
S8015

>  <Name> (263)
Agerafenib (RXDX-105)

>  <Synonyms> (263)
CEP-32496

>  <Target> (263)
c-Kit,c-RET,CSF-1R,PDGFR,Raf

>  <Form> (263)
free base

>  <CAS> (263)
1188910-76-0

>  <URL> (263)
http://selleckchem.com/products/cep-32496.html

$$$$
AG-1296.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (264)
4015

>  <Formula> (264)
C16H14N2O2

>  <MolWeight> (264)
266.29456

>  <Cat> (264)
S8024

>  <Name> (264)
Tyrphostin AG 1296

>  <Synonyms> (264)
AG 1296

>  <Target> (264)
Apoptosis related,c-Kit,FGFR,PDGFR

>  <Form> (264)
free base

>  <CAS> (264)
146535-11-7

>  <URL> (264)
http://selleckchem.com/products/tyrphostin-ag-1296-ag-1296.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (265)
4016

>  <Formula> (265)
C18H20N2O4S

>  <MolWeight> (265)
360.4274

>  <Cat> (265)
S8023

>  <Name> (265)
TCS 359

>  <Synonyms> (265)
N/A

>  <Target> (265)
FLT3

>  <Form> (265)
free base

>  <CAS> (265)
301305-73-7

>  <URL> (265)
http://selleckchem.com/products/tcs-359.html

$$$$
Necrostatin-1.cdx
csChFnd80/01162513232D

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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (266)
4019

>  <Formula> (266)
C13H13N3OS

>  <MolWeight> (266)
259.32682

>  <Cat> (266)
S8037

>  <Name> (266)
Necrostatin-1

>  <Synonyms> (266)
Nec-1

>  <Target> (266)
Apoptosis related,Autophagy,IDO/TDO,RIP kinase,TNF-alpha

>  <Form> (266)
free base

>  <CAS> (266)
4311-88-0

>  <URL> (266)
http://selleckchem.com/products/necrostatin-1.html

$$$$
GW2580.cdx
csChFnd80/01162513232D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (267)
4024

>  <Formula> (267)
C20H22N4O3

>  <MolWeight> (267)
366.41368

>  <Cat> (267)
S8042

>  <Name> (267)
GW2580

>  <Synonyms> (267)
SC-203877

>  <Target> (267)
CSF-1R

>  <Form> (267)
free base

>  <CAS> (267)
870483-87-7

>  <URL> (267)
http://selleckchem.com/products/gw2580.html

$$$$
Butein.cdx
csChFnd80/01162513232D

 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> (268)
4025

>  <Formula> (268)
C15H12O5

>  <MolWeight> (268)
272.25278

>  <Cat> (268)
S8036

>  <Name> (268)
Butein

>  <Synonyms> (268)
N/A

>  <Target> (268)
EGFR

>  <Form> (268)
free base

>  <CAS> (268)
487-52-5

>  <URL> (268)
http://selleckchem.com/products/butein.html

$$$$
Pacritinib (SB1518).cdx
csChFnd80/01162513232D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (269)
4066

>  <Formula> (269)
C28H32N4O3

>  <MolWeight> (269)
472.57868

>  <Cat> (269)
S8057

>  <Name> (269)
Pacritinib (SB1518)

>  <Synonyms> (269)
N/A

>  <Target> (269)
FLT3,JAK

>  <Form> (269)
free base

>  <CAS> (269)
937272-79-2

>  <URL> (269)
http://selleckchem.com/products/pacritinib-sb1518.html

$$$$
ASP3026   structure.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (270)
4067

>  <Formula> (270)
C29H40N8O3S

>  <MolWeight> (270)
580.7447

>  <Cat> (270)
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>  <Name> (270)
ASP3026

>  <Synonyms> (270)
N/A

>  <Target> (270)
ALK

>  <Form> (270)
free base

>  <CAS> (270)
1097917-15-1

>  <URL> (270)
http://selleckchem.com/products/asp3026.html

$$$$
Resiquimod.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (271)
4083

>  <Formula> (271)
C17H22N4O2

>  <MolWeight> (271)
314.38218

>  <Cat> (271)
S8133

>  <Name> (271)
Resiquimod (R-848)

>  <Synonyms> (271)
S28463

>  <Target> (271)
HCV,IFN,Interleukins,TLR,TNF-alpha

>  <Form> (271)
free base

>  <CAS> (271)
144875-48-9

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

$$$$
GSK481.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (272)
4131

>  <Formula> (272)
C21H19N3O4

>  <MolWeight> (272)
377.39326

>  <Cat> (272)
S8169

>  <Name> (272)
GSK481

>  <Synonyms> (272)
N/A

>  <Target> (272)
RIP kinase

>  <Form> (272)
free base

>  <CAS> (272)
1622849-58-4

>  <URL> (272)
http://selleckchem.com/products/gsk481.html

$$$$
AMG337.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (273)
4132

>  <Formula> (273)
C23H22FN7O3

>  <MolWeight> (273)
463.4642832

>  <Cat> (273)
S8167

>  <Name> (273)
AMG 337

>  <Synonyms> (273)
N/A

>  <Target> (273)
c-Met

>  <Form> (273)
free base

>  <CAS> (273)
1173699-31-4

>  <URL> (273)
http://selleckchem.com/products/amg-337.html

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (274)
4138

>  <Formula> (274)
C26H26N6O2S

>  <MolWeight> (274)
486.58864

>  <Cat> (274)
S8294

>  <Name> (274)
Olmutinib (BI 1482694)

>  <Synonyms> (274)
HM61713

>  <Target> (274)
BTK,EGFR

>  <Form> (274)
free base

>  <CAS> (274)
1353550-13-6

>  <URL> (274)
http://selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (275)
4145

>  <Formula> (275)
C15H10O4

>  <MolWeight> (275)
254.2375

>  <Cat> (275)
S8319

>  <Name> (275)
7,8-Dihydroxyflavone

>  <Synonyms> (275)
7,8-DHF

>  <Target> (275)
Trk receptor

>  <Form> (275)
free base

>  <CAS> (275)
38183-03-8

>  <URL> (275)
http://selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
EAI045.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (276)
4160

>  <Formula> (276)
C19H14FN3O3S

>  <MolWeight> (276)
383.3961632

>  <Cat> (276)
S8242

>  <Name> (276)
EAI045

>  <Synonyms> (276)
N/A

>  <Target> (276)
EGFR

>  <Form> (276)
free base

>  <CAS> (276)
1942114-09-1

>  <URL> (276)
http://selleckchem.com/products/eai045.html

$$$$
ATI-2341.cdx
csChFnd80/01162513232D

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ATI-2341

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CXCR

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free base

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1337878-62-2

>  <URL> (277)
http://selleckchem.com/products/ati-2341.html

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Shikonin.cdx
csChFnd80/01162513232D

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Anchusin, Anchusa acid, Alkanna Red, Isoarnebin 4, NSC 252844

>  <Target> (278)
Anti-infection,Chloride Channel,COVID-19,NF-¦ÊB,PKM,Proteasome,TNF-alpha

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free base

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54952-43-1

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http://selleckchem.com/products/shikonin.html

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EGFR

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>  <CAS> (279)
113104-25-9

>  <URL> (279)
http://selleckchem.com/products/nsc228155.html

$$$$
ZK756326.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (280)
4172

>  <Formula> (280)
C21H30Cl2N2O3

>  <MolWeight> (280)
429.3805

>  <Cat> (280)
S8324

>  <Name> (280)
ZK756326 2HCl

>  <Synonyms> (280)
N/A

>  <Target> (280)
CCR

>  <Form> (280)
Dihydrochloride

>  <CAS> (280)
874911-96-3

>  <URL> (280)
http://selleckchem.com/products/zk756326.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/01162513232D

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>  <Mol_ID> (281)
4174

>  <Formula> (281)
C22H15F3N4O2

>  <MolWeight> (281)
424.3753096

>  <Cat> (281)
S8189

>  <Name> (281)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (281)
N/A

>  <Target> (281)
c-RET,Raf,VEGFR

>  <Form> (281)
free base

>  <CAS> (281)
861875-60-7

>  <URL> (281)
http://selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Alantolactone.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (282)
4178

>  <Formula> (282)
C15H20O2

>  <MolWeight> (282)
232.3181

>  <Cat> (282)
S8318

>  <Name> (282)
Alantolactone

>  <Synonyms> (282)
helenin, helenine, Eupatal

>  <Target> (282)
TGF-beta/Smad

>  <Form> (282)
free base

>  <CAS> (282)
546-43-0

>  <URL> (282)
http://selleckchem.com/products/alantolactone.html

$$$$
AS101.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (283)
4181

>  <Formula> (283)
C2H8Cl3NO2Te

>  <MolWeight> (283)
312.04942

>  <Cat> (283)
S8301

>  <Name> (283)
Ossirene

>  <Synonyms> (283)
AS101

>  <Target> (283)
Immunology & Inflammation related,Interleukins

>  <Form> (283)
Coordination Co

>  <CAS> (283)
106566-58-9

>  <URL> (283)
http://selleckchem.com/products/as101.html

$$$$
BFH772.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (284)
4182

>  <Formula> (284)
C23H16F3N3O3

>  <MolWeight> (284)
439.3866496

>  <Cat> (284)
S8188

>  <Name> (284)
BFH772

>  <Synonyms> (284)
BFH 772, BFH-772

>  <Target> (284)
VEGFR

>  <Form> (284)
free base

>  <CAS> (284)
890128-81-1

>  <URL> (284)
http://selleckchem.com/products/bfh772.html

$$$$
NT157.cdx
csChFnd80/01162513232D

 24 25  0  0  0  0  0  0  0  0999 V2000
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N/A

>  <Target> (285)
IGF-1R

>  <Form> (285)
free base

>  <CAS> (285)
1384426-12-3

>  <URL> (285)
http://selleckchem.com/products/nt157.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/01162513232D

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>  <Formula> (286)
C26H24N8O2

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>  <Cat> (286)
S8362

>  <Name> (286)
Tucatinib

>  <Synonyms> (286)
Irbinitinib, ONT-380, ARRY-380

>  <Target> (286)
EGFR,HER2

>  <Form> (286)
free base

>  <CAS> (286)
937263-43-9

>  <URL> (286)
http://selleckchem.com/products/arry-380-ont-380.html

$$$$
JNJ-42756493 (Erdafitinib).cdx
csChFnd80/01162513232D

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C25H30N6O2

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S8401

>  <Name> (287)
Erdafitinib (JNJ-42756493)

>  <Synonyms> (287)
N/A

>  <Target> (287)
Apoptosis related,c-Kit,c-RET,CSF-1R,FGFR,PDGFR,VEGFR

>  <Form> (287)
free base

>  <CAS> (287)
1346242-81-6

>  <URL> (287)
http://selleckchem.com/products/jnj-42756493-erdafitinib.html

$$$$
S49076.cdx
csChFnd80/01162513232D

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C22H22N4O4S

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>  <Name> (288)
S49076

>  <Synonyms> (288)
N/A

>  <Target> (288)
Axl,c-Met,FGFR,Mertk

>  <Form> (288)
free base

>  <CAS> (288)
1265965-22-7

>  <URL> (288)
http://selleckchem.com/products/s49076.html

$$$$
GSK583.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (289)
4218

>  <Formula> (289)
C20H19FN4O2S

>  <MolWeight> (289)
398.4538632

>  <Cat> (289)
S8261

>  <Name> (289)
GSK583

>  <Synonyms> (289)
N/A

>  <Target> (289)
Interleukins,RIP kinase,TNF-alpha

>  <Form> (289)
free base

>  <CAS> (289)
1346547-00-9

>  <URL> (289)
http://selleckchem.com/products/gsk583.html

$$$$

csChFnd80/01162513232D

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>  <Mol_ID> (290)
4230

>  <Formula> (290)
C25H27N7O3S2

>  <MolWeight> (290)
537.65698

>  <Cat> (290)
S1099

>  <Name> (290)
SKLB4771 (FLT3-IN-1)

>  <Synonyms> (290)
N/A

>  <Target> (290)
FLT3

>  <Form> (290)
Free Base

>  <CAS> (290)
1370256-78-2

>  <URL> (290)
http://www.selleck.cn/products/sklb4771-flt3-in1.html

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (291)
4233

>  <Formula> (291)
C30H42N8O3

>  <MolWeight> (291)
562.70628

>  <Cat> (291)
S8412

>  <Name> (291)
Naquotinib(ASP8273)

>  <Synonyms> (291)
N/A

>  <Target> (291)
EGFR

>  <Form> (291)
free base

>  <CAS> (291)
1448232-80-1

>  <URL> (291)
http://selleckchem.com/products/naquotinib-asp8273.html

$$$$

csChFnd80/01162513232D

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>  <Name> (292)
Aurora Kinase Inhibitor III

>  <Synonyms> (292)
N/A

>  <Target> (292)
Aurora Kinase

>  <Form> (292)
Free Base

>  <CAS> (292)
879127-16-9

>  <URL> (292)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$
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SUN11602

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N/A

>  <Target> (293)
FGFR

>  <Form> (293)
free base

>  <CAS> (293)
704869-38-5

>  <URL> (293)
http://selleckchem.com/products/sun11602.html

$$$$
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>  <Name> (294)
PD-166866 (PD166866)

>  <Synonyms> (294)
N/A

>  <Target> (294)
FGFR

>  <Form> (294)
free base

>  <CAS> (294)
192705-79-6

>  <URL> (294)
http://selleckchem.com/products/pd-166866.html

$$$$
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>  <Name> (295)
Fisogatinib (BLU-554)

>  <Synonyms> (295)
N/A

>  <Target> (295)
FGFR

>  <Form> (295)
free base

>  <CAS> (295)
1707289-21-1

>  <URL> (295)
http://selleckchem.com/products/blu-554.html

$$$$
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>  <MolWeight> (296)
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AD80

>  <Synonyms> (296)
N/A

>  <Target> (296)
c-RET,S6 Kinase,Src

>  <Form> (296)
free base

>  <CAS> (296)
1384071-99-1

>  <URL> (296)
http://selleckchem.com/products/ad80.html

$$$$
RXDX-106 (CEP-40783).cdx
csChFnd80/01162513232D

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>  <Formula> (297)
C31H26F2N4O6

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>  <Cat> (297)
S8570

>  <Name> (297)
RXDX-106 (CEP-40783)

>  <Synonyms> (297)
N/A

>  <Target> (297)
Axl,c-Met,Mertk,Tyro3

>  <Form> (297)
free base

>  <CAS> (297)
1437321-24-8

>  <URL> (297)
http://selleckchem.com/products/rxdx-106-cep-40783.html

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/01162513232D

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>  <Mol_ID> (298)
4280

>  <Formula> (298)
C33H29F2N5O4S

>  <MolWeight> (298)
629.6762664

>  <Cat> (298)
S8573

>  <Name> (298)
Sitravatinib (MGCD516)

>  <Synonyms> (298)
MG-516

>  <Target> (298)
Axl,c-Kit,Ephrin receptor,Trk receptor,VEGFR

>  <Form> (298)
free base

>  <CAS> (298)
1123837-84-2

>  <URL> (298)
http://selleckchem.com/products/sitravatinib-mgcd516.html

$$$$
TPX-0005.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (299)
4284

>  <Formula> (299)
C18H18FN5O2

>  <MolWeight> (299)
355.3662232

>  <Cat> (299)
S8583

>  <Name> (299)
Repotrectinib (TPX-0005)

>  <Synonyms> (299)
N/A

>  <Target> (299)
ALK,ROS1,Src,Trk receptor

>  <Form> (299)
free base

>  <CAS> (299)
1802220-02-5

>  <URL> (299)
http://selleckchem.com/products/tpx-0005.html

$$$$
GSK2982772.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (300)
4285

>  <Formula> (300)
C20H19N5O3

>  <MolWeight> (300)
377.39656

>  <Cat> (300)
S8484

>  <Name> (300)
GSK2982772

>  <Synonyms> (300)
N/A

>  <Target> (300)
RIP kinase,TNF-alpha

>  <Form> (300)
free base

>  <CAS> (300)
1622848-92-3

>  <URL> (300)
http://selleckchem.com/products/gsk2982772.html

$$$$
PF-06273340.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (301)
4293

>  <Formula> (301)
C23H22ClN7O3

>  <MolWeight> (301)
479.91888

>  <Cat> (301)
S8407

>  <Name> (301)
PF-06273340

>  <Synonyms> (301)
N/A

>  <Target> (301)
Trk receptor

>  <Form> (301)
free base

>  <CAS> (301)
1402438-74-7

>  <URL> (301)
http://selleckchem.com/products/pf-06273340.html

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/01162513232D

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>  <Mol_ID> (302)
4300

>  <Formula> (302)
C33H44FN5O3

>  <MolWeight> (302)
577.7325632

>  <Cat> (302)
S8511

>  <Name> (302)
Belizatinib (TSR-011)

>  <Synonyms> (302)
N/A

>  <Target> (302)
ALK,Trk receptor

>  <Form> (302)
free base

>  <CAS> (302)
1357920-84-3

>  <URL> (302)
http://selleckchem.com/products/tsr-011-belizatinib.html

$$$$
PRN1371.cdx
csChFnd80/01162513232D

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>  <Synonyms> (303)
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>  <Target> (303)
CSF-1R,FGFR

>  <Form> (303)
free base

>  <CAS> (303)
1802929-43-6

>  <URL> (303)
http://selleckchem.com/products/prn1371.html

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/01162513232D

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>  <Formula> (304)
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>  <MolWeight> (304)
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Reparixin (Repertaxin)

>  <Synonyms> (304)
DF 1681Y

>  <Target> (304)
CXCR

>  <Form> (304)
free base

>  <CAS> (304)
266359-83-5

>  <URL> (304)
http://selleckchem.com/products/reparixin-repertaxin.html

$$$$
H3B-6527.cdx
csChFnd80/01162513232D

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4339

>  <Formula> (305)
C29H34Cl2N8O4

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>  <Cat> (305)
S8675

>  <Name> (305)
H3B-6527

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N/A

>  <Target> (305)
FGFR

>  <Form> (305)
free base

>  <CAS> (305)
1702259-66-2

>  <URL> (305)
http://selleckchem.com/products/h3b-6527.html

$$$$
Takinib.cdx
csChFnd80/01162513232D

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4340

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C18H18N4O2

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>  <Name> (306)
Takinib (EDHS-206)

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EDHS-206

>  <Target> (306)
Apoptosis related,IRAK,TAK1

>  <Form> (306)
free base

>  <CAS> (306)
1111556-37-6

>  <URL> (306)
http://selleckchem.com/products/takinib.html

$$$$
2-D08.cdx
csChFnd80/01162513232D

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2-D08

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2',3',4'-trihydroxy flavone

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SUMO

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free base

>  <CAS> (307)
144707-18-6

>  <URL> (307)
http://selleckchem.com/products/2-d08.html

$$$$
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M  END
>  <Mol_ID> (308)
4356

>  <Formula> (308)
C18H15ClN6OS2

>  <MolWeight> (308)
430.9343

>  <Cat> (308)
S8699

>  <Name> (308)
SNS-314 Mesylate

>  <Synonyms> (308)
N/A

>  <Target> (308)
Aurora Kinase

>  <Form> (308)
Mesylate

>  <CAS> (308)
1146618-41-8

>  <URL> (308)
http://selleckchem.com/products/sns-314.html

$$$$
BMS-935177.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (309)
4357

>  <Formula> (309)
C31H26N4O3

>  <MolWeight> (309)
502.56314

>  <Cat> (309)
S8348

>  <Name> (309)
BMS-935177

>  <Synonyms> (309)
N/A

>  <Target> (309)
BTK,Trk receptor

>  <Form> (309)
free base

>  <CAS> (309)
1231889-53-4

>  <URL> (309)
http://selleckchem.com/products/bms-935177.html

$$$$
ML221.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (310)
4365

>  <Formula> (310)
C17H11N3O6S

>  <MolWeight> (310)
385.35074

>  <Cat> (310)
S8695

>  <Name> (310)
ML221

>  <Synonyms> (310)
N/A

>  <Target> (310)
Angiotensin Receptor

>  <Form> (310)
salt

>  <CAS> (310)
877636-42-5

>  <URL> (310)
http://selleckchem.com/products/ml221.html

$$$$
GSK'963.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (311)
4369

>  <Formula> (311)
C14H18N2O

>  <MolWeight> (311)
230.30552

>  <Cat> (311)
S8642

>  <Name> (311)
GSK'963

>  <Synonyms> (311)
N/A

>  <Target> (311)
RIP kinase

>  <Form> (311)
free base

>  <CAS> (311)
2049868-46-2

>  <URL> (311)
http://selleckchem.com/products/gsk963.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (312)
4371

>  <Formula> (312)
C23H24Cl2FN3O3

>  <MolWeight> (312)
480.3593632

>  <Cat> (312)
S8726

>  <Name> (312)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (312)
N/A

>  <Target> (312)
VEGFR

>  <Form> (312)
dihydrochloride

>  <CAS> (312)
1360460-82-7

>  <URL> (312)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
DCC-2618.cdx
csChFnd80/01162513232D

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 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (313)
4372

>  <Formula> (313)
C26H21F2N5O3

>  <MolWeight> (313)
489.4734464

>  <Cat> (313)
S8721

>  <Name> (313)
PDGFR inhibitor 1

>  <Synonyms> (313)
N/A

>  <Target> (313)
c-Kit,CSF-1R,PDGFR,VEGFR

>  <Form> (313)
free base/salt 

>  <CAS> (313)
1225278-16-9

>  <URL> (313)
https://www.selleckchem.com/products/pdgfr-inhibitor-1.html

$$$$
Apremilast (CC-10004).cdx
csChFnd80/01162513232D

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.2040    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9604    3.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (314)
4379

>  <Formula> (314)
C22H24N2O7S

>  <MolWeight> (314)
460.50016

>  <Cat> (314)
S8034

>  <Name> (314)
Apremilast (CC-10004)

>  <Synonyms> (314)
CC-10004

>  <Target> (314)
PDE,TNF-alpha

>  <Form> (314)
free base

>  <CAS> (314)
608141-41-9

>  <URL> (314)
http://selleckchem.com/products/apremilast-cc-10004.html

$$$$
S9350 Ethyl 4-Methoxycinnamate.cdx
csChFnd80/01162513232D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (315)
4388

>  <Formula> (315)
C12H14O3

>  <MolWeight> (315)
206.23776

>  <Cat> (315)
S9350

>  <Name> (315)
Ethyl 4-Methoxycinnamate

>  <Synonyms> (315)
Ethyl p-methoxycinnamate, 4-Methoxycinnamic Acid Ethyl Ester, Ethyl methoxycinnamate, Ethyl para-methoxycinnamate

>  <Target> (315)
Fungal

>  <Form> (315)
free base

>  <CAS> (315)
24393-56-4

>  <URL> (315)
https://www.selleckchem.com/products/ethyl-4-methoxycinnamate.html

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/01162513232D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   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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  3  7  2  0  0  0  0
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  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (316)
4397

>  <Formula> (316)
C8H8O3

>  <MolWeight> (316)
152.14732

>  <Cat> (316)
S9374

>  <Name> (316)
2',5'-Dihydroxyacetophenone

>  <Synonyms> (316)
DHAP, 2-Acetylhydroquinone, Quinacetophenone

>  <Target> (316)
ERK,Interleukins,NF-¦ÊB,NOS,TNF-alpha

>  <Form> (316)
free base

>  <CAS> (316)
490-78-8

>  <URL> (316)
https://www.selleckchem.com/products/2-5-dihydroxyacetophenone.html

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/01162513232D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4329    2.0759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6508    2.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.2146    4.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (317)
4399

>  <Formula> (317)
C15H24N2O2

>  <MolWeight> (317)
264.36326

>  <Cat> (317)
S9384

>  <Name> (317)
Sophocarpine Monohydrate

>  <Target> (317)
Immunology & Inflammation related

>  <Form> (317)
free base

>  <CAS> (317)
145572-44-7

>  <URL> (317)
https://www.selleckchem.com/products/sophocarpine-monohydrate.html

$$$$
S9407 Angoroside C.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (318)
4414

>  <Formula> (318)
C36H48O19

>  <MolWeight> (318)
784.75492

>  <Cat> (318)
S9407

>  <Name> (318)
Angoroside C

>  <Target> (318)
Immunology & Inflammation related

>  <Form> (318)
free base

>  <CAS> (318)
115909-22-3

>  <URL> (318)
https://www.selleckchem.com/products/angoroside-c.html

$$$$
S9414 Cyasterone.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (319)
4421

>  <Formula> (319)
C29H44O8

>  <MolWeight> (319)
520.65486

>  <Cat> (319)
S9414

>  <Name> (319)
Cyasterone

>  <Target> (319)
EGFR

>  <Form> (319)
free base

>  <CAS> (319)
17086-76-9

>  <URL> (319)
https://www.selleckchem.com/products/cyasterone.html

$$$$
S9417 Homoplantaginin.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (320)
4423

>  <Formula> (320)
C22H22O11

>  <MolWeight> (320)
462.40348

>  <Cat> (320)
S9417

>  <Name> (320)
Homoplantaginin

>  <Synonyms> (320)
Hispidulin-7-glucoside

>  <Target> (320)
Immunology & Inflammation related,Interleukins,I¦ÊB/IKK,NF-¦ÊB,TNF-alpha

>  <Form> (320)
free base

>  <CAS> (320)
17680-84-1

>  <URL> (320)
https://www.selleckchem.com/products/homoplantaginin.html

$$$$
S9428 Brazilin.cdx
csChFnd80/01162513232D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.9739    2.5449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6386    2.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7896    1.4071    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5493    3.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    0.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9733    0.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1876    1.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4964    0.1992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9303    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7264    4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    0.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    2.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7703    2.8317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5144    5.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2973    6.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6883    6.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0050    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2580    7.6525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0388    3.5868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  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
  3  9  1  1  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  2  0  0  0  0
  5  7  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
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 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  1  0  0  0
M  END
>  <Mol_ID> (321)
4432

>  <Formula> (321)
C16H14O5

>  <MolWeight> (321)
286.27936

>  <Cat> (321)
S9428

>  <Name> (321)
Brazilin

>  <Synonyms> (321)
Natural Red 24

>  <Target> (321)
Beta Amyloid

>  <Form> (321)
free base

>  <CAS> (321)
474-07-7

>  <URL> (321)
https://www.selleckchem.com/products/brazilin.html

$$$$
S9437 Echinatin.cdx
csChFnd80/01162513232D

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 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
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (322)
4439

>  <Formula> (322)
C16H14O4

>  <MolWeight> (322)
270.27996

>  <Cat> (322)
S9437

>  <Name> (322)
Echinatin

>  <Target> (322)
Immunology & Inflammation related

>  <Form> (322)
free base

>  <CAS> (322)
34221-41-5

>  <URL> (322)
https://www.selleckchem.com/products/echinatin.html

$$$$

csChFnd80/01162513232D

 35 39  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   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
   12.1244    2.1000    0.0000 N   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
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  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  1  0  0  0  0
  4 10  1  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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 13 17  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
 20 14  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 18  1  0  0  0  0
 19 25  1  1  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
 30 31  1  0  0  0  0
  9 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (323)
4457

>  <Formula> (323)
C29H29FN4O

>  <MolWeight> (323)
468.5651632

>  <Cat> (323)
S8609

>  <Name> (323)
Derazantinib(ARQ-087)

>  <Synonyms> (323)
N/A

>  <Target> (323)
FGFR

>  <Form> (323)
Free Base

>  <CAS> (323)
1234356-69-4

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

$$$$

csChFnd80/01162513232D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    5.5552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5988    4.6184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8112    5.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5201    6.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1278    6.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4278    8.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0902    4.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4569    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (324)
4458

>  <Formula> (324)
C13H12ClN3O2

>  <MolWeight> (324)
277.70628

>  <Cat> (324)
S8641

>  <Name> (324)
Necrostatin 2 racemate (Nec-1s)

>  <Synonyms> (324)
7-Cl-O-Nec1, Necrostatin-1 stable, Necrostatin 1S

>  <Target> (324)
RIP kinase

>  <Form> (324)
racemate

>  <CAS> (324)
852391-15-2

>  <URL> (324)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/01162513232D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.7374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1374    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7374    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3048    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5700    0.8229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2297    5.9380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5208    7.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3084    8.0074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2680    7.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    7.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    8.6407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    8.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    7.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8581    6.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9018    2.7765    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 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 10  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (325)
4462

>  <Formula> (325)
C14H11ClN4S2

>  <MolWeight> (325)
334.84694

>  <Cat> (325)
S8700

>  <Name> (325)
TP0427736 HCl

>  <Synonyms> (325)
N/A

>  <Target> (325)
TGF-beta/Smad

>  <Form> (325)
hydrochloride

>  <CAS> (325)
864374-00-5

>  <URL> (325)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/01162513232D

 36 40  0  0  0  0  0  0  0  0999 V2000
    3.6373   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 N   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
    8.4870   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185   10.0674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185   12.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    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
    3.6373    6.3000    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
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    2.4249    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 18  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 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 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (326)
4469

>  <Formula> (326)
C26H26FN7O2

>  <MolWeight> (326)
487.5287432

>  <Cat> (326)
S8741

>  <Name> (326)
Avitinib (AC0010)

>  <Synonyms> (326)
Abivertinib

>  <Target> (326)
BTK,EGFR

>  <Form> (326)
Free Base

>  <CAS> (326)
1557267-42-1

>  <URL> (326)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/01162513232D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    5.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 11 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 11  1  0  0  0  0
 27 28  1  0  0  0  0
 27 20  1  0  0  0  0
 27 29  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (327)
4475

>  <Formula> (327)
C19H15N3O6S

>  <MolWeight> (327)
413.4039

>  <Cat> (327)
S8754

>  <Name> (327)
Alofanib (RPT835)

>  <Synonyms> (327)
N/A

>  <Target> (327)
FGFR

>  <Form> (327)
Free Base

>  <CAS> (327)
1612888-66-0

>  <URL> (327)
http://www.selleckchem.com/products/alofanib-rpt835.html

$$$$

csChFnd80/01162513232D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 13 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  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
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 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (328)
4477

>  <Formula> (328)
C24H21BrFN5O2

>  <MolWeight> (328)
510.3582432

>  <Cat> (328)
S8757

>  <Name> (328)
Ripretinib (DCC-2618)

>  <Synonyms> (328)
N/A

>  <Target> (328)
c-Kit,PDGFR

>  <Form> (328)
Free Base

>  <CAS> (328)
1442472-39-0

>  <URL> (328)
http://www.selleckchem.com/products/ripretinib-dcc-2618.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/01162513232D

 46 50  0  0  0  0  0  0  0  0999 V2000
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 10 19  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 24  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  2  0  0  0  0
  5 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 23 30  1  0  0  0  0
 30 27  1  0  0  0  0
 23 31  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 44  1  0  0  0  0
 22 35  1  1  0  0  0
 26 35  1  6  0  0  0
 12 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  5 23  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
M  END
>  <Mol_ID> (329)
4493

>  <Formula> (329)
C38H46O8

>  <MolWeight> (329)
630.76704

>  <Cat> (329)
S9031

>  <Name> (329)
Gambogenic acid

>  <Target> (329)
EZH1/2,FGFR

>  <Form> (329)
free base

>  <CAS> (329)
173932-75-7

>  <URL> (329)
https://www.selleckchem.com/products/gambogenic-acid.html

$$$$
S9052 Auraptene.cdx
csChFnd80/01162513232D

 22 23  0  0  0  0  0  0  0  0999 V2000
   13.3382    2.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3382    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1251    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5513    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1251    0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5513    0.0015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7644    2.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7643    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9767    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  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
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (330)
4503

>  <Formula> (330)
C19H22O3

>  <MolWeight> (330)
298.37618

>  <Cat> (330)
S9052

>  <Name> (330)
Auraptene

>  <Synonyms> (330)
7-geranyloxycoumarin

>  <Target> (330)
Immunology & Inflammation related,Interleukins,MMP

>  <Form> (330)
free base

>  <CAS> (330)
495-02-3

>  <URL> (330)
https://www.selleckchem.com/products/auraptene.html

$$$$
S9053 Irisflorentin.cdx
csChFnd80/01162513232D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.5671    4.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3479    4.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5671    6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7554    4.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440    4.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3479    2.8107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3479    7.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7760    7.0163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9954    4.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7554    2.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440    6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8112    4.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9954    6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1836    4.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8112    6.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4029    4.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1836    2.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6016    4.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3926    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6016    2.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8002    4.8825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3926    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8002    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0195    4.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8002    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 22  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (331)
4504

>  <Formula> (331)
C20H18O8

>  <MolWeight> (331)
386.35212

>  <Cat> (331)
S9053

>  <Name> (331)
Irisflorentin

>  <Synonyms> (331)
FI73921

>  <Target> (331)
Immunology & Inflammation related

>  <Form> (331)
free base

>  <CAS> (331)
41743-73-1

>  <URL> (331)
https://www.selleckchem.com/products/irisflorentin.html

$$$$
S9075 Mulberroside A.cdx
csChFnd80/01162513232D

 40 43  0  0  0  0  0  0  0  0999 V2000
    6.0621    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9743    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1868    5.5998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3992    6.2998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3992    7.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6117    5.5998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.8242    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6117    4.1998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.8242    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3992    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1868    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3992    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6117    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 12  1  0  0  0  0
  2 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 27  2  0  0  0  0
 23 28  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  1  0  0  0
 39 40  1  0  0  0  0
 30 38  1  0  0  0  0
 30 29  1  1  0  0  0
 25 29  1  0  0  0  0
 21 22  1  0  0  0  0
 15 20  1  0  0  0  0
  1 13  1  0  0  0  0
M  END
>  <Mol_ID> (332)
4522

>  <Formula> (332)
C26H32O14

>  <MolWeight> (332)
568.52388

>  <Cat> (332)
S9075

>  <Name> (332)
Mulberroside A

>  <Synonyms> (332)
FM74212

>  <Target> (332)
Caspase,ERK,Interleukins,JNK,NF-¦ÊB,p38 MAPK,TNF-alpha

>  <Form> (332)
free base

>  <CAS> (332)
102841-42-9

>  <URL> (332)
https://www.selleckchem.com/products/mulberroside-a.html

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/01162513232D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    5.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 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
 17 20  1  0  0  0  0
  1 22  1  0  0  0  0
  6 23  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (333)
4526

>  <Formula> (333)
C21H20O6

>  <MolWeight> (333)
368.3799

>  <Cat> (333)
S9080

>  <Name> (333)
Anhydroicaritin

>  <Synonyms> (333)
Cycloicaritin

>  <Target> (333)
Others

>  <Form> (333)
free base

>  <CAS> (333)
118525-40-9

>  <URL> (333)
https://www.selleckchem.com/products/anhydroicaritin.html

$$$$
S9090 Corilagin.cdx
csChFnd80/01162513232D

 45 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (334)
4535

>  <Formula> (334)
C27H22O18

>  <MolWeight> (334)
634.45278

>  <Cat> (334)
S9090

>  <Name> (334)
Corilagin

>  <Target> (334)
Immunology & Inflammation related,TNF-alpha

>  <Form> (334)
free base

>  <CAS> (334)
23094-69-1

>  <URL> (334)
https://www.selleckchem.com/products/corilagin.html

$$$$
S9092 Norisoboldine.cdx
csChFnd80/01162513232D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 12  4  1  0  0  0  0
 14  5  1  0  0  0  0
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 10  5  1  0  0  0  0
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 16  6  1  0  0  0  0
 21  7  1  0  0  0  0
 11  7  1  0  0  0  0
 13  8  2  0  0  0  0
 11  9  2  0  0  0  0
 17  9  1  0  0  0  0
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M  END
>  <Mol_ID> (335)
4537

>  <Formula> (335)
C18H19NO4

>  <MolWeight> (335)
313.34776

>  <Cat> (335)
S9092

>  <Name> (335)
Norisoboldine

>  <Synonyms> (335)
Laurelliptine

>  <Target> (335)
AhR

>  <Form> (335)
free base

>  <CAS> (335)
23599-69-1

>  <URL> (335)
https://www.selleckchem.com/products/norisoboldine.html

$$$$
S9106 Eleutheroside E.cdx
csChFnd80/01162513232D

 54 59  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (336)
4548

>  <Formula> (336)
C34H46O18

>  <MolWeight> (336)
742.71824

>  <Cat> (336)
S9106

>  <Name> (336)
Eleutheroside E

>  <Target> (336)
Immunology & Inflammation related,NF-¦ÊB

>  <Form> (336)
free base

>  <CAS> (336)
39432-56-9

>  <URL> (336)
https://www.selleckchem.com/products/eleutheroside-e.html

$$$$
S9129 20(S)-Ginsenoside Rh1.cdx
csChFnd80/01162513232D

 49 53  0  0  0  0  0  0  0  0999 V2000
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    8.6339    8.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2977    7.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8676    6.2174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6351    6.9168    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4096    9.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6351    9.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723   11.1472    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6550   10.8981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4510    9.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8676    4.8257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4096    6.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1842    8.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723   12.5182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0217   12.2343    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9546    4.2372    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1842    6.9168    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5096    4.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2475    4.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3443   12.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4432   12.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6894   13.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9546    2.8041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2217    4.9089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    6.2383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3118   11.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1385    2.0495    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4610    4.1888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2217    6.2383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6468   11.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4471    2.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1385    0.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5065    4.9437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6964   10.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6102    2.1255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3639    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9960   11.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4325    9.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723    9.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    7.7892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2977   11.8672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629    5.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6550    9.5340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 45  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 46  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  6  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  1  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 14  1  0  0  0  0
  7 47  1  1  0  0  0
  8 16  1  0  0  0  0
 10 17  1  6  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
 11 48  1  6  0  0  0
 12 19  1  0  0  0  0
 14 20  1  1  0  0  0
 15 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 49  1  6  0  0  0
 22 17  1  1  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 23  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  1  0  0  0
 22 29  1  0  0  0  0
 22 30  1  0  0  0  0
 23 31  1  1  0  0  0
 26 32  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 30 35  1  6  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 33 38  1  1  0  0  0
 34 39  1  1  0  0  0
 34 37  1  0  0  0  0
 36 40  2  0  0  0  0
 37 41  1  6  0  0  0
 38 42  1  0  0  0  0
 40 43  1  0  0  0  0
 40 44  1  0  0  0  0
M  END
>  <Mol_ID> (337)
4567

>  <Formula> (337)
C36H62O9

>  <MolWeight> (337)
638.87208

>  <Cat> (337)
S9129

>  <Name> (337)
20(S)-Ginsenoside Rh1

>  <Synonyms> (337)
Prosapogenin A2, Sanchinoside B2, Sanchinoside Rh1

>  <Target> (337)
Immunology & Inflammation related,Interleukins,PPAR,TNF-alpha

>  <Form> (337)
free base

>  <CAS> (337)
63223-86-9

>  <URL> (337)
https://www.selleckchem.com/products/20-s-ginsenoside-rh1.html

$$$$
S9136 Neochlorogenic acid.cdx
csChFnd80/01162513232D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2119    5.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4202    3.4991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6279    4.1913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6284    5.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209    6.3081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5172    7.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3251    7.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7028    7.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8515    8.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202    2.0991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8404    3.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0521    4.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2649    3.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0521    5.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4771    4.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6896    3.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8972    4.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1052    3.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1115    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8992    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6797    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8992    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3239    1.4037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  6  0  0  0
  3  4  1  0  0  0  0
  3 11  1  1  0  0  0
  4 13  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 13 14  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
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (338)
4573

>  <Formula> (338)
C16H18O9

>  <MolWeight> (338)
354.30872

>  <Cat> (338)
S9136

>  <Name> (338)
Neochlorogenic acid

>  <Synonyms> (338)
Neochlorogenate, 5-O-Caffeoylquinic acid

>  <Target> (338)
Antiviral,Bacterial,Immunology & Inflammation related

>  <Form> (338)
free base

>  <CAS> (338)
906-33-2

>  <URL> (338)
https://www.selleckchem.com/products/neochlorogenic-acid.html

$$$$
S9184 Forsythoside B.cdx
csChFnd80/01162513232D

 53 57  0  0  0  0  0  0  0  0999 V2000
    9.6983    7.7016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6983    6.3013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9107    5.6012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1229    6.3013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1229    7.7016    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9107    8.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3352    8.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5476    7.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7597    8.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9721    7.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9721    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1908    5.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4032    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4032    7.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1908    8.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6155    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6155    8.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107    4.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    8.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3352    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6983    3.5007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4860    4.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2738    3.5007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2738    2.1004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4860    1.4003    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6983    2.1004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2738    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    5.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8491    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    5.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    9.8021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2738    7.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    5.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107    1.4003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    1.4003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6983   10.5022    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9754    9.9319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9155   10.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153   12.1814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8474   11.8962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5702   12.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153   13.5817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8102   12.8297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7825   11.8442    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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
  5  7  1  1  0  0  0
  3 18  1  1  0  0  0
  1 19  1  1  0  0  0
  4 20  1  6  0  0  0
  2 21  1  6  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
 28 21  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 19 32  1  0  0  0  0
 28 33  2  0  0  0  0
 31 34  2  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 31  1  0  0  0  0
 36 39  1  0  0  0  0
 35 40  1  0  0  0  0
 22 18  1  1  0  0  0
 27 42  1  6  0  0  0
 25 43  1  1  0  0  0
 26 41  1  6  0  0  0
 24 44  1  6  0  0  0
 45 32  1  1  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 45  1  0  0  0  0
 48 50  1  1  0  0  0
 48 51  1  6  0  0  0
 49 52  1  6  0  0  0
 50 53  1  0  0  0  0
M  END
>  <Mol_ID> (339)
4610

>  <Formula> (339)
C34H44O19

>  <MolWeight> (339)
756.70176

>  <Cat> (339)
S9184

>  <Name> (339)
Forsythoside B

>  <Target> (339)
Immunology & Inflammation related,Interleukins,I¦ÊB/IKK,NF-¦ÊB,TNF-alpha

>  <Form> (339)
free base

>  <CAS> (339)
81525-13-5

>  <URL> (339)
https://www.selleckchem.com/products/forsythoside-b.html

$$$$
S9185 Nitidine Chloride.cdx
csChFnd80/01162513232D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.0570    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8340    2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2956    2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0570    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8340    4.2102    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.2956    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4927    2.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8340    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984    2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7209    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9440    2.1182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9440    4.8452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9440    0.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273    0.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1149    4.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
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  7 12  1  0  0  0  0
  8 15  2  0  0  0  0
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 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 14 18  2  0  0  0  0
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 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (340)
4611

>  <Formula> (340)
C21H18ClNO4

>  <MolWeight> (340)
383.82492

>  <Cat> (340)
S9185

>  <Name> (340)
Nitidine Chloride

>  <Target> (340)
Anti-infection

>  <Form> (340)
free base

>  <CAS> (340)
13063-04-2

>  <URL> (340)
https://www.selleckchem.com/products/nitidine-chloride.html

$$$$
S9194 Toddalolactone.cdx
csChFnd80/01162513232D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.0668    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8490    4.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567    2.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6412    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4241    4.8939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    2.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    2.0939    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  2  1  0  0  0  0
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  3  6  1  0  0  0  0
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  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (341)
4617

>  <Formula> (341)
C16H20O6

>  <MolWeight> (341)
308.3264

>  <Cat> (341)
S9194

>  <Name> (341)
Toddalolactone

>  <Target> (341)
PAI-1

>  <Form> (341)
Toddalolactone

>  <CAS> (341)
483-90-9

>  <URL> (341)
https://www.selleckchem.com/products/toddalolactone.html

$$$$

csChFnd80/01162513232D

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.0018    8.6912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7019    7.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6638    6.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0942    7.3325    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
  6  8  1  0  0  0  0
  4  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
  2 10  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
 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
 21 26  1  0  0  0  0
 18 23  1  0  0  0  0
 27 28  1  0  0  0  0
 16 27  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (342)
4635

>  <Formula> (342)
C20H20N4O3S

>  <MolWeight> (342)
396.4628

>  <Cat> (342)
S2039

>  <Name> (342)
IRAK inhibitor 6

>  <Synonyms> (342)
N/A

>  <Target> (342)
IRAK

>  <Form> (342)
Free Base

>  <CAS> (342)
1042672-97-8

>  <URL> (342)
http://www.selleck.cn/products/irak-inhibitor-6.html

$$$$
S9236 ¦Á-Cyperone.cdx
csChFnd80/01162513232D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6569    2.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4396    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6569    3.4920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8731    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0898    2.1060    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3023    1.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4406    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8731    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    3.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0895    3.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3023    0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4396    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6569    4.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
 14  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
  3 15  1  1  0  0  0
  6  4  1  0  0  0  0
 11  5  2  0  0  0  0
 10  5  1  0  0  0  0
  6  7  1  1  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 16  7  1  0  0  0  0
 10  8  1  0  0  0  0
 12  9  1  0  0  0  0
M  END
>  <Mol_ID> (343)
4645

>  <Formula> (343)
C15H22O

>  <MolWeight> (343)
218.33458

>  <Cat> (343)
S9236

>  <Name> (343)
¦Á-Cyperone

>  <Target> (343)
COX,Interleukins

>  <Form> (343)
free base

>  <CAS> (343)
473-08-5

>  <URL> (343)
https://www.selleckchem.com/products/alpha-cyperone.html

$$$$
S9240 Isofraxidin.cdx
csChFnd80/01162513232D

 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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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    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
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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  5 10  2  0  0  0  0
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  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
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 10 15  1  0  0  0  0
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M  END
>  <Mol_ID> (344)
4648

>  <Formula> (344)
C11H10O5

>  <MolWeight> (344)
222.1941

>  <Cat> (344)
S9240

>  <Name> (344)
Isofraxidin

>  <Synonyms> (344)
6,8-Dimethoxyumbelliferone

>  <Target> (344)
Immunology & Inflammation related

>  <Form> (344)
free base

>  <CAS> (344)
486-21-5

>  <URL> (344)
https://www.selleckchem.com/products/isofraxidin.html

$$$$
S9275 Isoguanosine.cdx
csChFnd80/01162513232D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6385    5.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9701    5.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385    7.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.9603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4023    3.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7930    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9710    7.4936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    7.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757    2.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7082    3.4744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2112    7.0626    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
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  2  0  0  0  0
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 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  6  0  0  0
 15 18  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  6  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (345)
4671

>  <Formula> (345)
C10H13N5O5

>  <MolWeight> (345)
283.24072

>  <Cat> (345)
S9275

>  <Name> (345)
Isoguanosine

>  <Synonyms> (345)
Crotonoside

>  <Target> (345)
FLT3,HDAC

>  <Form> (345)
free base

>  <CAS> (345)
1818-71-9

>  <URL> (345)
https://www.selleckchem.com/products/isoguanosine.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (346)
4672

>  <Formula> (346)
C19H21N3O2S

>  <MolWeight> (346)
355.45394

>  <Cat> (346)
S2070

>  <Name> (346)
ISCK03

>  <Synonyms> (346)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (346)
c-Kit

>  <Form> (346)
Free Base

>  <CAS> (346)
945526-43-2

>  <URL> (346)
http://www.selleck.cn/products/isck03.html

$$$$
S9288 Casticin.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (347)
4684

>  <Formula> (347)
C19H18O8

>  <MolWeight> (347)
374.34142

>  <Cat> (347)
S9288

>  <Name> (347)
Casticin

>  <Synonyms> (347)
Vitexicarpin

>  <Target> (347)
Immunology & Inflammation related

>  <Form> (347)
free base

>  <CAS> (347)
479-91-4

>  <URL> (347)
https://www.selleckchem.com/products/casticin.html

$$$$
S9313 Atractylenolide III.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (348)
4702

>  <Formula> (348)
C15H20O3

>  <MolWeight> (348)
248.3175

>  <Cat> (348)
S9313

>  <Name> (348)
Atractylenolide III

>  <Target> (348)
Immunology & Inflammation related

>  <Form> (348)
free base

>  <CAS> (348)
73030-71-4

>  <URL> (348)
https://www.selleckchem.com/products/atractylenolide-iii.html

$$$$

csChFnd80/01162513232D

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>  <Mol_ID> (349)
4762

>  <Formula> (349)
C24H29N5O3

>  <MolWeight> (349)
435.51876

>  <Cat> (349)
S8772

>  <Name> (349)
LY 3200882

>  <Synonyms> (349)
N/A

>  <Target> (349)
TGF-beta/Smad

>  <Form> (349)
Free Base

>  <CAS> (349)
1898283-02-7

>  <URL> (349)
http://www.selleckchem.com/products/ly3200882.html

$$$$

csChFnd80/01162513232D

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 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> (350)
4771

>  <Formula> (350)
C17H13ClN2O3

>  <MolWeight> (350)
328.74972

>  <Cat> (350)
S8813

>  <Name> (350)
LIT-927

>  <Synonyms> (350)
N/A

>  <Target> (350)
CXCR

>  <Form> (350)
Free Base

>  <CAS> (350)
2172879-52-4

>  <URL> (350)
http://www.selleckchem.com/products/lit-927.html

$$$$

csChFnd80/01162513232D

 39 43  0  0  0  0  0  0  0  0999 V2000
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    6.0761    4.1095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6420    4.1097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4316    2.0008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5086    6.9094    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7159    6.1991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6466    2.7037    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8545    4.8027    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0669    6.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0805    2.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    1.9992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4363    4.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    2.6977    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9435    5.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5236    8.3107    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2131    4.0878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5080    4.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8620    6.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7309    4.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1644    6.2163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9444    4.1094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3822    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3103    9.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7436   10.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388    5.5121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8839    3.4034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6742    1.3068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9 19  1  0  0  0  0
 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14 17  1  0  0  0  0
  7 15  1  1  0  0  0
 16  6  1  0  0  0  0
 17 13  1  0  0  0  0
 18  3  1  0  0  0  0
 19 10  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  2  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 25  5  1  0  0  0  0
  5 26  1  1  0  0  0
  2 27  1  1  0  0  0
  4 28  1  1  0  0  0
 12 29  1  1  0  0  0
 14 30  1  1  0  0  0
  3 31  1  6  0  0  0
 32 15  1  0  0  0  0
 17 33  1  6  0  0  0
 34 25  1  0  0  0  0
 16 35  1  1  0  0  0
 23 36  1  6  0  0  0
  2  9  1  0  0  0  0
 20 18  1  0  0  0  0
 24 21  1  0  0  0  0
 12  8  1  0  0  0  0
 14  5  1  0  0  0  0
  6 37  1  1  0  0  0
  2  3  1  0  0  0  0
  9 38  1  6  0  0  0
  3  1  1  0  0  0  0
  8 39  1  6  0  0  0
M  END
>  <Mol_ID> (351)
4809

>  <Formula> (351)
C30H48O6

>  <MolWeight> (351)
504.69852

>  <Cat> (351)
S9502

>  <Name> (351)
Madecassic acid

>  <Synonyms> (351)
Brahmic acid

>  <Target> (351)
COX,Immunology & Inflammation related,Interleukins,NF-¦ÊB,NOS,TNF-alpha

>  <Form> (351)
Free Base

>  <CAS> (351)
18449-41-7

>  <URL> (351)
http://www.selleckchem.com/products/madecassic-acid.html

$$$$

csChFnd80/01162513232D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.5657    2.4641    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3886    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7202    1.7640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7202    3.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3886    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    1.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077    3.8692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4099    3.1673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4065    1.7661    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7424    1.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7422    3.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9559    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5629    4.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077    5.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9558    4.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    0.3743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  1  0  0  0
  1  2  1  6  0  0  0
 12  1  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  2  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 17  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
 10  9  1  0  0  0  0
  9 16  1  6  0  0  0
 10 11  1  0  0  0  0
 13 10  1  0  0  0  0
 10 15  1  6  0  0  0
 11 12  1  0  0  0  0
 11 18  1  6  0  0  0
M  END
>  <Mol_ID> (352)
4818

>  <Formula> (352)
C15H22O2

>  <MolWeight> (352)
234.33398

>  <Cat> (352)
S9554

>  <Name> (352)
Bakkenolide A

>  <Synonyms> (352)
Fukinanolid

>  <Target> (352)
Others

>  <Form> (352)
Free Base

>  <CAS> (352)
19906-72-0

>  <URL> (352)
http://www.selleckchem.com/products/bakkenolide-a.html

$$$$

csChFnd80/01162513232D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    3.6373    4.2000    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  2  0  0  0  0
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M  END
>  <Mol_ID> (353)
4826

>  <Formula> (353)
C10H8O5

>  <MolWeight> (353)
208.16752

>  <Cat> (353)
S9503

>  <Name> (353)
Fraxetin

>  <Synonyms> (353)
7,8-dihydroxy-6-methoxy coumarin

>  <Target> (353)
Heme Oxygenase

>  <Form> (353)
free base

>  <CAS> (353)
574-84-5

>  <URL> (353)
https://www.selleckchem.com/products/fraxetin.html

$$$$

csChFnd80/01162513232D

 35 38  0  0  0  0  0  0  0  0999 V2000
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    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 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
  6 16  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 28  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (354)
4833

>  <Formula> (354)
C24H26FN7O3

>  <MolWeight> (354)
479.5067432

>  <Cat> (354)
S8780

>  <Name> (354)
AZD3229

>  <Synonyms> (354)
N/A

>  <Target> (354)
c-Kit,PDGFR

>  <Form> (354)
free base

>  <CAS> (354)
2248003-60-1

>  <URL> (354)
http://www.selleck.cn/products/azd3229.html

$$$$

csChFnd80/01162513232D

 39 43  0  0  0  0  0  0  0  0999 V2000
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   10.9601    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7516    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3822    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6822    4.6710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6189    3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6884    6.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2557    7.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8863    8.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (355)
4839

>  <Formula> (355)
C30H35N7O2

>  <MolWeight> (355)
525.6446

>  <Cat> (355)
S8817

>  <Name> (355)
Almonertinib (HS-10296)

>  <Synonyms> (355)
Aumolertinib, Ameile

>  <Target> (355)
EGFR

>  <Form> (355)
Free Base

>  <CAS> (355)
1899921-05-1

>  <URL> (355)
http://www.selleck.cn/products/hs-10296.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (356)
4840

>  <Formula> (356)
C22H21F4N3O4

>  <MolWeight> (356)
467.4134528

>  <Cat> (356)
S8821

>  <Name> (356)
GSK3179106

>  <Synonyms> (356)
N/A

>  <Target> (356)
c-RET

>  <Form> (356)
Free Base

>  <CAS> (356)
1627856-64-7

>  <URL> (356)
http://www.selleck.cn/products/gsk3179106.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (357)
4856

>  <Formula> (357)
C32H31N3O5S

>  <MolWeight> (357)
569.67064

>  <Cat> (357)
S8788

>  <Name> (357)
CH7057288

>  <Synonyms> (357)
N/A

>  <Target> (357)
Trk receptor

>  <Form> (357)
Free Base

>  <CAS> (357)
2095616-82-1

>  <URL> (357)
http://www.selleck.cn/products/ch7057288.html

$$$$

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M  END
>  <Mol_ID> (358)
4862

>  <Formula> (358)
C21H17N9O2S

>  <MolWeight> (358)
459.48378

>  <Cat> (358)
S8676

>  <Name> (358)
Glumetinib (SCC244)

>  <Synonyms> (358)
N/A

>  <Target> (358)
c-Met,RON

>  <Form> (358)
free base

>  <CAS> (358)
1642581-63-2

>  <URL> (358)
http://www.selleck.cn/products/glumetinib.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (359)
4870

>  <Formula> (359)
C20H12F2N6

>  <MolWeight> (359)
374.3462864

>  <Cat> (359)
S8854

>  <Name> (359)
JNJ-38877618(OMO-1)

>  <Synonyms> (359)
N/A

>  <Target> (359)
c-Met

>  <Form> (359)
free base

>  <CAS> (359)
943540-74-7

>  <URL> (359)
http://www.selleck.cn/products/jnj-38877618.html

$$$$

csChFnd80/01162513232D

 40 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (360)
4878

>  <Formula> (360)
C26H29Cl4FN6O3

>  <MolWeight> (360)
634.3572632

>  <Cat> (360)
S2934

>  <Name> (360)
Ensartinib (X-396) dihydrochloride

>  <Synonyms> (360)
N/A

>  <Target> (360)
ALK

>  <Form> (360)
Dihydrochloride

>  <CAS> (360)
2137030-98-7

>  <URL> (360)
http://www.selleck.cn/products/ensartinib-dihydrochloride.html

$$$$

csChFnd80/01162513232D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 27  1  1  0  0  0  0
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M  END
>  <Mol_ID> (361)
4884

>  <Formula> (361)
C21H16F3N3O3

>  <MolWeight> (361)
415.3652496

>  <Cat> (361)
S6526

>  <Name> (361)
SKLB 610

>  <Synonyms> (361)
N/A

>  <Target> (361)
FGFR,PDGFR,VEGFR

>  <Form> (361)
Free Base

>  <CAS> (361)
1125780-41-7

>  <URL> (361)
http://www.selleck.cn/products/sklb610.html

$$$$

csChFnd80/01162513232D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
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 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (362)
4885

>  <Formula> (362)
C17H16BrN3O2

>  <MolWeight> (362)
374.23184

>  <Cat> (362)
S6530

>  <Name> (362)
EBE-A22

>  <Synonyms> (362)
N/A

>  <Target> (362)
EGFR

>  <Form> (362)
Free Base

>  <CAS> (362)
229476-53-3

>  <URL> (362)
http://www.selleck.cn/products/ebe-a22.html

$$$$

csChFnd80/01162513232D

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EGFR

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N/A

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>  <Form> (365)
Free Base

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108237-91-8

>  <URL> (365)
http://www.selleck.cn/products/rcgd423.html

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>  <Name> (366)
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>  <Target> (366)
CXCR

>  <Form> (366)
Free Base

>  <CAS> (366)
897657-95-3

>  <URL> (366)
http://www.selleck.cn/products/msx-122.html

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>  <Synonyms> (367)
N/A

>  <Target> (367)
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>  <Form> (367)
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>  <CAS> (367)
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>  <URL> (367)
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303997-35-5

>  <URL> (369)
http://www.selleck.cn/products/r-7050.html

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878385-84-3

>  <URL> (370)
http://www.selleck.cn/products/azd-5069.html

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>  <URL> (371)
http://www.selleck.cn/products/itd-1.html

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4948

>  <Formula> (372)
C21H23ClFNO2

>  <MolWeight> (372)
375.8642232

>  <Cat> (372)
S6727

>  <Name> (372)
AX-024 HCl

>  <Synonyms> (372)
N/A

>  <Target> (372)
CD markers,IFN,Interleukins,TNF-alpha

>  <Form> (372)
Hydrochloride

>  <CAS> (372)
1704801-24-0

>  <URL> (372)
http://www.selleck.cn/products/ax-024-hcl.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (373)
4974

>  <Formula> (373)
C21H23N3O5

>  <MolWeight> (373)
397.42442

>  <Cat> (373)
S8506

>  <Name> (373)
Navarixin (SCH-527123)

>  <Synonyms> (373)
MK-7123, PS-291822

>  <Target> (373)
CXCR

>  <Form> (373)
Free Base

>  <CAS> (373)
473727-83-2

>  <URL> (373)
http://www.selleck.cn/products/sch-527123.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (374)
4977

>  <Formula> (374)
C23H20N6O

>  <MolWeight> (374)
396.4445

>  <Cat> (374)
S8814

>  <Name> (374)
zipalertinib

>  <Synonyms> (374)
CLN-081, TPC-064,TAS6417

>  <Target> (374)
EGFR

>  <Form> (374)
Free Base

>  <CAS> (374)
1661854-97-2

>  <URL> (374)
http://www.selleck.cn/products/tas6417.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (375)
4983

>  <Formula> (375)
C22H22N6O3

>  <MolWeight> (375)
418.44848

>  <Cat> (375)
S8848

>  <Name> (375)
Futibatinib (TAS-120)

>  <Synonyms> (375)
N/A

>  <Target> (375)
FGFR

>  <Form> (375)
Free Base

>  <CAS> (375)
1448169-71-8

>  <URL> (375)
http://www.selleck.cn/products/tas-120.html

$$$$

csChFnd80/01162513232D

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1303420-67-8

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http://www.selleck.cn/products/plx5622.html

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334951-90-5

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http://www.selleck.cn/products/bibf-0775.html

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15966-93-5

>  <URL> (379)
http://www.selleck.cn/products/su5408.html

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>  <URL> (380)
http://www.selleck.cn/products/sri-011381.html

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N/A

>  <Target> (381)
Bcr-Abl,c-Kit,c-RET,FLT3

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Free Base

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630124-46-8

>  <URL> (381)
http://www.selleck.cn/products/ast-487.html

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>  <Synonyms> (382)
N/A

>  <Target> (382)
FGFR,VEGFR

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Free Base

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1430723-35-5

>  <URL> (382)
http://www.selleck.cn/products/odm-203.html

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>  <Formula> (383)
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>  <MolWeight> (383)
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84088-42-6

>  <URL> (383)
http://www.selleck.cn/products/roquinimex.html

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csChFnd80/01162513232D

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>  <CAS> (384)
183619-38-7

>  <URL> (384)
http://www.selleck.cn/products/cpi-1189.html

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csChFnd80/01162513232D

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1646839-59-9

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1648843-04-2

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  1 37  1  0  0  0  0
  3 18  2  0  0  0  0
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 30 31  1  0  0  0  0
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 33 38  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  2  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (389)
5109

>  <Formula> (389)
C28H27ClN3NaO5

>  <MolWeight> (389)
543.97385

>  <Cat> (389)
S6776

>  <Name> (389)
TM5275 Sodium

>  <Synonyms> (389)
TM 5275 sodium salt

>  <Target> (389)
PAI-1

>  <Form> (389)
Sodium

>  <CAS> (389)
1103926-82-4

>  <URL> (389)
http://www.selleckchem.com/products/tm5275-sodium.html

$$$$

csChFnd80/01162513232D

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 13 22  1  0  0  0  0
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M  END
>  <Mol_ID> (390)
5111

>  <Formula> (390)
C21H17ClN2O6

>  <MolWeight> (390)
428.82248

>  <Cat> (390)
S6778

>  <Name> (390)
TM5441

>  <Synonyms> (390)
N/A

>  <Target> (390)
PAI-1

>  <Form> (390)
Free Base

>  <CAS> (390)
1190221-43-2

>  <URL> (390)
http://www.selleckchem.com/products/tm5441.html

$$$$

csChFnd80/01162513232D

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  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
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  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
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M  END
>  <Mol_ID> (391)
5130

>  <Formula> (391)
C15H10FNO

>  <MolWeight> (391)
239.2444032

>  <Cat> (391)
S6808

>  <Name> (391)
SU5205

>  <Synonyms> (391)
N/A

>  <Target> (391)
VEGFR

>  <Form> (391)
Free Base

>  <CAS> (391)
3476-86-6

>  <URL> (391)
http://www.selleckchem.com/products/su-5205.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (392)
5131

>  <Formula> (392)
C16H13NO2

>  <MolWeight> (392)
251.27992

>  <Cat> (392)
S6809

>  <Name> (392)
SU5214

>  <Synonyms> (392)
N/A

>  <Target> (392)
EGFR,VEGFR

>  <Form> (392)
Free Base

>  <CAS> (392)
186611-04-1

>  <URL> (392)
http://www.selleckchem.com/products/su-5214.html

$$$$

csChFnd80/01162513232D

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 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 27 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
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 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <Mol_ID> (393)
5132

>  <Formula> (393)
C32H39N7O4

>  <MolWeight> (393)
585.69656

>  <Cat> (393)
S6813

>  <Name> (393)
Mobocertinib (TAK788)

>  <Synonyms> (393)
AP32788

>  <Target> (393)
EGFR,HER2

>  <Form> (393)
Free Base

>  <CAS> (393)
1847461-43-1

>  <URL> (393)
http://www.selleckchem.com/products/tak788.html

$$$$

csChFnd80/01162513232D

 14 16  0  0  0  0  0  0  0  0999 V2000
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  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
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
 11 12  1  0  0  0  0
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  1 14  2  0  0  0  0
  2 11  2  0  0  0  0
M  END
>  <Mol_ID> (394)
5140

>  <Formula> (394)
C12H8N2

>  <MolWeight> (394)
180.20532

>  <Cat> (394)
S6830

>  <Name> (394)
o-Phenanthroline

>  <Synonyms> (394)
1,10-Phenanthroline, phen

>  <Target> (394)
MMP

>  <Form> (394)
Free Base

>  <CAS> (394)
66-71-7

>  <URL> (394)
http://www.selleckchem.com/products/o-phenanthroline.html

$$$$

csChFnd80/01162513232D

 29 32  0  0  0  0  0  0  0  0999 V2000
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   13.5086    3.9468    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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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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   12.0096    6.2744    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
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 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  2  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 18  1  0  0  0  0
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 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> (395)
5145

>  <Formula> (395)
C21H16ClFN2O3S

>  <MolWeight> (395)
430.8797432

>  <Cat> (395)
S8954

>  <Name> (395)
STING agonist-1 (G10)

>  <Synonyms> (395)
N/A

>  <Target> (395)
IFN,STING

>  <Form> (395)
Free Base

>  <CAS> (395)
702662-50-8

>  <URL> (395)
http://www.selleckchem.com/products/sting-agonist-1-g10.html

$$$$

csChFnd80/01162513232D

 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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    8.4871    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
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  3 14  2  0  0  0  0
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  6 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  1  0  0  0
  8 11  1  0  0  0  0
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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
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 18 20  2  0  0  0  0
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M  END
>  <Mol_ID> (396)
5153

>  <Formula> (396)
C18H18N2O5

>  <MolWeight> (396)
342.34592

>  <Cat> (396)
S0129

>  <Name> (396)
SB-297006

>  <Synonyms> (396)
N/A

>  <Target> (396)
CCR

>  <Form> (396)
Free Base

>  <CAS> (396)
58816-69-6

>  <URL> (396)
http://www.selleckchem.com/products/sb297006.html

$$$$

csChFnd80/01162513232D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   15.7619    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
  2 29  1  0  0  0  0
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 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (397)
5167

>  <Formula> (397)
C21H18F3N5O

>  <MolWeight> (397)
413.3957296

>  <Cat> (397)
S0360

>  <Name> (397)
EGFR Inhibitor

>  <Synonyms> (397)
EGFR-IN-12

>  <Target> (397)
EGFR,Microtubule Associated

>  <Form> (397)
Free Base

>  <CAS> (397)
879127-07-8

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

$$$$

csChFnd80/01162513232D

 34 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (398)
5176

>  <Formula> (398)
C24H28N6O3S

>  <MolWeight> (398)
480.58252

>  <Cat> (398)
S0487

>  <Name> (398)
Sulfatinib

>  <Synonyms> (398)
HMPL-012, Sufatinib, Surfatinib, Surufatinib

>  <Target> (398)
CSF-1R,FGFR,VEGFR

>  <Form> (398)
Free Base

>  <CAS> (398)
1308672-74-3

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

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (399)
5178

>  <Formula> (399)
C14H10BrNOS

>  <MolWeight> (399)
320.2043

>  <Cat> (399)
S0523

>  <Name> (399)
SB 4

>  <Synonyms> (399)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (399)
TGF-beta/Smad

>  <Form> (399)
Free Base

>  <CAS> (399)
100874-08-6

>  <URL> (399)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/01162513232D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (400)
5203

>  <Formula> (400)
C23H26FN5O3

>  <MolWeight> (400)
439.4826432

>  <Cat> (400)
S6843

>  <Name> (400)
Vorolanib

>  <Synonyms> (400)
X-82,CM082

>  <Target> (400)
PDGFR,VEGFR

>  <Form> (400)
Free Base

>  <CAS> (400)
1013920-15-4

>  <URL> (400)
http://www.selleckchem.com/products/vorolanib.html

$$$$

csChFnd80/01162513232D

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>  <Mol_ID> (401)
5207

>  <Formula> (401)
C24H24N4O5S

>  <MolWeight> (401)
480.53616

>  <Cat> (401)
S7688

>  <Name> (401)
Ki20227

>  <Synonyms> (401)
KI-20227

>  <Target> (401)
c-Kit,CSF-1R,PDGFR,VEGFR

>  <Form> (401)
Free Base

>  <CAS> (401)
623142-96-1

>  <URL> (401)
http://www.selleckchem.com/products/ki20227.html

$$$$

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5224

>  <Formula> (402)
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>  <Synonyms> (402)
N/A

>  <Target> (402)
ALK,PROTAC

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free base

>  <CAS> (402)
2229036-62-6

>  <URL> (402)
http://www.selleckchem.com/products/ms4078.html

$$$$

csChFnd80/01162513232D

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N/A

>  <Target> (403)
CCR

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free base

>  <CAS> (403)
1286279-29-5

>  <URL> (403)
http://www.selleckchem.com/products/bms813160.html

$$$$

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5228

>  <Formula> (404)
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>  <MolWeight> (404)
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>  <Cat> (404)
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>  <Target> (404)
FGFR

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1513857-77-6

>  <URL> (404)
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$$$$

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M  END
>  <Mol_ID> (405)
5229

>  <Formula> (405)
C16H10ClF6NO2

>  <MolWeight> (405)
397.6995192

>  <Cat> (405)
S0094

>  <Name> (405)
SR 0987

>  <Synonyms> (405)
N/A

>  <Target> (405)
Interleukins,PD-1/PD-L1,ROR

>  <Form> (405)
free base

>  <CAS> (405)
303126-97-8

>  <URL> (405)
http://www.selleckchem.com/products/sr0987.html

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csChFnd80/01162513232D

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 11 13  1  0  0  0  0
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 17 24  2  0  0  0  0
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M  END
>  <Mol_ID> (406)
5235

>  <Formula> (406)
C25H26ClN3O

>  <MolWeight> (406)
419.94644

>  <Cat> (406)
S0135

>  <Name> (406)
JMS-17-2

>  <Synonyms> (406)
N/A

>  <Target> (406)
GPR

>  <Form> (406)
free base

>  <CAS> (406)
1380392-05-1

>  <URL> (406)
http://www.selleckchem.com/products/jms-17-2.html

$$$$

csChFnd80/01162513232D

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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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M  END
>  <Mol_ID> (407)
5247

>  <Formula> (407)
C15H9Cl2NO

>  <MolWeight> (407)
290.14406

>  <Cat> (407)
S0228

>  <Name> (407)
SU 5201

>  <Synonyms> (407)
NSC 247030

>  <Target> (407)
Interleukins

>  <Form> (407)
free base

>  <CAS> (407)
114727-43-4

>  <URL> (407)
http://www.selleckchem.com/products/nsc-247030.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (408)
5250

>  <Formula> (408)
C15H13ClN2O

>  <MolWeight> (408)
272.72952

>  <Cat> (408)
S0278

>  <Name> (408)
SU5614

>  <Synonyms> (408)
Chloro-SU5416, Chloro-Semaxanib

>  <Target> (408)
Apoptosis related,c-Kit,FLT3,VEGFR

>  <Form> (408)
free base

>  <CAS> (408)
1055412-47-9

>  <URL> (408)
http://www.selleckchem.com/products/su5614.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (409)
5259

>  <Formula> (409)
C15H17ClN6O3

>  <MolWeight> (409)
364.78688

>  <Cat> (409)
S0377

>  <Name> (409)
CS-2660 (JNJ-38158471)

>  <Synonyms> (409)
N/A

>  <Target> (409)
c-Kit,c-RET,VEGFR

>  <Form> (409)
free base

>  <CAS> (409)
951151-97-6

>  <URL> (409)
http://www.selleckchem.com/products/jnj-38158471.html

$$$$

csChFnd80/01162513232D

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 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 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (410)
5279

>  <Formula> (410)
C23H40N2O3

>  <MolWeight> (410)
392.5753

>  <Cat> (410)
S0752

>  <Name> (410)
AUDA

>  <Synonyms> (410)
N/A

>  <Target> (410)
Epoxide Hydrolase,Interleukins,MMP,p38 MAPK,TGF-beta/Smad,TNF-alpha

>  <Form> (410)
free base

>  <CAS> (410)
479413-70-2

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

$$$$

csChFnd80/01162513232D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.2554    7.4783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353    6.3496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    5.0182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    7.3320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8680    5.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7353    4.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1949    4.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4354    6.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1814    5.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7353    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    7.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5290    5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5229    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9478    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    8.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5229    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9478    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7353    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9619    9.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    9.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 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> (411)
5281

>  <Formula> (411)
C17H17N3O

>  <MolWeight> (411)
279.33638

>  <Cat> (411)
S0777

>  <Name> (411)
Isuzinaxib (APX-115 free base)

>  <Synonyms> (411)
Ewha-18278 free base

>  <Target> (411)
CCR,Interleukins,NADPH-oxidase,TNF-alpha

>  <Form> (411)
free base

>  <CAS> (411)
1270084-92-8

>  <URL> (411)
http://www.selleckchem.com/products/apx-115-free-base.html

$$$$

csChFnd80/01162513232D

 41 42  0  0  0  0  0  0  0  0999 V2000
    5.3638    1.4732    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7638    1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3638    2.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3638    0.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.2089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.3089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.7089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   11.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   11.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9638    1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4516    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 36  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8 17  2  0  0  0  0
  8 20  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 25  2  0  0  0  0
 12 23  1  0  0  0  0
 12 31  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  2  0  0  0  0
 27 28  2  0  0  0  0
 28 33  1  0  0  0  0
 28 35  1  0  0  0  0
 29 32  2  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 37 40  2  0  0  0  0
 37 41  1  0  0  0  0
M  END
>  <Mol_ID> (412)
5282

>  <Formula> (412)
C25H34N6O8S2

>  <MolWeight> (412)
610.70286

>  <Cat> (412)
S0785

>  <Name> (412)
Apilimod (STA-5326) mesylate

>  <Synonyms> (412)
STA-5326 mesylate

>  <Target> (412)
Interleukins,PIKfyve

>  <Form> (412)
mesylate

>  <CAS> (412)
870087-36-8

>  <URL> (412)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/01162513232D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.5168    3.1672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9636    2.4611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7582    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9313    1.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7496    4.9283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7496    7.1816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.8549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3636    2.4634    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1846    3.5976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1885    1.3322    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5192    1.7672    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6532    0.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3300    4.9788    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  9  2  1  1  0  0  0
 11  3  1  1  0  0  0
  4 13  1  0  0  0  0
 10  5  1  6  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 15  2  0  0  0  0
  6 16  1  0  0  0  0
  7 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (413)
5283

>  <Formula> (413)
C11H15ClN4O4

>  <MolWeight> (413)
302.7142

>  <Cat> (413)
S0787

>  <Name> (413)
3-Deazaadenosine hydrochloride

>  <Synonyms> (413)
3-DZA HCl, c3Ado HCl

>  <Target> (413)
Interleukins,TNF-alpha

>  <Form> (413)
hydrochloride

>  <CAS> (413)
86583-19-9

>  <URL> (413)
http://www.selleckchem.com/products/3-deazaadenosine-hydrochloride.html

$$$$

csChFnd80/01162513232D

 40 43  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.1523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4162    6.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    8.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2395    8.7372    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
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  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  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
 22 23  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 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
 11 37  1  6  0  0  0
 17 38  1  6  0  0  0
 21 39  1  6  0  0  0
 16 40  1  6  0  0  0
M  END
>  <Mol_ID> (414)
5291

>  <Formula> (414)
C30H48O7

>  <MolWeight> (414)
520.69792

>  <Cat> (414)
S0949

>  <Name> (414)
Cucurbitacin IIb

>  <Synonyms> (414)
CuIIb, Dihydrocucurbitacin F, 25-deacetyl hemslecin A

>  <Target> (414)
Apoptosis related,ERK,I¦ÊB/IKK,JNK,NF-¦ÊB,STAT,TNF-alpha

>  <Form> (414)
free base

>  <CAS> (414)
50298-90-3

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

$$$$

csChFnd80/01162513232D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (415)
5300

>  <Formula> (415)
C10H14O

>  <MolWeight> (415)
150.21756

>  <Cat> (415)
S3205

>  <Name> (415)
Perillaldehyde

>  <Synonyms> (415)
Perilladehyde, Perillal, PAE, PA

>  <Target> (415)
AhR,CCR,Nrf2,ROS

>  <Form> (415)
free base

>  <CAS> (415)
18031-40-8

>  <URL> (415)
http://www.selleckchem.com/products/perillaldehyde.html

$$$$

csChFnd80/01162513232D

 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> (416)
5309

>  <Formula> (416)
C7H14O6

>  <MolWeight> (416)
194.18246

>  <Cat> (416)
S3223

>  <Name> (416)
L-Quebrachitol

>  <Synonyms> (416)
L-QCT

>  <Target> (416)
NF-¦ÊB,RUNX,TGF-beta/Smad,Wnt/beta-catenin

>  <Form> (416)
free base

>  <CAS> (416)
642-38-6

>  <URL> (416)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/01162513232D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8413    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7024    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
  9 10  1  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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  8 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (417)
5320

>  <Formula> (417)
C18H20O5

>  <MolWeight> (417)
316.3484

>  <Cat> (417)
S3242

>  <Name> (417)
Loureirin B

>  <Synonyms> (417)
LB, LrB

>  <Target> (417)
Calcium Channel,ERK,JNK,PAI-1,Potassium Channel

>  <Form> (417)
free base

>  <CAS> (417)
119425-90-0

>  <URL> (417)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/01162513232D

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    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
    1.2124    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  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
  2  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
 10 12  1  1  0  0  0
  9 13  1  6  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
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  2  0  0  0  0
  8 27  1  0  0  0  0
M  END
>  <Mol_ID> (418)
5335

>  <Formula> (418)
C21H26O6

>  <MolWeight> (418)
374.42754

>  <Cat> (418)
S3261

>  <Name> (418)
Myrislignan

>  <Synonyms> (418)
N/A

>  <Target> (418)
Anti-infection,COX,Interleukins,NF-¦ÊB,NOS,TNF-alpha

>  <Form> (418)
free base

>  <CAS> (418)
171485-39-5

>  <URL> (418)
http://www.selleckchem.com/products/myrislignan.html

$$$$

csChFnd80/01162513232D

 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> (419)
5360

>  <Formula> (419)
C17H24O2

>  <MolWeight> (419)
260.37126

>  <Cat> (419)
S3292

>  <Name> (419)
Falcarindiol

>  <Synonyms> (419)
FAD, (3R,8S)-Falcarindiol, FaDOH

>  <Target> (419)
ERK,Interleukins,JNK,NOS,STAT,TNF-alpha

>  <Form> (419)
free base

>  <CAS> (419)
225110-25-8

>  <URL> (419)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/01162513232D

 30 32  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
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3462    6.2694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9539    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845    5.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1503    3.6325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7660    5.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6985    6.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3462    7.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985    7.8442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0049    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
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  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 10  1  0  0  0  0
 10 14  1  1  0  0  0
  9 15  1  1  0  0  0
 11 16  1  1  0  0  0
 11 17  1  6  0  0  0
 16 18  1  0  0  0  0
  8 19  1  1  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 21  1  1  0  0  0
 25 26  1  6  0  0  0
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 24 28  1  1  0  0  0
 22 29  1  1  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (420)
5361

>  <Formula> (420)
C17H24O11

>  <MolWeight> (420)
404.36586

>  <Cat> (420)
S3293

>  <Name> (420)
Gardenoside

>  <Synonyms> (420)
N/A

>  <Target> (420)
Interleukins,NF-¦ÊB,P2 Receptor,TNF-alpha

>  <Form> (420)
free base

>  <CAS> (420)
24512-62-7

>  <URL> (420)
http://www.selleckchem.com/products/gardenoside.html

$$$$

csChFnd80/01162513232D

 34 36  0  0  0  0  0  0  0  0999 V2000
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    4.8497   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 20  1  0  0  0  0
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 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 31  1  0  0  0  0
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  2  3  1  0  0  0  0
  1 34  1  0  0  0  0
M  END
>  <Mol_ID> (421)
5381

>  <Formula> (421)
C27H33ClN2O4

>  <MolWeight> (421)
485.01492

>  <Cat> (421)
S6760

>  <Name> (421)
LM22B-10

>  <Synonyms> (421)
N/A

>  <Target> (421)
Akt,ERK,Trk receptor

>  <Form> (421)
free base

>  <CAS> (421)
342777-54-2

>  <URL> (421)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/01162513232D

 31 36  0  0  0  0  0  0  0  0999 V2000
   11.6149    6.2716    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 24  2  0  0  0  0
 22 26  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
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 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (422)
5382

>  <Formula> (422)
C20H15F3N8

>  <MolWeight> (422)
424.3819096

>  <Cat> (422)
S6762

>  <Name> (422)
Bozitinib (PLB-1001)

>  <Synonyms> (422)
CBT-101, APL-101, CBI-3103

>  <Target> (422)
c-Met

>  <Form> (422)
free base

>  <CAS> (422)
1440964-89-5

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

$$$$

csChFnd80/01162513232D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 19 24  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 24 25  1  0  0  0  0
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 23 28  1  0  0  0  0
 21 29  1  0  0  0  0
 30 31  1  0  0  0  0
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 15 18  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
>  <Mol_ID> (423)
5390

>  <Formula> (423)
C24H28N6O

>  <MolWeight> (423)
416.51872

>  <Cat> (423)
S6850

>  <Name> (423)
NE 52-QQ57

>  <Synonyms> (423)
N/A

>  <Target> (423)
cAMP,COX,GPR,Interleukins,NOS,PGES,TNF-alpha

>  <Form> (423)
free base

>  <CAS> (423)
1401728-56-0

>  <URL> (423)
http://www.selleckchem.com/products/ne-52-qq57.html

$$$$

csChFnd80/01162513232D

 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (424)
5396

>  <Formula> (424)
C29H35F3N8O5S

>  <MolWeight> (424)
664.6990096

>  <Cat> (424)
S6868

>  <Name> (424)
Alflutinib (AST2818) mesylate

>  <Synonyms> (424)
Furmonertinib mesylate

>  <Target> (424)
EGFR,P450 (e.g. CYP17)

>  <Form> (424)
mesylate

>  <CAS> (424)
2130958-55-1

>  <URL> (424)
https://www.selleckchem.com/products/alflutinib-ast2818-mesylate.html

$$$$

csChFnd80/01162513232D

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 37 40  2  0  0  0  0
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M  END
>  <Mol_ID> (425)
5397

>  <Formula> (425)
C31H29FN4O5

>  <MolWeight> (425)
556.5841632

>  <Cat> (425)
S6870

>  <Name> (425)
Ningetinib

>  <Synonyms> (425)
CT-053, DE-120, CT053PTSA

>  <Target> (425)
Axl,c-Met,VEGFR

>  <Form> (425)
free base

>  <CAS> (425)
1394820-69-9

>  <URL> (425)
http://www.selleckchem.com/products/ningetinib.html

$$$$

csChFnd80/01162513232D

 50 54  0  0  0  0  0  0  0  0999 V2000
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 38 39  2  0  0  0  0
 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  2  0  0  0  0
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 44 45  1  0  0  0  0
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M  END
>  <Mol_ID> (426)
5418

>  <Formula> (426)
C41H52N4O4S

>  <MolWeight> (426)
696.94098

>  <Cat> (426)
S8512

>  <Name> (426)
Cenicriviroc (TAK-652)

>  <Synonyms> (426)
CVC, TBR-652

>  <Target> (426)
CCR,HIV

>  <Form> (426)
free base

>  <CAS> (426)
497223-25-3

>  <URL> (426)
http://www.selleckchem.com/products/cenicriviroc.html

$$$$

csChFnd80/01162513232D

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  5  6  2  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 11 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 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 17 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 21  1  0  0  0  0
M  END
>  <Mol_ID> (427)
5435

>  <Formula> (427)
C18H19N5O3

>  <MolWeight> (427)
353.37516

>  <Cat> (427)
S8965

>  <Name> (427)
BO-264

>  <Synonyms> (427)
N/A

>  <Target> (427)
Apoptosis related,FGFR,TACC3

>  <Form> (427)
free base

>  <CAS> (427)
2408648-20-2

>  <URL> (427)
http://www.selleckchem.com/products/bo-264.html

$$$$

csChFnd80/01162513232D

 35 37  0  0  0  0  0  0  0  0999 V2000
    2.4147    3.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6273    1.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8398    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8398    3.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6273    4.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    4.1884    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0481    1.3930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    1.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2606    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2606    3.4929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4729    1.3930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6855    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8980    1.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5975    4.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8080    3.4941    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
   20.5974    5.5907    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
   21.8059    4.8907    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    0.0001    2.0897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  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  1  2  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  2  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
M  ISO  1  30   2
M  ISO  1  31   2
M  ISO  1  32   2
M  END
>  <Mol_ID> (428)
5450

>  <Formula> (428)
C21H13ClD3F3N4O3

>  <MolWeight> (428)
467.843434934

>  <Cat> (428)
S9621

>  <Name> (428)
Donafenib (Sorafenib D3)

>  <Synonyms> (428)
Bay 43-9006 D3, CM-4307

>  <Target> (428)
Raf,VEGFR

>  <Form> (428)
free base

>  <CAS> (428)
1130115-44-4

>  <URL> (428)
http://www.selleckchem.com/products/donafenib-sorafenib-d3.html

$$$$

csChFnd80/01162513232D

 37 40  0  0  0  0  0  0  0  0999 V2000
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   12.3119    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 28  1  0  0  0  0
  3 20  2  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 35  2  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
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  7 33  2  0  0  0  0
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  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 32  2  0  0  0  0
  9 33  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 18  2  0  0  0  0
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 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
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 22 27  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  2  0  0  0  0
 26 28  2  0  0  0  0
 29 32  1  0  0  0  0
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 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <Mol_ID> (429)
5457

>  <Formula> (429)
C27H27F2N5O3

>  <MolWeight> (429)
507.5317864

>  <Cat> (429)
S9660

>  <Name> (429)
Remibrutinib (LOU064)

>  <Synonyms> (429)
N/A

>  <Target> (429)
BTK,Interleukins

>  <Form> (429)
free base

>  <CAS> (429)
1787294-07-8

>  <URL> (429)
http://www.selleckchem.com/products/remibrutinib-lou064.html

$$$$

csChFnd80/01162513232D

 35 39  0  0  0  0  0  0  0  0999 V2000
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   10.6206    6.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6248    5.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
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 12 13  1  0  0  0  0
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 15  7  1  1  0  0  0
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 26 27  1  0  0  0  0
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 26 29  1  0  0  0  0
 15 30  1  0  0  0  0
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 33 34  1  0  0  0  0
 34 15  1  0  0  0  0
 32 35  1  6  0  0  0
M  END
>  <Mol_ID> (430)
5458

>  <Formula> (430)
C28H40N6O

>  <MolWeight> (430)
476.6568

>  <Cat> (430)
S9662

>  <Name> (430)
UNC2025

>  <Synonyms> (430)
N/A

>  <Target> (430)
Axl,c-Kit,c-Met,FLT3,Mertk,Trk receptor,Tyro3

>  <Form> (430)
free base

>  <CAS> (430)
1429881-91-3

>  <URL> (430)
http://www.selleckchem.com/products/unc2025.html

$$$$

csChFnd80/01162513232D

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    0.0000    6.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    9.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202    9.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0208    4.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9558    3.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
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 11 18  2  0  0  0  0
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 19 20  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (431)
5488

>  <Formula> (431)
C21H18N2O

>  <MolWeight> (431)
314.38042

>  <Cat> (431)
S0765

>  <Name> (431)
MAZ51

>  <Synonyms> (431)
N/A

>  <Target> (431)
Akt,Apoptosis related,GSK-3,Rho,VEGFR

>  <Form> (431)
Free Base

>  <CAS> (431)
163655-37-6

>  <URL> (431)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (432)
5507

>  <Formula> (432)
C53H90O22

>  <MolWeight> (432)
1079.2685

>  <Cat> (432)
S9208

>  <Name> (432)
Ginsenoside Rb3

>  <Synonyms> (432)
N/A

>  <Target> (432)
COX,NF-¦ÊB,NOS

>  <Form> (432)
Free Base

>  <CAS> (432)
68406-26-8

>  <URL> (432)
https://www.selleckchem.com/products/ginsenoside-rb3.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (433)
5517

>  <Formula> (433)
C53H90O22

>  <MolWeight> (433)
1079.2685

>  <Cat> (433)
S9266

>  <Name> (433)
Ginsenoside Rc

>  <Synonyms> (433)
N/A

>  <Target> (433)
Immunology & Inflammation related

>  <Form> (433)
Free Base

>  <CAS> (433)
11021-14-0

>  <URL> (433)
https://www.selleckchem.com/products/ginsenoside-rc.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (434)
5531

>  <Formula> (434)
C41H28O27

>  <MolWeight> (434)
952.64482

>  <Cat> (434)
S9396

>  <Name> (434)
Geraniin

>  <Synonyms> (434)
N/A

>  <Target> (434)
TNF-alpha

>  <Form> (434)
Free Base

>  <CAS> (434)
60976-49-0

>  <URL> (434)
https://www.selleckchem.com/products/geraniin.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (435)
5555

>  <Formula> (435)
C16H14IN3O2

>  <MolWeight> (435)
407.20573

>  <Cat> (435)
S0151

>  <Name> (435)
AG-1557

>  <Synonyms> (435)
N/A

>  <Target> (435)
EGFR

>  <Form> (435)
Free Base

>  <CAS> (435)
189290-58-2

>  <URL> (435)
https://www.selleckchem.com/products/ag-1557.html

$$$$

csChFnd80/01162513232D

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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   15.8071    3.2196    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  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
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 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  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> (436)
5557

>  <Formula> (436)
C16H15FN2O4

>  <MolWeight> (436)
318.2997032

>  <Cat> (436)
S0153

>  <Name> (436)
SJ000291942

>  <Synonyms> (436)
N/A

>  <Target> (436)
TGF-beta/Smad

>  <Form> (436)
Free Base

>  <CAS> (436)
425613-09-8

>  <URL> (436)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/01162513232D

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   12.1285    1.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3993    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2 11  1  0  0  0  0
  2 25  1  0  0  0  0
  3 20  2  0  0  0  0
  4  8  1  0  0  0  0
  4 14  2  0  0  0  0
  5 14  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 10 21  2  0  0  0  0
 11 17  1  0  0  0  0
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 12 22  2  0  0  0  0
 13 16  2  0  0  0  0
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 13 20  1  0  0  0  0
 15 17  2  0  0  0  0
 18 19  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (437)
5573

>  <Formula> (437)
C19H11N3OS2

>  <MolWeight> (437)
361.44014

>  <Cat> (437)
S0289

>  <Name> (437)
KIN1148

>  <Synonyms> (437)
N/A

>  <Target> (437)
IFN,Influenza Virus

>  <Form> (437)
Free Base

>  <CAS> (437)
1428729-56-9

>  <URL> (437)
https://www.selleckchem.com/products/kin1148.html

$$$$

csChFnd80/01162513232D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  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
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  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8  9  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
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 15 17  1  0  0  0  0
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 19 20  1  0  0  0  0
  8  5  2  0  0  0  0
M  END
>  <Mol_ID> (438)
5574

>  <Formula> (438)
C17H15NO2

>  <MolWeight> (438)
265.3065

>  <Cat> (438)
S0290

>  <Name> (438)
SU5204

>  <Synonyms> (438)
N/A

>  <Target> (438)
HER2,VEGFR

>  <Form> (438)
Free Base

>  <CAS> (438)
186611-11-0

>  <URL> (438)
https://www.selleckchem.com/products/su5204.html

$$$$

csChFnd80/01162513232D

 41 45  0  0  0  0  0  0  0  0999 V2000
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  5 33  1  0  0  0  0
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M  END
>  <Mol_ID> (439)
5582

>  <Formula> (439)
C31H29FN4O5

>  <MolWeight> (439)
556.5841632

>  <Cat> (439)
S0361

>  <Name> (439)
AMG-1

>  <Synonyms> (439)
c-Met/RON Dual Kinase Inhibitor, RON-IN-1

>  <Target> (439)
c-Met

>  <Form> (439)
Free Base

>  <CAS> (439)
913376-84-8

>  <URL> (439)
https://www.selleckchem.com/products/amg-1.html

$$$$

csChFnd80/01162513232D

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  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 18  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  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
M  END
>  <Mol_ID> (440)
5603

>  <Formula> (440)
C22H16N2O2

>  <MolWeight> (440)
340.37464

>  <Cat> (440)
S0775

>  <Name> (440)
IRAK4-IN-4

>  <Synonyms> (440)
N/A

>  <Target> (440)
cGAS,IRAK

>  <Form> (440)
Free Base

>  <CAS> (440)
1850276-58-2

>  <URL> (440)
https://www.selleckchem.com/products/irak4-in-4.html

$$$$

csChFnd80/01162513232D

 26 30  0  0  0  0  0  0  0  0999 V2000
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   10.9408    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6068    7.7431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285    1.2462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7442    4.0460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7220    5.0866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2671    1.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    1.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9527    3.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9072    6.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4861    8.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8773    8.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1583    6.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3 22  2  0  0  0  0
  4  8  2  0  0  0  0
  4 14  1  0  0  0  0
  5 10  2  0  0  0  0
  5 15  1  0  0  0  0
  7  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
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (441)
5605

>  <Formula> (441)
C20H11N3O3

>  <MolWeight> (441)
341.31964

>  <Cat> (441)
S0781

>  <Name> (441)
IQ 3

>  <Synonyms> (441)
N/A

>  <Target> (441)
Interleukins,JNK,NF-¦ÊB,TNF-alpha

>  <Form> (441)
Free Base

>  <CAS> (441)
312538-03-7

>  <URL> (441)
https://www.selleckchem.com/products/iq-3.html

$$$$

csChFnd80/01162513232D

 35 37  0  0  0  0  0  0  0  0999 V2000
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    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    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
    9.6995    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    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
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    9.6995    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 20  1  0  0  0  0
  2 31  1  0  0  0  0
  3 24  1  0  0  0  0
  3 32  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  7 14  2  0  0  0  0
  7 28  1  0  0  0  0
  8 23  1  0  0  0  0
  8 30  2  0  0  0  0
  9 28  3  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 21  2  0  0  0  0
 17 20  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 19 25  1  0  0  0  0
 20 24  2  0  0  0  0
 21 26  1  0  0  0  0
 22 24  1  0  0  0  0
 23 27  1  0  0  0  0
 25 29  2  0  0  0  0
 26 27  2  0  0  0  0
 29 30  1  0  0  0  0
 14  5  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
M  END
>  <Mol_ID> (442)
5611

>  <Formula> (442)
C26H30N6O3

>  <MolWeight> (442)
474.5548

>  <Cat> (442)
S0826

>  <Name> (442)
A-740003

>  <Synonyms> (442)
N/A

>  <Target> (442)
Interleukins,P2 Receptor

>  <Form> (442)
Free Base

>  <CAS> (442)
861393-28-4

>  <URL> (442)
https://www.selleckchem.com/products/a-740003.html

$$$$

csChFnd80/01162513232D

 24 24  0  0  0  0  0  0  0  0999 V2000
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   14.5493    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3369    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  2  0  0  0  0
  2 17  2  0  0  0  0
  3 18  2  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 16  1  0  0  0  0
  7 19  1  0  0  0  0
  8 17  1  0  0  0  0
  8 20  1  0  0  0  0
  9 18  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 18  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
M  END
>  <Mol_ID> (443)
5612

>  <Formula> (443)
C15H21N3O6

>  <MolWeight> (443)
339.34374

>  <Cat> (443)
S0827

>  <Name> (443)
LM22A-4

>  <Synonyms> (443)
LM 22A4

>  <Target> (443)
Trk receptor

>  <Form> (443)
Free Base

>  <CAS> (443)
37988-18-4

>  <URL> (443)
https://www.selleckchem.com/products/lm-22a4.html

$$$$

csChFnd80/01162513232D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    4.7507    6.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5384    3.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 24  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  2  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
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  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
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 21 22  1  0  0  0  0
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 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (444)
5613

>  <Formula> (444)
C21H14ClFN2O2

>  <MolWeight> (444)
380.7994632

>  <Cat> (444)
S0836

>  <Name> (444)
TMN355

>  <Synonyms> (444)
N/A

>  <Target> (444)
Immunology & Inflammation related

>  <Form> (444)
Free Base

>  <CAS> (444)
1186372-20-2

>  <URL> (444)
https://www.selleckchem.com/products/tmn355.html

$$$$

csChFnd80/01162513232D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    5.2268    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6516    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2923    5.6084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018    2.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692    3.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    4.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392   10.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144   10.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392   12.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144   12.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    8.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   14.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144    8.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8641    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    3.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0766    6.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    4.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2229    4.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5540    2.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3388    1.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 28  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  1  0  0  0  0
  7 21  2  0  0  0  0
  7 25  1  0  0  0  0
  8 22  1  0  0  0  0
  8 25  2  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  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
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (445)
5629

>  <Formula> (445)
C22H31N9O

>  <MolWeight> (445)
437.54124

>  <Cat> (445)
S1272

>  <Name> (445)
XL228

>  <Synonyms> (445)
N/A

>  <Target> (445)
Aurora Kinase,Bcr-Abl,IGF-1R,Src

>  <Form> (445)
Free Base

>  <CAS> (445)
898280-07-4

>  <URL> (445)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/01162513232D

 44 48  0  0  0  0  0  0  0  0999 V2000
    2.4168    4.1768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6232    4.8734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    2.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    4.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    4.1733    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6232    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339    2.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0033    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    2.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573    4.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    6.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    0.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    2.0905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6705    2.7850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    2.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6705    4.1703    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    4.1847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9001    4.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    4.8621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    5.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2691    5.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6718    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8704    2.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4089    8.2967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6137    8.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6236   10.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8045    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7895    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    6.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    8.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5695    6.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4501    6.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   10.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   13.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5550   13.2183    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
  2  5  1  0  0  0  0
  2  6  1  1  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  6  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 15 16  1  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 20  1  1  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  6  0  0  0
 11 19  1  0  0  0  0
 19 23  1  6  0  0  0
 15 24  1  1  0  0  0
 24 25  1  0  0  0  0
 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 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 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (446)
5630

>  <Formula> (446)
C29H30O13

>  <MolWeight> (446)
586.5407

>  <Cat> (446)
S1273

>  <Name> (446)
Amarogentin

>  <Synonyms> (446)
AG

>  <Target> (446)
Akt,AMPK,Apoptosis related,PI3K,Taste Receptor,TNF-alpha

>  <Form> (446)
Free Base

>  <CAS> (446)
21018-84-8

>  <URL> (446)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/01162513232D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5069    2.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    6.8231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2020    1.6194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    4.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    3.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7670    2.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792    5.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    6.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5720    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0068    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (447)
5641

>  <Formula> (447)
C12H14N2O2

>  <MolWeight> (447)
218.25176

>  <Cat> (447)
S2985

>  <Name> (447)
N-Acetyl-5-hydroxytryptamine

>  <Synonyms> (447)
NAS, N-Acetylserotonin, Normelatonin, O-Demethylmelatonin

>  <Target> (447)
Trk receptor

>  <Form> (447)
Free Base

>  <CAS> (447)
1210-83-9

>  <URL> (447)
https://www.selleckchem.com/products/n-acetyl-5-hydroxytryptamine.html

$$$$

csChFnd80/01162513232D

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    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
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (448)
5691

>  <Formula> (448)
C4H11O4P

>  <MolWeight> (448)
154.101501

>  <Cat> (448)
S3312

>  <Name> (448)
Diethyl phosphate

>  <Synonyms> (448)
DEP, DPF, Diethyl phosphoric acid, diethyl hydrogen phosphate

>  <Target> (448)
Interleukins

>  <Form> (448)
Phosphate

>  <CAS> (448)
598-02-7

>  <URL> (448)
https://www.selleckchem.com/products/diethyl-phosphate.html

$$$$

csChFnd80/01162513232D

  1  0  0  0  0  0  0  0  0  0999 V2000
  244.4750 -169.8500    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
A    1
No Structure
M  END
>  <Mol_ID> (449)
5752

>  <Formula> (449)
R

>  <Cat> (449)
S6955

>  <Name> (449)
Insulin (human)

>  <Synonyms> (449)
Insulin regular

>  <Target> (449)
IGF-1R

>  <Form> (449)
Free Base

>  <CAS> (449)
11061-68-0

>  <URL> (449)
https://www.selleckchem.com/products/insulin.html

$$$$

csChFnd80/01162513232D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.6610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    5.9262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2010    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    4.7936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    6.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671    6.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7671    4.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1671    4.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8671    6.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1671    7.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7671    7.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8647    3.5812    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.1671    2.3729    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.2598    3.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  2  0  0  0  0
 13 14  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
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (450)
5783

>  <Formula> (450)
C17H16N4O3

>  <MolWeight> (450)
324.33394

>  <Cat> (450)
S9701

>  <Name> (450)
HS-243

>  <Synonyms> (450)
N/A

>  <Target> (450)
IRAK

>  <Form> (450)
Free Base

>  <CAS> (450)
848249-10-5

>  <URL> (450)
https://www.selleckchem.com/products/hs-243.html

$$$$

csChFnd80/01162513232D

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    5.8404    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.0487    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  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 14  2  0  0  0  0
 11 19  1  0  0  0  0
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 22 11  1  0  0  0  0
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 38 33  1  0  0  0  0
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M  END
>  <Mol_ID> (451)
5800

>  <Formula> (451)
C29H26FN5O3S

>  <MolWeight> (451)
543.6118432

>  <Cat> (451)
S8920

>  <Name> (451)
(Rac)-JBJ-04-125-02

>  <Synonyms> (451)
JBJ-04-125-02 racemate

>  <Target> (451)
EGFR

>  <Form> (451)
Free Base

>  <CAS> (451)
2140807-05-0

>  <URL> (451)
http://www.selleckchem.com/products/jbj-04-125-02.html

$$$$

csChFnd80/01162513232D

 36 39  0  0  0  0  0  0  0  0999 V2000
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   12.4209    5.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1008    7.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5502    2.9374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3378    2.2374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1253    2.9374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8749    4.7640    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 13  1  1  6  0  0  0
 16  2  1  1  0  0  0
  3 25  2  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 28  2  0  0  0  0
  6 30  2  0  0  0  0
  7 33  1  0  0  0  0
  8 33  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 20  1  1  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 15 21  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  1  0  0  0
 17 18  1  0  0  0  0
 19 22  1  0  0  0  0
 21 22  1  0  0  0  0
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 30 31  1  0  0  0  0
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 12 35  1  6  0  0  0
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M  END
>  <Mol_ID> (452)
5802

>  <Formula> (452)
C25H34O8

>  <MolWeight> (452)
462.53266

>  <Cat> (452)
S5972

>  <Name> (452)
Hydrocortisone hemisuccinate

>  <Synonyms> (452)
A-hydrocort, Hydrocortisone 21-hemisuccinate

>  <Target> (452)
Interleukins

>  <Form> (452)
Hemisuccinate

>  <CAS> (452)
2203-97-6

>  <URL> (452)
http://www.selleckchem.com/products/hydrocortisone-hemisuccinate.html

$$$$

csChFnd80/01162513232D

 40 44  0  0  0  0  0  0  0  0999 V2000
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   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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17  2  1  0  0  0  0
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 18 20  1  0  0  0  0
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 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
M  END
>  <Mol_ID> (453)
5815

>  <Formula> (453)
C29H29ClN6O4

>  <MolWeight> (453)
561.03136

>  <Cat> (453)
S9786

>  <Name> (453)
BDTX-189

>  <Synonyms> (453)
N/A

>  <Target> (453)
EGFR,HER2,RIP kinase

>  <Form> (453)
Free Base

>  <CAS> (453)
2414572-47-5

>  <URL> (453)
http://www.selleckchem.com/products/bdtx-189.html

$$$$

csChFnd80/01162513232D

 36 37  0  0  0  0  0  0  0  0999 V2000
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    8.4746    6.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4746    7.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    5.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7182    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9947    7.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    3.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    6.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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   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
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  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> (454)
5821

>  <Formula> (454)
C24H27Cl3FN5O3

>  <MolWeight> (454)
558.8602832

>  <Cat> (454)
S0711

>  <Name> (454)
Canertinib dihydrochloride

>  <Synonyms> (454)
CI-1033 dihydrochloride, PD-183805 dihydrochloride

>  <Target> (454)
EGFR

>  <Form> (454)
Dihydrochloride

>  <CAS> (454)
289499-45-2

>  <URL> (454)
http://www.selleckchem.com/products/canertinib-dihydrochloride.html

$$$$

csChFnd80/01162513232D

 26 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.5124    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    4.5249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5499    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    2.8001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    5.2249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    3.8249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9749    3.5001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5748    5.9249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1873    4.2001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7873    6.6249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    6.8126    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3997    4.9001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9997    7.3250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 19  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 26  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (455)
5840

>  <Formula> (455)
C8BrF17

>  <MolWeight> (455)
498.9624544

>  <Cat> (455)
S3501

>  <Name> (455)
Perflubron

>  <Synonyms> (455)
1-Bromoperfluorooctane, Perfluorooctyl bromide, Oxygent, PFOB

>  <Target> (455)
Immunology & Inflammation related

>  <Form> (455)
Free Base

>  <CAS> (455)
423-55-2

>  <URL> (455)
http://www.selleckchem.com/products/perflubron.html

$$$$

csChFnd80/01162513232D

 44 48  0  0  0  0  0  0  0  0999 V2000
    6.0621    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    9.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4868    8.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0996    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1239    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5488    6.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5489    4.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3362    4.1997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    4.8997    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9117    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.8997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.7997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.8997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6992    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5489    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  4  5  2  0  0  0  0
  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
  7 10  1  0  0  0  0
  1  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  4 11  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 16 18  1  0  0  0  0
 10 16  1  0  0  0  0
 23 24  1  6  0  0  0
 25 26  2  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
 25 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 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
 37 38  2  0  0  0  0
 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> (456)
5846

>  <Formula> (456)
C32H28F3N5O4

>  <MolWeight> (456)
603.5910296

>  <Cat> (456)
S8682

>  <Name> (456)
AMG 487

>  <Synonyms> (456)
N/A

>  <Target> (456)
CXCR

>  <Form> (456)
Free Base

>  <CAS> (456)
473719-41-4

>  <URL> (456)
http://www.selleckchem.com/products/amg-487.html

$$$$

csChFnd80/01162513232D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.8092    7.4556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9130    6.3968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8650    8.3369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4210    7.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8430    5.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5503    5.6968    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5503    4.2968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3379    3.5969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1254    4.2968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8750    6.1234    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3379    6.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1254    5.6968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8750    3.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514    3.5873    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6920    4.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3603    2.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1031    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5503    7.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2152    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6990    6.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8330    7.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3379    4.9969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1146    2.8969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    2.9095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  6  0  0  0
 13  2  1  1  0  0  0
  3 21  2  0  0  0  0
  4 26  1  0  0  0  0
  4 29  1  0  0  0  0
  5 28  2  0  0  0  0
  6 29  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 19  1  1  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 22  1  1  0  0  0
 15 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 18 24  1  6  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 23 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
  9 31  1  1  0  0  0
 10 32  1  6  0  0  0
  8 33  1  6  0  0  0
M  END
>  <Mol_ID> (457)
5857

>  <Formula> (457)
C24H32O6

>  <MolWeight> (457)
416.50728

>  <Cat> (457)
S5973

>  <Name> (457)
Methylprednisolone Acetate

>  <Synonyms> (457)
NSC-19987 acetate, Medrol acetate

>  <Target> (457)
ACE,Apoptosis related,Autophagy,Glucocorticoid Receptor,Immunology & Inflammation related,Interleukins

>  <Form> (457)
Free Base

>  <CAS> (457)
53-36-1

>  <URL> (457)
http://www.selleckchem.com/products/methylprednisolone-acetate.html

$$$$

csChFnd80/01162513232D

 19 22  0  0  0  0  0  0  0  0999 V2000
    6.8894    4.1699    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2815    4.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8533    3.0408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8146    2.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6009    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8172    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6060    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3922    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3897    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0616    0.2628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0575    2.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2367    1.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8367    1.3925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6224    3.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2887    5.2761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6806    5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2524    4.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    3.2084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  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
  5  9  2  0  0  0  0
  4  6  2  0  0  0  0
 11 12  1  0  0  0  0
 10 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 14 18  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (458)
5872

>  <Formula> (458)
C13H8N4OS

>  <MolWeight> (458)
268.29382

>  <Cat> (458)
S9668

>  <Name> (458)
PKR-IN-C16

>  <Synonyms> (458)
imoxin, C16, Imidazolo-oxindole PKR inhibitor C16

>  <Target> (458)
Apoptosis related,eIF,Interleukins,PKR

>  <Form> (458)
Free Base

>  <CAS> (458)
608512-97-6

>  <URL> (458)
http://www.selleckchem.com/products/pkr-in-c16.html

$$$$

csChFnd80/01162513232D

 63 62  0  0  0  0  0  0  0  0999 V2000
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   18.1869   10.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8244   11.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620   14.7003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3994    8.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6742   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8866   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4616   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0368   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9745    8.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5240   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7365   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 55  1  0  0  0  0
  1 58  1  0  0  0  0
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 10 13  1  0  0  0  0
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 16 34  1  0  0  0  0
 17 19  1  0  0  0  0
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 18 20  1  0  0  0  0
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 29 41  1  0  0  0  0
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 31 43  1  0  0  0  0
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 33 45  1  0  0  0  0
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 35 51  1  0  0  0  0
 36 52  1  0  0  0  0
 37 47  1  0  0  0  0
 38 48  1  0  0  0  0
 39 49  1  0  0  0  0
 40 50  1  0  0  0  0
 41 53  1  0  0  0  0
 42 54  1  0  0  0  0
 43 58  1  0  0  0  0
 44 59  1  0  0  0  0
 45 60  1  0  0  0  0
 46 47  2  0  0  0  0
 48 61  1  0  0  0  0
 49 62  1  0  0  0  0
 50 63  1  0  0  0  0
 51 53  2  0  0  0  0
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 55 56  1  0  0  0  0
 55 57  1  0  0  0  0
M  END
>  <Mol_ID> (459)
5906

>  <Formula> (459)
C57H104O6

>  <MolWeight> (459)
885.43206

>  <Cat> (459)
S3590

>  <Name> (459)
Triolein

>  <Synonyms> (459)
N/A

>  <Target> (459)
Interleukins,MMP,ROS

>  <Form> (459)
Free Base

>  <CAS> (459)
122-32-7

>  <URL> (459)
http://www.selleckchem.com/products/triolein.html

$$$$

csChFnd80/01162513232D

 31 35  0  0  0  0  0  0  0  0999 V2000
    5.1544    4.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1544    3.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3668    2.6867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792    3.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792    4.7867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3668    5.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9107    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7336    4.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9107    5.2193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9419    2.6867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3433    1.6226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7127    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1454    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6495    2.3719    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
  6  1  2  0  0  0  0
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 22 10  1  0  0  0  0
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 23 24  2  0  0  0  0
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M  END
>  <Mol_ID> (460)
5907

>  <Formula> (460)
C21H22F2N6O2

>  <MolWeight> (460)
428.4351864

>  <Cat> (460)
S5860

>  <Name> (460)
Larotrectinib

>  <Synonyms> (460)
Vitrakvi, LOXO-101, ARRY-470

>  <Target> (460)
Trk receptor

>  <Form> (460)
Free Base

>  <CAS> (460)
1223403-58-4

>  <URL> (460)
http://www.selleckchem.com/products/larotrectinib.html

$$$$

csChFnd80/01162513232D

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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 15 18  2  0  0  0  0
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 17 20  2  0  0  0  0
 19 23  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (461)
5924

>  <Formula> (461)
C16H16N6O

>  <MolWeight> (461)
308.33784

>  <Cat> (461)
S3515

>  <Name> (461)
Benpyrine racemate

>  <Synonyms> (461)
(Rac)-Benpyrine

>  <Target> (461)
TNF-alpha

>  <Form> (461)
Free Base

>  <CAS> (461)
1333714-43-4

>  <URL> (461)
http://www.selleckchem.com/products/benpyrine-racemate.html

$$$$

csChFnd80/01162513232D

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    9.6995   11.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    0.0133   12.5627    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 38  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
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 25 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  0  0  0  0
 28 31  1  0  0  0  0
 28 34  2  0  0  0  0
 31 36  2  0  0  0  0
 34 37  1  0  0  0  0
 35 38  1  0  0  0  0
 36 39  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (462)
5936

>  <Formula> (462)
C28H38Cl3N5O3S

>  <MolWeight> (462)
631.05702

>  <Cat> (462)
S4967

>  <Name> (462)
Ceritinib dihydrochloride

>  <Synonyms> (462)
Zykadia, LDK378 dihydrochloride

>  <Target> (462)
ALK,IGF-1R,Serine/threonin kinase

>  <Form> (462)
Dihydrochloride

>  <CAS> (462)
1380575-43-8

>  <URL> (462)
http://www.selleckchem.com/products/ceritinib-dihydrochloride.html

$$$$

csChFnd80/01162513232D

 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
    0.8229    3.5867    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
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  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
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 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
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 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> (463)
5938

>  <Formula> (463)
C21H23Cl3FN5O

>  <MolWeight> (463)
486.7976232

>  <Cat> (463)
S5190

>  <Name> (463)
Crizotinib hydrochloride

>  <Synonyms> (463)
Xalkori, PF-02341066 hydrochloride

>  <Target> (463)
ALK,Autophagy,c-Met,ROS1

>  <Form> (463)
Hydrochloride

>  <CAS> (463)
1415560-69-8

>  <URL> (463)
http://www.selleckchem.com/products/crizotinib-hydrochloride.html

$$$$

csChFnd80/01162513232D

 32 36  0  0  0  0  0  0  0  0999 V2000
   11.4872    4.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2455    2.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7872    3.6372    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
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 10 15  1  0  0  0  0
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 17 25  2  0  0  0  0
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 19 21  2  0  0  0  0
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 22 24  2  0  0  0  0
 25 30  1  0  0  0  0
 26 31  2  0  0  0  0
M  END
>  <Mol_ID> (464)
5949

>  <Formula> (464)
C26H25N5O

>  <MolWeight> (464)
423.5096

>  <Cat> (464)
S3231

>  <Name> (464)
UCB-9260

>  <Synonyms> (464)
N/A

>  <Target> (464)
NF-¦ÊB,TNF-alpha

>  <Form> (464)
Free Base

>  <CAS> (464)
1515888-53-5

>  <URL> (464)
http://www.selleckchem.com/products/ucb-9260.html

$$$$

csChFnd80/01162513232D

 26 31  0  0  0  0  0  0  0  0999 V2000
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   15.4465    1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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> (465)
5988

>  <Formula> (465)
C21H27NO4

>  <MolWeight> (465)
357.44338

>  <Cat> (465)
S3479

>  <Name> (465)
R243

>  <Synonyms> (465)
N/A

>  <Target> (465)
CCR

>  <Form> (465)
Free Base

>  <CAS> (465)
688352-84-3

>  <URL> (465)
http://www.selleckchem.com/products/r243.html

$$$$

csChFnd80/01162513232D

 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
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   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
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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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  2 22  1  0  0  0  0
  3 24  1  0  0  0  0
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  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
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 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
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 20 21  1  0  0  0  0
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 22 25  1  0  0  0  0
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M  END
>  <Mol_ID> (466)
5996

>  <Formula> (466)
C17H15N3O6

>  <MolWeight> (466)
357.3175

>  <Cat> (466)
S4842

>  <Name> (466)
Balsalazide

>  <Synonyms> (466)
Colazal, Giazo

>  <Target> (466)
Immunology & Inflammation related,Interleukins,STAT

>  <Form> (466)
Free Base

>  <CAS> (466)
80573-04-2

>  <URL> (466)
http://www.selleckchem.com/products/balsalazide.html

$$$$

csChFnd80/01162513232D

 34 35  0  0  0  0  0  0  0  0999 V2000
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   13.3146    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    8.2653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    6.8653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0248    6.8653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.4650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9743    6.8645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4 27  1  0  0  0  0
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 12 32  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 20  2  0  0  0  0
 15 27  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  2  0  0  0  0
 20 25  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 28 29  2  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (467)
5997

>  <Formula> (467)
C21H16Cl2F4N4O3

>  <MolWeight> (467)
519.2763528

>  <Cat> (467)
S4947

>  <Name> (467)
Regorafenib Hydrochloride

>  <Synonyms> (467)
Stivarga, BAY 73-4506 hydrochloride

>  <Target> (467)
c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (467)
Hydrochloride

>  <CAS> (467)
835621-07-3

>  <URL> (467)
http://www.selleckchem.com/products/regorafenib-hydrochloride.html

$$$$

csChFnd80/01162513232D

 31 33  0  0  0  0  0  0  0  0999 V2000
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   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  2  0  0  0  0
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 22 23  1  0  0  0  0
 24 29  2  0  0  0  0
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 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (468)
6005

>  <Formula> (468)
C27H31NO3

>  <MolWeight> (468)
417.53994

>  <Cat> (468)
S3449

>  <Name> (468)
GSK5182

>  <Synonyms> (468)
N/A

>  <Target> (468)
Estrogen/progestogen Receptor

>  <Form> (468)
Free Base

>  <CAS> (468)
877387-37-6

>  <URL> (468)
http://www.selleckchem.com/products/gsk5182.html

$$$$

csChFnd80/01162513232D

 36 41  0  0  0  0  0  0  0  0999 V2000
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N/A

>  <Target> (469)
FLT3,IRAK

>  <Form> (469)
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>  <CAS> (469)
1801344-14-8

>  <URL> (469)
http://www.selleckchem.com/products/ca-4948.html

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>  <Synonyms> (470)
Atractydin

>  <Target> (470)
Interleukins

>  <Form> (470)
Free Base

>  <CAS> (470)
55290-63-6

>  <URL> (470)
http://www.selleckchem.com/products/atractylodin.html

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>  <Formula> (471)
C16H24N2O4

>  <MolWeight> (471)
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>  <Cat> (471)
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>  <Name> (471)
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>  <Synonyms> (471)
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>  <Target> (471)
CXCR

>  <Form> (471)
Free Base

>  <CAS> (471)
6616-56-4

>  <URL> (471)
http://www.selleckchem.com/products/msx-127.html

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>  <Formula> (472)
C30H32F2O2

>  <MolWeight> (472)
462.5706864

>  <Cat> (472)
S0472

>  <Name> (472)
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>  <Synonyms> (472)
N/A

>  <Target> (472)
Interleukins

>  <Form> (472)
Free Base

>  <CAS> (472)
2016795-77-8

>  <URL> (472)
http://www.selleckchem.com/products/ec330.html

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>  <Formula> (473)
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>  <Cat> (473)
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>  <Name> (473)
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>  <Synonyms> (473)
N/A

>  <Target> (473)
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>  <Form> (473)
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>  <CAS> (473)
2086257-77-2

>  <URL> (473)
http://www.selleckchem.com/products/vbit-4.html

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  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (474)
6112

>  <Formula> (474)
C12H22ClN3OS

>  <MolWeight> (474)
291.84058

>  <Cat> (474)
S6078

>  <Name> (474)
ICCB-19 hydrochloride

>  <Synonyms> (474)
N/A

>  <Target> (474)
Autophagy,RIP kinase

>  <Form> (474)
Hydrochloride

>  <CAS> (474)
1803605-68-6

>  <URL> (474)
http://www.selleckchem.com/products/iccb-19-hydrochloride.html

$$$$

csChFnd80/01162513232D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.5168    5.6878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9637    6.3939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7582    8.8549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5095    9.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    3.9267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9313    7.3370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    1.6733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3637    6.3914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1846    5.2574    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1885    7.5227    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5192    7.0878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6534    7.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    2.8001    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
    9.0655    8.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3434    7.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
 11  2  1  6  0  0  0
 13  3  1  6  0  0  0
  4 15  2  0  0  0  0
 12  5  1  1  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 15  1  0  0  0  0
  6 19  1  0  0  0  0
  7 17  2  0  0  0  0
  7 18  1  0  0  0  0
  8 16  2  0  0  0  0
  8 21  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 16 18  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (475)
6120

>  <Formula> (475)
C12H16N6O4

>  <MolWeight> (475)
308.29324

>  <Cat> (475)
S6347

>  <Name> (475)
5'-N-Ethylcarboxamidoadenosine (NECA)

>  <Synonyms> (475)
5'-(N-Ethylcarboxamido)adenosine, Adenosine-5'N-ethylcarboxamide, 5'-Ethylcarboxamidoadenosine

>  <Target> (475)
Adenosine Receptor,CD markers,Interleukins,JNK,p38 MAPK,TNF-alpha

>  <Form> (475)
Free Base

>  <CAS> (475)
35920-39-9

>  <URL> (475)
http://www.selleckchem.com/products/5-n-ethylcarboxamidoadenosine.html

$$$$

csChFnd80/01162513232D

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.4932    4.8087    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9449   14.7486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3449   13.3486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5449   13.3486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    2.1486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    0.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    5.6486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.5201    4.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    4.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    2.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    7.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    7.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    2.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    9.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.1573   11.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (476)
6145

>  <Formula> (476)
C21H22ClF3N2O2

>  <MolWeight> (476)
426.8597896

>  <Cat> (476)
S7538

>  <Name> (476)
RS-102895 Hydrochloride

>  <Synonyms> (476)
RS-102895 HCl

>  <Target> (476)
5-HT Receptor,Adrenergic Receptor,CCR

>  <Form> (476)
Hydrochloride

>  <CAS> (476)
1173022-16-6

>  <URL> (476)
http://www.selleckchem.com/products/rs-102895-hydrochloride.html

$$$$

csChFnd80/01162513232D

 34 37  0  0  0  0  0  0  0  0999 V2000
   12.1373    3.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4160    4.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4268    5.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2120    6.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0019    5.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0066    4.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2074    7.8156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9926    8.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7825    7.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7592    6.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1373    2.2144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0407    3.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510    5.7427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3378    6.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3152    7.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1595    8.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9406    7.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9275    6.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1334    5.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1726    9.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   10.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478   10.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6645    8.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.8012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.7084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9419    4.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4200    3.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5650    2.2680    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.6242    3.5795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8324    4.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3314    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9684    0.0000    0.0000 Cl  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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 16 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 17  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 12 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 12  1  0  0  0  0
 12 30  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 12  1  0  0  0  0
 11 33  1  0  0  0  0
M  END
>  <Mol_ID> (477)
6146

>  <Formula> (477)
C26H26ClN3O4

>  <MolWeight> (477)
479.95534

>  <Cat> (477)
S7647

>  <Name> (477)
Lucitanib (E3810) hydrochloride

>  <Synonyms> (477)
AL3810

>  <Target> (477)
FGFR,VEGFR

>  <Form> (477)
Hydrochloride

>  <CAS> (477)
1058137-23-7

>  <URL> (477)
http://www.selleckchem.com/products/lucitanib.html

$$$$

csChFnd80/01162513232D

 37 39  0  0  0  0  0  0  0  0999 V2000
    7.1783    4.3615    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2210    2.9887    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5080    4.7905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9556    5.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    5.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0199    2.2452    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5725    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3590    3.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8932    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7091    5.5127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8044    4.3186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8261    2.9244    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0199    0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7011    7.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5204    6.1703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5604    4.9549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6249    2.1809    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8689    0.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1435    8.4797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6676    0.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095    2.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6033    3.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9014    9.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4523    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1868    2.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3366   10.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3025    9.5235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1444   12.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5296   13.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3590   14.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1353   13.4344    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2640    1.7375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9770    3.6822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8473    1.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8557   12.2761    0.0000 Na  0  3  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  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 34  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  6  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 35  1  1  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  1  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 36  1  6  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  1  0  0  0
 18 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (478)
6193

>  <Formula> (478)
C25H33NaO8

>  <MolWeight> (478)
484.51449

>  <Cat> (478)
E0177

>  <Name> (478)
Hydrocortisone sodium succinate

>  <Synonyms> (478)
Hydrocortisone 21-hemisuccinate sodium salt

>  <Target> (478)
Glucocorticoid Receptor,Interleukins

>  <Form> (478)
Sodium succinate

>  <CAS> (478)
125-04-2

>  <URL> (478)
http://www.selleckchem.com/products/hydrocortisone-sodium-succinate.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (479)
6199

>  <Formula> (479)
C25H33Cl4N3O5

>  <MolWeight> (479)
597.35862

>  <Cat> (479)
E0314

>  <Name> (479)
JTE-607 Dihydrochloride

>  <Synonyms> (479)
N/A

>  <Target> (479)
Interleukins,TNF-alpha

>  <Form> (479)
Dihydrochloride

>  <CAS> (479)
188791-09-5

>  <URL> (479)
http://www.selleckchem.com/products/jte-607-dihydrochloride.html

$$$$

csChFnd80/01162513232D

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    7.2746    6.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    8.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.7659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (480)
6206

>  <Formula> (480)
C29H35ClFN7O3

>  <MolWeight> (480)
584.0847032

>  <Cat> (480)
E0368

>  <Name> (480)
Sunvozertinib

>  <Synonyms> (480)
DZD9008

>  <Target> (480)
EGFR

>  <Form> (480)
Free Base

>  <CAS> (480)
2370013-49-1

>  <URL> (480)
http://www.selleckchem.com/products/dzd9008.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (481)
6240

>  <Formula> (481)
C21H21F3N2O2

>  <MolWeight> (481)
390.3988496

>  <Cat> (481)
S3383

>  <Name> (481)
RS102895

>  <Synonyms> (481)
N/A

>  <Target> (481)
CCR

>  <Form> (481)
Free Base

>  <CAS> (481)
300815-41-2

>  <URL> (481)
http://www.selleckchem.com/products/rs102895.html

$$$$

csChFnd80/01162513232D

 37 40  0  0  0  0  0  0  0  0999 V2000
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6257

>  <Formula> (482)
C27H23FN4O4S

>  <MolWeight> (482)
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>  <Cat> (482)
S6764

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N/A

>  <Target> (482)
c-Met,VEGFR

>  <Form> (482)
Free Base

>  <CAS> (482)
1190836-34-0

>  <URL> (482)
http://www.selleckchem.com/products/tas-115.html

$$$$

csChFnd80/01162513232D

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6265

>  <Formula> (483)
C21H24ClFN4O3

>  <MolWeight> (483)
434.8916632

>  <Cat> (483)
S7604

>  <Name> (483)
BX471

>  <Synonyms> (483)
ZK811752, BAY 865047, SH T 04268H

>  <Target> (483)
CCR

>  <Form> (483)
Free Base

>  <CAS> (483)
217645-70-0

>  <URL> (483)
http://www.selleckchem.com/products/bx471.html

$$$$

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>  <Mol_ID> (484)
6267

>  <Formula> (484)
C29H31F3N6O3

>  <MolWeight> (484)
568.5900496

>  <Cat> (484)
S8361

>  <Name> (484)
PF-4136309

>  <Synonyms> (484)
INCB8761, PF-04136309

>  <Target> (484)
CCR

>  <Form> (484)
Free Base

>  <CAS> (484)
857679-55-1

>  <URL> (484)
http://www.selleckchem.com/products/pf-4136309.html

$$$$

csChFnd80/01162513232D

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>  <Mol_ID> (485)
6299

>  <Formula> (485)
C27H27N5O3

>  <MolWeight> (485)
469.53498

>  <Cat> (485)
E0050

>  <Name> (485)
Seralutinib (GB002)

>  <Synonyms> (485)
PK10571

>  <Target> (485)
PDGFR

>  <Form> (485)
Free Base

>  <CAS> (485)
1619931-27-9

>  <URL> (485)
http://www.selleckchem.com/products/seralutinib-pk10571.html

$$$$

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    6.0573    0.0000    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
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (486)
6306

>  <Formula> (486)
C12H10FNO

>  <MolWeight> (486)
203.2123032

>  <Cat> (486)
E0084

>  <Name> (486)
Fluorofenidone

>  <Synonyms> (486)
AKF-PD

>  <Target> (486)
NADPH-oxidase

>  <Form> (486)
Free Base

>  <CAS> (486)
848353-85-5

>  <URL> (486)
http://www.selleckchem.com/products/fluorofenidone.html

$$$$

csChFnd80/01162513232D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16  2  1  1  0  0  0
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 14  5  1  6  0  0  0
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 10 24  2  0  0  0  0
 11 32  1  0  0  0  0
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 15 17  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (487)
6317

>  <Formula> (487)
C21H18O11

>  <MolWeight> (487)
446.36102

>  <Cat> (487)
E0130

>  <Name> (487)
Apigenin-7-O-glucuronide

>  <Synonyms> (487)
Apigenin-7-glucuronide

>  <Target> (487)
TNF-alpha

>  <Form> (487)
Free Base

>  <CAS> (487)
29741-09-1

>  <URL> (487)
http://www.selleckchem.com/products/apigenin-7-o-glucuronide.html

$$$$

csChFnd80/01162513232D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
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 17 20  1  0  0  0  0
 18 20  2  0  0  0  0
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 29 31  2  0  0  0  0
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M  END
>  <Mol_ID> (488)
6338

>  <Formula> (488)
C25H27N3O3

>  <MolWeight> (488)
417.50018

>  <Cat> (488)
S9738

>  <Name> (488)
RS504393

>  <Target> (488)
CCR

>  <Form> (488)
free base

>  <CAS> (488)
300816-15-3

>  <URL> (488)
http://www.selleckchem.com/products/rs504393.html

$$$$

csChFnd80/01162513232D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (489)
6343

>  <Formula> (489)
C29H33ClN6

>  <MolWeight> (489)
501.06552

>  <Cat> (489)
S9892

>  <Name> (489)
HM43239

>  <Synonyms> (489)
N/A

>  <Target> (489)
FLT3

>  <Form> (489)
free base

>  <CAS> (489)
2569527-64-4

>  <URL> (489)
http://www.selleckchem.com/products/hm43239.html

$$$$

csChFnd80/01162513232D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (490)
6399

>  <Formula> (490)
C13H9NOS

>  <MolWeight> (490)
227.28166

>  <Cat> (490)
S0291

>  <Name> (490)
SU5208

>  <Synonyms> (490)
3-[(Thien-2-yl)methylene]-2-indolinone

>  <Target> (490)
VEGFR

>  <Form> (490)
free base

>  <CAS> (490)
62540-08-3

>  <URL> (490)
http://www.selleckchem.com/products/su5208.html

$$$$

csChFnd80/01162513232D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.1785    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4785    2.2264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    7.0355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6355    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4015    4.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5785    3.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    4.1388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4015    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1104    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7733    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1507    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4822    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    5.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    7.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    8.1682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  3 16  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  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
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (491)
6419

>  <Formula> (491)
C16H10FN3O2

>  <MolWeight> (491)
295.2679032

>  <Cat> (491)
S0550

>  <Name> (491)
5'-Fluoroindirubinoxime

>  <Synonyms> (491)
5'-FIO, compound 13

>  <Target> (491)
FLT3

>  <Form> (491)
free base

>  <CAS> (491)
861214-33-7

>  <URL> (491)
http://www.selleckchem.com/products/5-fluoroindirubinoxime.html

$$$$

csChFnd80/01162513232D

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.6997    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    4.9003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    2.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  8  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 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
  9 18  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
>  <Mol_ID> (492)
6429

>  <Formula> (492)
C16H14N2O2

>  <MolWeight> (492)
266.29456

>  <Cat> (492)
S0763

>  <Name> (492)
Tyrphostin AG1433

>  <Synonyms> (492)
SU1433, AG1433

>  <Target> (492)
PDGFR,VEGFR

>  <Form> (492)
free base

>  <CAS> (492)
168835-90-3

>  <URL> (492)
http://www.selleckchem.com/products/tyrphostin-ag1433.html

$$$$

csChFnd80/01162513232D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    7.2744    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5533    2.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4900    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8823    3.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  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
  6  8  1  0  0  0  0
  3  6  1  0  0  0  0
  5  9  1  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 15  1  0  0  0  0
 10 15  2  0  0  0  0
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 11 17  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (493)
6475

>  <Formula> (493)
C11H8Cl2N2O2

>  <MolWeight> (493)
271.09942

>  <Cat> (493)
S3540

>  <Name> (493)
UTL-5g

>  <Synonyms> (493)
GBL-5g

>  <Target> (493)
TNF-alpha

>  <Form> (493)
free base

>  <CAS> (493)
646530-37-2

>  <URL> (493)
http://www.selleckchem.com/products/utl-5g.html

$$$$

csChFnd80/01162513232D

 35 38  0  0  0  0  0  0  0  0999 V2000
    8.4868    5.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    5.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    6.7351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3399    4.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4030    5.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8357    6.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2050    6.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1418    5.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7091    4.4553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6399    2.9518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    4.6351    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
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 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
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 11 20  1  0  0  0  0
  3 12  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
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
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 25 30  2  0  0  0  0
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A   35
(E)
M  END
>  <Mol_ID> (494)
6478

>  <Formula> (494)
C28H27N3O3R

>  <MolWeight> (494)
453.53228

>  <Cat> (494)
S3552

>  <Name> (494)
SIS3

>  <Synonyms> (494)
N/A

>  <Target> (494)
TGF-beta/Smad

>  <Form> (494)
free base

>  <CAS> (494)
1009104-85-1

>  <URL> (494)
http://www.selleckchem.com/products/sis3.html

$$$$

csChFnd80/01162513232D

 48 52  0  0  0  0  0  0  0  0999 V2000
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M  END
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6504

>  <Formula> (495)
C34H36Cl2N8O4

>  <MolWeight> (495)
691.60684

>  <Cat> (495)
S7715

>  <Name> (495)
FIIN-3

>  <Target> (495)
FGFR

>  <Form> (495)
free base

>  <CAS> (495)
1637735-84-2

>  <URL> (495)
http://www.selleckchem.com/products/fiin-3.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (496)
6507

>  <Formula> (496)
C25H20F3N5O2

>  <MolWeight> (496)
479.4538096

>  <Cat> (496)
E0340

>  <Name> (496)
CSF1R-IN-1

>  <Synonyms> (496)
N/A

>  <Target> (496)
CSF-1R

>  <Form> (496)
free base

>  <CAS> (496)
2095849-04-8

>  <URL> (496)
http://www.selleckchem.com/products/csf1r-in-1.html

$$$$

csChFnd80/01162513232D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (497)
6523

>  <Formula> (497)
C22H21ClN2O4S

>  <MolWeight> (497)
444.93114

>  <Cat> (497)
E0395

>  <Name> (497)
Vercirnon

>  <Synonyms> (497)
GSK-1605786, CCX-282, Traficet-EN

>  <Target> (497)
CCR

>  <Form> (497)
free base

>  <CAS> (497)
698394-73-9

>  <URL> (497)
http://www.selleckchem.com/products/vercirnon.html

$$$$

csChFnd80/01162513232D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
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 23 32  1  0  0  0  0
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M  END
>  <Mol_ID> (498)
6549

>  <Formula> (498)
C27H41N5O2

>  <MolWeight> (498)
467.64674

>  <Cat> (498)
E0486

>  <Name> (498)
C-021

>  <Target> (498)
CCR

>  <Form> (498)
free base

>  <CAS> (498)
864289-85-0

>  <URL> (498)
http://www.selleckchem.com/products/c-021.html

$$$$

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M  END
>  <Mol_ID> (499)
6563

>  <Formula> (499)
C14H10N4O3

>  <MolWeight> (499)
282.2542

>  <Cat> (499)
E0533

>  <Name> (499)
IRAK-4 protein kinase inhibitor 2

>  <Target> (499)
IRAK

>  <Form> (499)
free base

>  <CAS> (499)
301675-24-1

>  <URL> (499)
http://www.selleckchem.com/products/irak-4-protein-kinase-inhibitor-2.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (500)
6564

>  <Formula> (500)
C15H11BrN2O

>  <MolWeight> (500)
315.16464

>  <Cat> (500)
E0534

>  <Name> (500)
WAY-340935

>  <Synonyms> (500)
VEGFR2-IN-2

>  <Target> (500)
VEGFR

>  <Form> (500)
free base

>  <CAS> (500)
737818-56-3

>  <URL> (500)
http://www.selleckchem.com/products/way-340935.html

$$$$

csChFnd80/01162513232D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (501)
6609

>  <Formula> (501)
C12H11N3O4S

>  <MolWeight> (501)
293.29844

>  <Cat> (501)
E0794

>  <Name> (501)
MID-1

>  <Target> (501)
IGF-1R

>  <Form> (501)
free base

>  <CAS> (501)
312608-54-1

>  <URL> (501)
http://www.selleckchem.com/products/mid-1.html

$$$$

csChFnd80/01162513232D

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A   42
.
M  END
>  <Mol_ID> (502)
6618

>  <Formula> (502)
C29H34N6O4RS2

>  <MolWeight> (502)
594.74806

>  <Cat> (502)
E0814

>  <Name> (502)
Masitinib mesylate

>  <Synonyms> (502)
AB-1010 mesylate

>  <Target> (502)
c-Kit,FAK,FGFR,PDGFR,Src

>  <Form> (502)
Mesylate

>  <CAS> (502)
1048007-93-7

>  <URL> (502)
https://www.selleckchem.com/products/masitinib-mesylate.html

$$$$

csChFnd80/01162513232D

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>  <Mol_ID> (503)
6622

>  <Formula> (503)
C24H18ClFN4O2

>  <MolWeight> (503)
448.8767232

>  <Cat> (503)
E0822

>  <Name> (503)
AST-1306

>  <Synonyms> (503)
Allitinib

>  <Target> (503)
EGFR

>  <Form> (503)
free base

>  <CAS> (503)
897383-62-9

>  <URL> (503)
http://www.selleckchem.com/products/ast-1306.html

$$$$

csChFnd80/01162513232D

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 29 30  1  0  0  0  0
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free base

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847949-49-9

>  <URL> (504)
http://www.selleckchem.com/products/o-demethyl-gefitinib.html

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csChFnd80/01162513232D

 25 26  0  0  0  0  0  0  0  0999 V2000
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6636

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C15H8BrF6NO2

>  <MolWeight> (505)
428.1239392

>  <Cat> (505)
E0944

>  <Name> (505)
IMD-0560

>  <Target> (505)
I¦ÊB/IKK

>  <Form> (505)
free base

>  <CAS> (505)
439144-66-8

>  <URL> (505)
http://www.selleckchem.com/products/imd-0560.html

$$$$

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6642

>  <Formula> (506)
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>  <MolWeight> (506)
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>  <Cat> (506)
E0958

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>  <Target> (506)
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>  <Form> (506)
free base

>  <CAS> (506)
2254805-62-2

>  <URL> (506)
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csChFnd80/01162513232D

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6677

>  <Formula> (507)
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>  <MolWeight> (507)
311.41646

>  <Cat> (507)
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free base

>  <CAS> (507)
1239600-18-0

>  <URL> (507)
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  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 13 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
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (508)
6718

>  <Formula> (508)
C15H13N3O6

>  <MolWeight> (508)
331.28022

>  <Cat> (508)
E2390

>  <Name> (508)
Thalidomide-5-NH2-CH2-COOH

>  <Target> (508)
Trk receptor

>  <Form> (508)
free base

>  <CAS> (508)
2412056-27-8

>  <URL> (508)
http://www.selleckchem.com/products/thalidomide-5-nh2-ch2-cooh.html

$$$$

csChFnd80/01162513232D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    5.0982    1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 12  2  0  0  0  0
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  6  4  1  0  0  0  0
  5 13  1  0  0  0  0
 14 15  1  0  0  0  0
 10 14  1  0  0  0  0
 16 17  1  0  0  0  0
  9 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 20 24  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (509)
6720

>  <Formula> (509)
C18H16FN3O2

>  <MolWeight> (509)
325.3369432

>  <Cat> (509)
E2393

>  <Name> (509)
JNJ-10198409

>  <Target> (509)
PDGFR

>  <Form> (509)
free base

>  <CAS> (509)
627518-40-5

>  <URL> (509)
http://www.selleckchem.com/products/jnj-10198409.html

$$$$
>  <Mol_ID> (510)
6739

>  <Cat> (510)
E2548

>  <Name> (510)
N-(p-Coumaroyl) Serotonin

>  <Synonyms> (510)
p-coumaroylserotonin

>  <Target> (510)
PDGFR

>  <Form> (510)
free base

>  <CAS> (510)
68573-24-0

>  <URL> (510)
http://www.selleckchem.com/products/n--p-coumaroyl--serotonin.html

$$$$

csChFnd80/01162513232D

 28 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  8  9  2  0  0  0  0
  7  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  5 10  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
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 11 16  1  0  0  0  0
  8 13  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
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 17 22  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 20 23  1  6  0  0  0
 17 10  1  1  0  0  0
M  END
>  <Mol_ID> (511)
6752

>  <Formula> (511)
C21H31N5O2

>  <MolWeight> (511)
385.50314

>  <Cat> (511)
E2647

>  <Name> (511)
AZ1495

>  <Target> (511)
IRAK

>  <Form> (511)
free base

>  <CAS> (511)
2196204-23-4

>  <URL> (511)
http://www.selleckchem.com/products/az1495.html

$$$$

csChFnd80/01162513232D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 13 19  2  0  0  0  0
M  END
>  <Mol_ID> (512)
6759

>  <Formula> (512)
C15H11NO3

>  <MolWeight> (512)
253.25274

>  <Cat> (512)
E2664

>  <Name> (512)
Cridanimod

>  <Target> (512)
STING

>  <Form> (512)
free base

>  <CAS> (512)
38609-97-1

>  <URL> (512)
http://www.selleckchem.com/products/cridanimod.html

$$$$

csChFnd80/01162513232D

 32 31  0  0  0  0  0  0  0  0999 V2000
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  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
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  8 12  1  0  0  0  0
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 10 15  1  1  0  0  0
 10 16  1  0  0  0  0
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 18 25  1  0  0  0  0
 21 26  1  0  0  0  0
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 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (513)
6802

>  <Formula> (513)
C21H42N6O5

>  <MolWeight> (513)
458.59538

>  <Cat> (513)
P1164

>  <Name> (513)
LSKL, Inhibitor of Thrombospondin (TSP-1)

>  <Target> (513)
TGF-beta/Smad

>  <Form> (513)
free base

>  <CAS> (513)
283609-79-0

>  <URL> (513)
http://www.selleckchem.com/products/lskl--Inhibitor-of-thrombospondin--tsp-1--tfa-.html

$$$$
>  <Mol_ID> (514)
6805

>  <Cat> (514)
P1167

>  <Name> (514)
pm26TGF-¦Â1 peptide (TFA)

>  <Target> (514)
TGF-beta/Smad

>  <Form> (514)
free base

>  <URL> (514)
http://www.selleckchem.com/products/pm26tgf-beta1-peptide--tfa-.html

$$$$

csChFnd80/01162513232D

109110  0  0  0  0  0  0  0  0999 V2000
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   11.1793   14.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (515)
6808

>  <Formula> (515)
C68H109N17O22S2

>  <MolWeight> (515)
1580.82376

>  <Cat> (515)
P1218

>  <Name> (515)
Disitertide(P144)

>  <Target> (515)
PI3K,TGF-beta/Smad

>  <Form> (515)
free base

>  <CAS> (515)
272105-42-7

>  <URL> (515)
http://www.selleckchem.com/products/disitertide.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (516)
6843

>  <Formula> (516)
C26H27FN10

>  <MolWeight> (516)
498.5579832

>  <Cat> (516)
S8553

>  <Name> (516)
Avapritinib (BLU-285)

>  <Synonyms> (516)
N/A

>  <Target> (516)
c-Kit,PDGFR

>  <Form> (516)
free base

>  <CAS> (516)
1703793-34-3

>  <URL> (516)
http://www.selleckchem.com/products/blu-285.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (517)
6870

>  <Formula> (517)
C29H34F3N3O6

>  <MolWeight> (517)
577.5919696

>  <Cat> (517)
S8220

>  <Name> (517)
INCB3344

>  <Target> (517)
CCR

>  <Form> (517)
Free base

>  <CAS> (517)
1262238-11-8

>  <URL> (517)
http://www.selleckchem.com/products/incb3344.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (518)
6871

>  <Formula> (518)
C21H18N4OS

>  <MolWeight> (518)
374.45882

>  <Cat> (518)
S8224

>  <Name> (518)
PF-3644022

>  <Synonyms> (518)
N/A

>  <Target> (518)
MAPKAPK2,TNF-alpha

>  <Form> (518)
Free base

>  <CAS> (518)
1276121-88-0

>  <URL> (518)
http://www.selleckchem.com/products/pf-3644022.html

$$$$

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6876

>  <Formula> (519)
C32H32F3N3O2

>  <MolWeight> (519)
547.6105896

>  <Cat> (519)
S8431

>  <Name> (519)
SPD304

>  <Target> (519)
TNF-alpha

>  <Form> (519)
Free base

>  <CAS> (519)
869998-49-2

>  <URL> (519)
http://www.selleckchem.com/products/spd304.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (520)
6890

>  <Formula> (520)
C47H57ClFN7O8S

>  <MolWeight> (520)
934.5139832

>  <Cat> (520)
S0070

>  <Name> (520)
Gefitinib-based PROTAC 3

>  <Synonyms> (520)
N/A

>  <Target> (520)
EGFR,PROTAC

>  <Form> (520)
Free base

>  <CAS> (520)
2230821-27-7

>  <URL> (520)
http://www.selleckchem.com/products/gefitinib-based-protac-3.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (521)
6910

>  <Formula> (521)
C21H18ClFN4O4

>  <MolWeight> (521)
444.8434232

>  <Cat> (521)
S0437

>  <Name> (521)
SAR-20347

>  <Synonyms> (521)
N/A

>  <Target> (521)
IFN,Interleukins,JAK

>  <Form> (521)
Free base

>  <CAS> (521)
1450881-55-6

>  <URL> (521)
http://www.selleckchem.com/products/sar-20347.html

$$$$

csChFnd80/01162513232D

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>  <Mol_ID> (522)
6914

>  <Formula> (522)
C23H27FN4O4

>  <MolWeight> (522)
442.4832832

>  <Cat> (522)
S0504

>  <Name> (522)
SU14813

>  <Synonyms> (522)
SU 014813

>  <Target> (522)
c-Kit,PDGFR,VEGFR

>  <Form> (522)
Free base

>  <CAS> (522)
627908-92-3

>  <URL> (522)
http://www.selleckchem.com/products/su14813.html

$$$$

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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (523)
6928

>  <Formula> (523)
C27H29N5O

>  <MolWeight> (523)
439.55206

>  <Cat> (523)
S1034

>  <Name> (523)
NVP-AEW541

>  <Synonyms> (523)
AEW541

>  <Target> (523)
IGF-1R

>  <Form> (523)
Free base

>  <CAS> (523)
475489-16-8

>  <URL> (523)
http://www.selleckchem.com/products/NVP-AEW541.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (524)
6934

>  <Formula> (524)
C32H44F3N5O7

>  <MolWeight> (524)
667.7162696

>  <Cat> (524)
S2004

>  <Name> (524)
Vicriviroc Malate

>  <Synonyms> (524)
SCH 417690 (SCH-D) Malate

>  <Target> (524)
CCR

>  <Form> (524)
Malate

>  <CAS> (524)
541503-81-5

>  <URL> (524)
http://www.selleckchem.com/products/Vicriviroc-Malate.html

$$$$

csChFnd80/01162513232D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (525)
6935

>  <Formula> (525)
C26H22FN7O

>  <MolWeight> (525)
467.4975832

>  <Cat> (525)
S2211

>  <Name> (525)
AG-13958

>  <Synonyms> (525)
AG-013958

>  <Target> (525)
VEGFR

>  <Form> (525)
Free base

>  <CAS> (525)
319460-94-1

>  <URL> (525)
http://www.selleckchem.com/products/ag-13958.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (526)
6939

>  <Formula> (526)
C27H28ClFN6O

>  <MolWeight> (526)
507.0022232

>  <Cat> (526)
S2733

>  <Name> (526)
AV-412 free base

>  <Synonyms> (526)
MP-412 free base

>  <Target> (526)
EGFR

>  <Form> (526)
Free base

>  <CAS> (526)
451492-95-8

>  <URL> (526)
http://www.selleckchem.com/products/av-412-free-base.html

$$$$

csChFnd80/01162513232D

 48 50  0  0  0  0  0  0  0  0999 V2000
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 40 47  1  0  0  0  0
 42 48  1  0  0  0  0
M  END
>  <Mol_ID> (527)
6951

>  <Formula> (527)
C32H42F3N5O6

>  <MolWeight> (527)
649.7009896

>  <Cat> (527)
S3494

>  <Name> (527)
Vicriviroc maleate

>  <Synonyms> (527)
SCH-417690 maleate, SCH-D maleate

>  <Target> (527)
CCR,HIV Protease

>  <Form> (527)
Maleate

>  <CAS> (527)
599179-03-0

>  <URL> (527)
http://www.selleckchem.com/products/vicriviroc-maleate.html

$$$$

csChFnd80/01162513232D

 33 36  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  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 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 11  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
 10 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 28 23  1  0  0  0  0
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 31 32  2  0  0  0  0
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M  END
>  <Mol_ID> (528)
6955

>  <Formula> (528)
C23H27FN6O3

>  <MolWeight> (528)
454.4972832

>  <Cat> (528)
S3523

>  <Name> (528)
AZD7507

>  <Target> (528)
CSF-1R

>  <Form> (528)
Free base

>  <CAS> (528)
1041852-85-0

>  <URL> (528)
http://www.selleckchem.com/products/azd7507.html

$$$$

csChFnd80/01162513232D

 55 55  0  0  0  0  0  0  0  0999 V2000
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 31 40  1  0  0  0  0
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  5  7  1  0  0  0  0
 41 42  1  0  0  0  0
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 47 50  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 52 54  2  0  0  0  0
 52 55  1  0  0  0  0
M  END
>  <Mol_ID> (529)
6966

>  <Formula> (529)
C30H41F3N8O11S3

>  <MolWeight> (529)
842.8837496

>  <Cat> (529)
S5984

>  <Name> (529)
AST5902  trimesylate

>  <Synonyms> (529)
N/A

>  <Target> (529)
Others

>  <Form> (529)
Trimesylate

>  <CAS> (529)
2412155-74-7

>  <URL> (529)
http://www.selleckchem.com/products/ast5902.html

$$$$

csChFnd80/01162513232D

 41 44  0  0  0  0  0  0  0  0999 V2000
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    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4703    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6825    4.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0989    4.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0990    2.7981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7363    4.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8992   10.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7279   14.6787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7279   13.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1699    6.0672    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  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
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  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 23  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  3  0  0  0  0
 30 31  1  0  0  0  0
 28 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 34  1  1  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 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 35  1  0  0  0  0
M  END
>  <Mol_ID> (530)
6990

>  <Formula> (530)
C30H28Cl2FN5O3

>  <MolWeight> (530)
596.4794232

>  <Cat> (530)
S6897

>  <Name> (530)
Epertinib hydrochloride

>  <Synonyms> (530)
Epertinib HCl, S-222611 hydrochloride, S-222611 HCl

>  <Target> (530)
EGFR,HER2

>  <Form> (530)
Hydrochloride

>  <CAS> (530)
2071195-74-7

>  <URL> (530)
http://www.selleckchem.com/products/epertinib-hydrochloride.html

$$$$

csChFnd80/01162513232D

 28 32  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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4599    3.9550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1599    5.1674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9441    5.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0905    4.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5122    5.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5021    4.5398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8544    4.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2168    6.2545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8745    6.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3318    3.8146    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
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
  8 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  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
  5 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 21  1  0  0  0  0
 21 26  2  0  0  0  0
  2 27  1  0  0  0  0
 24 28  1  1  0  0  0
M  END
>  <Mol_ID> (531)
7004

>  <Formula> (531)
C20H21FN6O

>  <MolWeight> (531)
380.4187432

>  <Cat> (531)
S8636

>  <Name> (531)
Selitrectinib (LOXO-195)

>  <Synonyms> (531)
BAY 2731954

>  <Target> (531)
Trk receptor

>  <Form> (531)
Free base

>  <CAS> (531)
2097002-61-2

>  <URL> (531)
http://www.selleckchem.com/products/loxo-195.html

$$$$

csChFnd80/01162513232D

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.2048   13.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3048   12.4545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
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 11  7  1  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 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 18  1  0  0  0  0
 22 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
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 32  2  0  0  0  0
 34 37  1  0  0  0  0
 19 38  1  0  0  0  0
 27 39  1  0  0  0  0
M  END
>  <Mol_ID> (532)
7009

>  <Formula> (532)
C27H32FN9O2

>  <MolWeight> (532)
533.6004832

>  <Cat> (532)
S8716

>  <Name> (532)
Pralsetinib (BLU-667)

>  <Synonyms> (532)
CS 3009, Gavreto

>  <Target> (532)
c-RET

>  <Form> (532)
Free base

>  <CAS> (532)
2097132-94-8

>  <URL> (532)
http://www.selleckchem.com/products/blu-667.html

$$$$

csChFnd80/01162513232D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <MolWeight> (533)
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>  <Synonyms> (533)
N/A

>  <Target> (533)
CXCR

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Free base

>  <CAS> (533)
956590-23-1

>  <URL> (533)
http://www.selleckchem.com/products/unbs5162.html

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7031

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C30H38N8O2

>  <MolWeight> (534)
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>  <Cat> (534)
S8921

>  <Name> (534)
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>  <Synonyms> (534)
N/A

>  <Target> (534)
EGFR

>  <Form> (534)
Free base

>  <CAS> (534)
2664214-60-0

>  <URL> (534)
http://www.selleckchem.com/products/bi-4020.html

$$$$

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7061

>  <Formula> (535)
C24H33ClN4O8

>  <MolWeight> (535)
540.99382

>  <Cat> (535)
S9727

>  <Name> (535)
Ac-YVAD-cmk

>  <Synonyms> (535)
Caspase-1 Inhibitor II

>  <Target> (535)
Interleukins

>  <Form> (535)
Free base

>  <CAS> (535)
178603-78-6

>  <URL> (535)
http://www.selleckchem.com/products/ac-yvad-cmk.html

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>  <Cat> (536)
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>  <Synonyms> (536)
JUN04542

>  <Target> (536)
Axl,c-Met,Mertk,VEGFR

>  <Form> (536)
Free base

>  <CAS> (536)
2367004-54-2

>  <URL> (536)
http://www.selleckchem.com/products/xl092.html

$$$$

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7100

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C33H38N8O4S

>  <MolWeight> (537)
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>  <Cat> (537)
E0499

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>  <Synonyms> (537)
SC 71710

>  <Target> (537)
VEGFR

>  <Form> (537)
Free base

>  <CAS> (537)
895533-09-2

>  <URL> (537)
http://www.selleckchem.com/products/4sc-203.html

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7101

>  <Formula> (538)
C27H21N3O3

>  <MolWeight> (538)
435.47394

>  <Cat> (538)
E0616

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Chiauranib

>  <Synonyms> (538)
CS2164

>  <Target> (538)
Aurora Kinase,c-Kit,CSF-1R,PDGFR,VEGFR

>  <Form> (538)
Free base

>  <CAS> (538)
1256349-48-0

>  <URL> (538)
http://www.selleckchem.com/products/chiauranib.html

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7112

>  <Formula> (539)
C25H20Cl2N2O3

>  <MolWeight> (539)
467.3439

>  <Cat> (539)
E1078

>  <Name> (539)
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>  <Target> (539)
Dehydrogenase,VEGFR

>  <Form> (539)
Free base

>  <CAS> (539)
1256565-36-2

>  <URL> (539)
http://www.selleckchem.com/products/emvododstat-ptc299.html

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M  END
>  <Mol_ID> (540)
7143

>  <Formula> (540)
C21H16ClF3N4

>  <MolWeight> (540)
416.8267496

>  <Cat> (540)
E2387

>  <Name> (540)
FLT3-IN-2

>  <Target> (540)
FLT3

>  <Form> (540)
Free base

>  <CAS> (540)
923562-23-6

>  <URL> (540)
http://www.selleckchem.com/products/flt3-in-2.html

$$$$

csChFnd80/01162513232D

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>  <Mol_ID> (541)
7144

>  <Formula> (541)
C28H23N3O2S

>  <MolWeight> (541)
465.56612

>  <Cat> (541)
E2394

>  <Name> (541)
TGF¦ÂRI-IN-3

>  <Target> (541)
TGF-beta/Smad

>  <Form> (541)
Free base

>  <CAS> (541)
2763602-67-9

>  <URL> (541)
http://www.selleckchem.com/products/tgfbetari-in-3.html

$$$$

csChFnd80/01162513232D

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>  <Mol_ID> (542)
7145

>  <Formula> (542)
C34H43N7O2

>  <MolWeight> (542)
581.75092

>  <Cat> (542)
E2397

>  <Name> (542)
hVEGF-IN-1

>  <Target> (542)
VEGFR

>  <Form> (542)
Free base

>  <CAS> (542)
1637443-98-1

>  <URL> (542)
http://www.selleckchem.com/products/hvegf-in-1.html

$$$$

csChFnd80/01162513232D

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>  <Mol_ID> (543)
7147

>  <Formula> (543)
C18H19ClFN7

>  <MolWeight> (543)
387.8417632

>  <Cat> (543)
E2399

>  <Name> (543)
Falnidamol

>  <Synonyms> (543)
BIBX1382

>  <Target> (543)
EGFR,p38 MAPK

>  <Form> (543)
Free base

>  <CAS> (543)
196612-93-8

>  <URL> (543)
http://www.selleckchem.com/products/falnidamol.html

$$$$

csChFnd80/01162513232D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (544)
7153

>  <Formula> (544)
C23H25N7O2

>  <MolWeight> (544)
431.4903

>  <Cat> (544)
E2629

>  <Name> (544)
Vimseltinib

>  <Synonyms> (544)
DCC-3014

>  <Target> (544)
c-Kit,CSF-1R

>  <Form> (544)
Free base

>  <CAS> (544)
1628606-05-2

>  <URL> (544)
http://www.selleckchem.com/products/vimseltinib.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (545)
7156

>  <Formula> (545)
C9H8N2S

>  <MolWeight> (545)
176.23822

>  <Cat> (545)
E2655

>  <Name> (545)
Terevalefim

>  <Synonyms> (545)
ANG-3777

>  <Target> (545)
c-Met

>  <Form> (545)
Free base

>  <CAS> (545)
1070881-42-3

>  <URL> (545)
http://www.selleckchem.com/products/terevalefim.html

$$$$

csChFnd80/01162513232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (546)
7157

>  <Formula> (546)
C18H14ClFN4O

>  <MolWeight> (546)
356.7813632

>  <Cat> (546)
E2656

>  <Name> (546)
R1530

>  <Target> (546)
FGFR,VEGFR

>  <Form> (546)
Free base

>  <CAS> (546)
882531-87-5

>  <URL> (546)
http://www.selleckchem.com/products/r1530.html

$$$$

csChFnd80/01162513232D

 35 38  0  0  0  0  0  0  0  0999 V2000
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 29 32  1  0  0  0  0
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M  END
>  <Mol_ID> (547)
7170

>  <Formula> (547)
C23H28BrN7O3S

>  <MolWeight> (547)
562.48252

>  <Cat> (547)
E2836

>  <Name> (547)
ALK inhibitor 1

>  <Synonyms> (547)
compound 17

>  <Target> (547)
ALK,FAK,Serine/threonin kinase

>  <Form> (547)
Free base

>  <CAS> (547)
761436-81-1

>  <URL> (547)
http://www.selleckchem.com/products/alk-inhibitor-1.html

$$$$

csChFnd80/01162513232D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0  0  0  0
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 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (548)
7223

>  <Formula> (548)
C20H16N4

>  <MolWeight> (548)
312.36784

>  <Cat> (548)
E2807

>  <Name> (548)
WAY-641966

>  <Target> (548)
TGF-¦Â,p38-¦Á

>  <Form> (548)
Free base

>  <CAS> (548)
259870-32-1

>  <URL> (548)
https://www.selleckchem.com/products/way-641966.html

$$$$
Dexamethasone sodium phosphate.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (549)
7427

>  <Formula> (549)
C22H28FNa2O8P

>  <MolWeight> (549)
516.4046242

>  <Cat> (549)
S4028

>  <Name> (549)
Dexamethasone Sodium Phosphate

>  <Synonyms> (549)
Dexamethasone?21-phosphate disodium salt

>  <Target> (549)
Autophagy,Complement System,COVID-19,COX,IL Receptor

>  <Form> (549)
Disodium salt

>  <CAS> (549)
55203-24-2

>  <URL> (549)
http://selleckchem.com/products/dexamethasone-sodium-phosphate.html

$$$$
BLU9931.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (550)
7430

>  <Formula> (550)
C26H22Cl2N4O3

>  <MolWeight> (550)
509.38388

>  <Cat> (550)
S7819

>  <Name> (550)
BLU9931

>  <Synonyms> (550)
N/A

>  <Target> (550)
FGFR

>  <Form> (550)
Free Base

>  <CAS> (550)
1538604-68-0

>  <URL> (550)
http://selleckchem.com/products/blu9931.html

$$$$
TP-0903.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (551)
7431

>  <Formula> (551)
C24H30ClN7O2S

>  <MolWeight> (551)
516.0587

>  <Cat> (551)
S7846

>  <Name> (551)
Dubermatinib(TP-0903)

>  <Synonyms> (551)
N/A

>  <Target> (551)
Apoptosis related,Axl

>  <Form> (551)
Free Base

>  <CAS> (551)
1341200-45-0

>  <URL> (551)
http://selleckchem.com/products/tp-0903.html

$$$$
UNC2250.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (552)
7462

>  <Formula> (552)
C24H36N6O2

>  <MolWeight> (552)
440.58164

>  <Cat> (552)
S7342

>  <Name> (552)
UNC2250

>  <Synonyms> (552)
N/A

>  <Target> (552)
Mertk

>  <Form> (552)
Free Base

>  <CAS> (552)
1493694-70-4

>  <URL> (552)
http://selleckchem.com/products/unc2250.html

$$$$
LDN193189 HCl.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (553)
7463

>  <Formula> (553)
C25H23ClN6

>  <MolWeight> (553)
442.94332

>  <Cat> (553)
S7507

>  <Name> (553)
LDN-193189 2HCl

>  <Synonyms> (553)
DM-3189 2HCl

>  <Target> (553)
TGF-beta/Smad

>  <Form> (553)
Hydrochloride

>  <CAS> (553)
1435934-00-1

>  <URL> (553)
http://selleckchem.com/products/ldn-193189-2hcl.html

$$$$
LY2109761.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (554)
8099

>  <Formula> (554)
C26H27N5O2

>  <MolWeight> (554)
441.52488

>  <Cat> (554)
S2704

>  <Name> (554)
LY2109761

>  <Synonyms> (554)
N/A

>  <Target> (554)
Apoptosis related,Autophagy,TGF-beta/Smad

>  <Form> (554)
Free Base

>  <CAS> (554)
700874-71-1

>  <URL> (554)
http://selleckchem.com/products/ly2109761.html

$$$$
INCB28060.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (555)
8100

>  <Formula> (555)
C23H17FN6O

>  <MolWeight> (555)
412.4190832

>  <Cat> (555)
S2788

>  <Name> (555)
Capmatinib (INCB28060)

>  <Synonyms> (555)
INC280, NVP-INC280

>  <Target> (555)
Apoptosis related,c-Met,Wnt/beta-catenin

>  <Form> (555)
Free Base

>  <CAS> (555)
1029712-80-8

>  <URL> (555)
http://selleckchem.com/products/incb28060.html

$$$$
Plerixafor 8HCl.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (556)
8101

>  <Formula> (556)
C28H62Cl8N8

>  <MolWeight> (556)
794.46948

>  <Cat> (556)
S3013

>  <Name> (556)
Plerixafor (AMD3100) 8HCl

>  <Synonyms> (556)
JM 3100 8HCl,Plerixafor Octahydrochloride,AMD3100 octahydrochloride,SID791 octahydrochloride

>  <Target> (556)
CXCR,HIV

>  <Form> (556)
Octahydrochloride

>  <CAS> (556)
155148-31-5

>  <URL> (556)
http://selleckchem.com/products/plerixafor-8hcl-db06809.html

$$$$
LY364947.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (557)
8103

>  <Formula> (557)
C17H12N4

>  <MolWeight> (557)
272.30398

>  <Cat> (557)
S2805

>  <Name> (557)
LY364947

>  <Synonyms> (557)
HTS 466284

>  <Target> (557)
Casein Kinase,Mixed Lineage Kinase,RIP kinase,TGF-beta/Smad

>  <Form> (557)
Free Base

>  <CAS> (557)
396129-53-6

>  <URL> (557)
http://selleckchem.com/products/ly364947.html

$$$$
untitled.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (558)
8120

>  <Formula> (558)
C24H25ClFN5O3

>  <MolWeight> (558)
485.9384032

>  <Cat> (558)
S1019

>  <Name> (558)
Canertinib (CI-1033)

>  <Synonyms> (558)
PD183805

>  <Target> (558)
EGFR,HER2

>  <Form> (558)
Free Base

>  <CAS> (558)
267243-28-7

>  <URL> (558)
http://selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (559)
8121

>  <Formula> (559)
C31H42N6O4

>  <MolWeight> (559)
562.70298

>  <Cat> (559)
S1043

>  <Name> (559)
Tandutinib (MLN518)

>  <Synonyms> (559)
CT 53518, NSC726292, MLN518

>  <Target> (559)
FLT3

>  <Form> (559)
Free Base

>  <CAS> (559)
387867-13-2

>  <URL> (559)
http://selleckchem.com/products/Tandutinib-(MLN518).html

$$$$
untitled.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (560)
8122

>  <Formula> (560)
C22H24BrFN4O2

>  <MolWeight> (560)
475.3539632

>  <Cat> (560)
S1046

>  <Name> (560)
Vandetanib (ZD6474)

>  <Synonyms> (560)
ZD6474

>  <Target> (560)
Apoptosis related,Autophagy,EGFR,ROS,VEGFR

>  <Form> (560)
free base

>  <CAS> (560)
443913-73-3

>  <URL> (560)
http://selleckchem.com/products/Vandetanib.html

$$$$
Plerixafor.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (561)
8145

>  <Formula> (561)
C28H54N8

>  <MolWeight> (561)
502.78196

>  <Cat> (561)
S8030

>  <Name> (561)
Plerixafor (AMD3100)

>  <Synonyms> (561)
JM 3100, SID791

>  <Target> (561)
CXCR,HIV

>  <Form> (561)
Free Base

>  <CAS> (561)
110078-46-1

>  <URL> (561)
http://selleckchem.com/products/plerixafor.html

$$$$
NVP-TAE684.cdx
csChFnd80/01162513232D

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>  <Mol_ID> (562)
8154

>  <Formula> (562)
C30H40ClN7O3S

>  <MolWeight> (562)
614.2017

>  <Cat> (562)
S1108

>  <Name> (562)
TAE684 (NVP-TAE684)

>  <Synonyms> (562)
N/A

>  <Target> (562)
ALK,Apoptosis related

>  <Form> (562)
Free Base

>  <CAS> (562)
761439-42-3

>  <URL> (562)
http://selleckchem.com/products/NVP-TAE684.html

$$$$
SGX-523 .cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (563)
8155

>  <Formula> (563)
C18H13N7S

>  <MolWeight> (563)
359.40772

>  <Cat> (563)
S1112

>  <Name> (563)
SGX-523

>  <Synonyms> (563)
N/A

>  <Target> (563)
c-Met

>  <Form> (563)
free base

>  <CAS> (563)
1022150-57-7

>  <URL> (563)
http://selleckchem.com/products/SGX-523.html

$$$$
s1023.cdx
csChFnd80/01162513232D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (564)
8157

>  <Formula> (564)
C22H24ClN3O4

>  <MolWeight> (564)
429.89666

>  <Cat> (564)
S1023

>  <Name> (564)
Erlotinib (OSI-774) HCl

>  <Synonyms> (564)
CP358774, NSC 718781,OSI-774 HCl

>  <Target> (564)
Autophagy,EGFR

>  <Form> (564)
Hydrochloride

>  <CAS> (564)
183319-69-9

>  <URL> (564)
http://selleckchem.com/products/Erlotinib-Hydrochloride.html

$$$$
R 788.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (565)
8191

>  <Formula> (565)
C23H24FN6Na2O9P

>  <MolWeight> (565)
624.4231642

>  <Cat> (565)
S2206

>  <Name> (565)
Fostamatinib (R788) disodium

>  <Synonyms> (565)
Tamatinib Fosdium

>  <Target> (565)
Syk

>  <Form> (565)
Sodium Salt

>  <CAS> (565)
1025687-58-4

>  <URL> (565)
http://selleckchem.com/products/R788(Fostamatinib-disodium).html

$$$$
AMD3465.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (566)
8226

>  <Formula> (566)
C24H44Br6N6

>  <MolWeight> (566)
896.07036

>  <Cat> (566)
S2879

>  <Name> (566)
AMD3465 hexahydrobromide

>  <Synonyms> (566)
N/A

>  <Target> (566)
CXCR

>  <Form> (566)
HBr

>  <CAS> (566)
185991-07-5, 185991-24-6 (free base)

>  <URL> (566)
http://selleckchem.com/products/amd3465.html

$$$$
DAPTA.cdx
csChFnd80/01162513232D

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    0.0000    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
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 13  7  1  0  0  0  0
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 10 15  2  0  0  0  0
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 22 30  1  0  0  0  0
 22 31  2  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
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 33 35  1  0  0  0  0
 33 36  1  1  0  0  0
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 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  1  6  0  0  0
 41 44  1  0  0  0  0
 41 45  2  0  0  0  0
 44 46  1  0  0  0  0
 44 47  1  0  0  0  0
 46 48  1  0  0  0  0
 47 49  1  0  0  0  0
 47 50  1  1  0  0  0
 48 51  1  0  0  0  0
 48 52  2  0  0  0  0
 51 53  1  0  0  0  0
 51 54  1  6  0  0  0
 53 55  1  0  0  0  0
 54 56  1  0  0  0  0
 55 57  1  0  0  0  0
 55 58  2  0  0  0  0
 57 59  1  6  0  0  0
 57 60  1  0  0  0  0
 44 61  1  6  0  0  0
 37 62  1  1  0  0  0
 28 63  1  6  0  0  0
 13 64  1  1  0  0  0
M  END
>  <Mol_ID> (567)
8227

>  <Formula> (567)
C35H56N10O15

>  <MolWeight> (567)
856.87714

>  <Cat> (567)
S8501

>  <Name> (567)
Adaptavir (DAPTA)

>  <Synonyms> (567)
D-Ala-peptide T-amide, peptide T

>  <Target> (567)
CCR

>  <Form> (567)
free base

>  <CAS> (567)
106362-34-9

>  <URL> (567)
http://selleckchem.com/products/dapta.html

$$$$
TAK-659.cdx
csChFnd80/01162513232D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.2755    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    7.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    5.1513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    7.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    7.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3495    9.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9572    9.4671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3878    8.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    5.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.1513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.7513    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8531    3.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    1.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.0513    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9368    5.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.4679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    3.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    2.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0184    7.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.9513    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.7513    0.0000 N   0  0  0  0  0  0  0  0  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  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
 13 12  1  1  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 13  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 22 11  2  0  0  0  0
 21 23  1  0  0  0  0
 10 24  2  0  0  0  0
  6 25  1  0  0  0  0
 18 26  1  1  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (568)
8231

>  <Formula> (568)
C17H22ClFN6O

>  <MolWeight> (568)
380.8475832

>  <Cat> (568)
S8442

>  <Name> (568)
TAK-659

>  <Synonyms> (568)
N/A

>  <Target> (568)
FLT3,Syk

>  <Form> (568)
hydrochloride

>  <CAS> (568)
1952251-28-3

>  <URL> (568)
http://selleckchem.com/products/tak-659.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/01162513232D

 20 17  0  0  0  0  0  0  0  0999 V2000
    4.7611    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3521    3.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2131    5.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5731    2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282    5.0829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5143    2.5760    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0767    5.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5423    5.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921    1.2735    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    5.5489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7231    1.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4104    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2700    0.6897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3514    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    4.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    7.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5820    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6829    0.6064    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5646    6.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 14 16  1  0  0  0  0
  5 20  1  6  0  0  0
M  END
>  <Mol_ID> (569)
8261

>  <Formula> (569)
C6H6Na3O9P

>  <MolWeight> (569)
322.049511

>  <Cat> (569)
S5115

>  <Name> (569)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (569)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (569)
c-Met

>  <Form> (569)
sodium salt

>  <CAS> (569)
66170-10-3

>  <URL> (569)
http://selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/01162513232D

 32 34  0  0  0  0  0  0  0  0999 V2000
   10.9179    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1553    4.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9179    6.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6978    4.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1553    2.7802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3793    4.8885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6935    7.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1579    7.0386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4783    4.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3677    2.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3793    6.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4881    6.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2676    4.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5630    2.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3677    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2859    7.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0378    4.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7527    2.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5681    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0703    6.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    4.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7527    0.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9671    2.7845    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6142    4.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9721    0.0081    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4023    4.2142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4023    2.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2021    4.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060    2.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0146    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8956    1.3920    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  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  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  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> (570)
8282

>  <Formula> (570)
C22H25Cl2FN4O3

>  <MolWeight> (570)
483.3633032

>  <Cat> (570)
S5098

>  <Name> (570)
Gefitinib hydrochloride

>  <Synonyms> (570)
ZD1839 hydrochloride

>  <Target> (570)
EGFR

>  <Form> (570)
hydrochloride

>  <CAS> (570)
184475-55-6

>  <URL> (570)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
S5584 Citronellol.cdx
csChFnd80/01162513232D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  3  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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    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
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (571)
8307

>  <Formula> (571)
C10H20O

>  <MolWeight> (571)
156.2652

>  <Cat> (571)
S5584

>  <Name> (571)
Citronellol

>  <Synonyms> (571)
Dihydrogeraniol, (¡À)-¦Â-Citronellol

>  <Target> (571)
Apoptosis related,Caspase,RIP kinase,ROS,TNF-alpha

>  <Form> (571)
free base

>  <CAS> (571)
106-22-9

>  <URL> (571)
http://selleckchem.com/products/citronellol.html

$$$$
S5588 Creatine.cdx
csChFnd80/01162513232D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (572)
8308

>  <Formula> (572)
C4H9N3O2

>  <MolWeight> (572)
131.13316

>  <Cat> (572)
S5588

>  <Name> (572)
Creatine

>  <Synonyms> (572)
Methylguanidoacetic acid

>  <Target> (572)
IFN,JAK

>  <Form> (572)
free base

>  <CAS> (572)
57-00-1

>  <URL> (572)
http://selleckchem.com/products/creatine.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/01162513232D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.6282    8.7151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9877    8.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0677    6.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    6.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8905    7.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2801    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2801    4.8472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4926    6.9472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7050    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9174    6.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1299    6.2472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4089    6.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3456    5.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6457    4.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2763    4.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4603    5.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0571    9.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3952    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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  3  6  1  0  0  0  0
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 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
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  8  9  1  0  0  0  0
  4 16  1  0  0  0  0
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 19 20  1  0  0  0  0
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 23 24  2  0  0  0  0
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 22 27  2  0  0  0  0
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 18 21  2  0  0  0  0
  5 18  1  0  0  0  0
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M  END
>  <Mol_ID> (573)
8319

>  <Formula> (573)
C22H28FN4O6P

>  <MolWeight> (573)
494.4530842

>  <Cat> (573)
S5272

>  <Name> (573)
Toceranib phosphate

>  <Synonyms> (573)
Palladia, SU11654

>  <Target> (573)
PDGFR,VEGFR

>  <Form> (573)
phosphate

>  <CAS> (573)
874819-74-6

>  <URL> (573)
https://www.selleckchem.com/products/toceranib-phosphate.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/01162513232D

 41 45  0  0  0  0  0  0  0  0999 V2000
    3.6373    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
    4.8497    2.1000    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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    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
   10.9119    2.8000    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    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4033    4.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6401    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2707    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2095    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3866    8.9950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9561   10.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9943    8.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7324    5.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3019    3.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6942    3.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5171    4.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9477    6.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5553    6.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  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
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
  8 12  1  0  0  0  0
 12 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  8  1  0  0  0  0
  7 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
M  END
>  <Mol_ID> (574)
8323

>  <Formula> (574)
C30H34N8O3

>  <MolWeight> (574)
554.64276

>  <Cat> (574)
S8724

>  <Name> (574)
Lazertinib

>  <Synonyms> (574)
YH25448,GNS-1480

>  <Target> (574)
EGFR

>  <Form> (574)
free base

>  <CAS> (574)
1903008-80-9

>  <URL> (574)
http://selleckchem.com/products/lazertinib-yh25448-gns-1480.html

$$$$
S9054 Pectolinarin.cdx
csChFnd80/01162513232D

 44 48  0  0  0  0  0  0  0  0999 V2000
   12.1086    9.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1086    8.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964    7.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    8.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4665    7.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2508    8.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2508    9.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4703   10.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6899    9.7823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951   10.4782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964    6.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0478   10.4769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8447    8.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8447    9.7824    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6166   10.4914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4087    9.7940    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4087    8.3907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6388    7.6805    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6388    6.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6337    3.4963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1990    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2091    3.5020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2091    2.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4371    1.3813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6713    2.0939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8640    1.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0108    1.3984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    7.6951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019   10.4908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166   11.8918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3192   10.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3192   11.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5352   12.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7437   11.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7437   10.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5470    9.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9773   12.5686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
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 13 18  1  0  0  0  0
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 21 26  1  0  0  0  0
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 25 28  1  6  0  0  0
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 23 30  1  1  0  0  0
 22 20  1  6  0  0  0
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 18 19  1  6  0  0  0
 17 31  1  1  0  0  0
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 14 12  1  6  0  0  0
  7 12  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
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 38 39  1  0  0  0  0
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 40 41  1  0  0  0  0
 37 40  1  0  0  0  0
  1 34  1  0  0  0  0
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  5 43  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (575)
8347

>  <Formula> (575)
C29H34O15

>  <MolWeight> (575)
622.57126

>  <Cat> (575)
S9054

>  <Name> (575)
Pectolinarin

>  <Synonyms> (575)
7-[[6-O-(6-Deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5-hydroxy-6-methoxy-1-(4-methoxyphenyl)-4H-1-benzopyran-4-one

>  <Target> (575)
Akt,Apoptosis related,Immunology & Inflammation related,Interleukins,PGES,PI3K

>  <Form> (575)
free base

>  <CAS> (575)
28978-02-1

>  <URL> (575)
https://www.selleckchem.com/products/pectolinarin.html

$$$$
S9062 4-Hydroxyisoleucine.cdx
csChFnd80/01162513232D

 10  9  0  0  0  0  0  0  0  0999 V2000
    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
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  3  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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
>  <Mol_ID> (576)
8348

>  <Formula> (576)
C6H13NO3

>  <MolWeight> (576)
147.17232

>  <Cat> (576)
S9062

>  <Name> (576)
4-Hydroxyisoleucine

>  <Synonyms> (576)
(2S, 3R)-2-Amino-4-hydroxy-3-methylpentanoic acid

>  <Target> (576)
Others

>  <Form> (576)
free base

>  <CAS> (576)
781658-23-9

>  <URL> (576)
https://www.selleckchem.com/products/4-hydroxyisoleucine.html

$$$$
S9081 Anemoside B4.cdx
csChFnd80/01162513232D

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M  END
>  <Mol_ID> (577)
8351

>  <Formula> (577)
C59H96O26

>  <MolWeight> (577)
1221.37794

>  <Cat> (577)
S9081

>  <Name> (577)
Anemoside B4

>  <Synonyms> (577)
Pulchinenoside B4, Chinensioside A, Pulchinenoside C, Pulsatilla saponin B4

>  <Target> (577)
Others

>  <Form> (577)
Salt

>  <CAS> (577)
129741-57-7

>  <URL> (577)
https://www.selleckchem.com/products/anemoside-b4.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (578)
8432

>  <Formula> (578)
C29H39ClN7O2P

>  <MolWeight> (578)
584.092421

>  <Cat> (578)
S8229

>  <Name> (578)
Brigatinib (AP26113)

>  <Synonyms> (578)
N/A

>  <Target> (578)
ALK,EGFR,FLT3,IGF-1R,ROS1

>  <Form> (578)
Free Base

>  <CAS> (578)
1197953-54-0

>  <URL> (578)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/01162513232D

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    9.6993    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.8877    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7612    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9736    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9736    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7612    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5487    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5487    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1861    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3983    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6108    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0355    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8232    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8232    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0355    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2480    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2480    2.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 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
 10 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 12 16  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 20 29  2  0  0  0  0
 24 29  1  0  0  0  0
 31 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
 33 38  1  0  0  0  0
 32 35  1  0  0  0  0
 30 31  1  0  0  0  0
 21 30  1  0  0  0  0
  4 26  1  0  0  0  0
  5 39  1  0  0  0  0
M  END
>  <Mol_ID> (579)
9678

>  <Formula> (579)
C29H28F3N5O2

>  <MolWeight> (579)
535.5601296

>  <Cat> (579)
S2213

>  <Name> (579)
AMG-47a

>  <Synonyms> (579)
N/A

>  <Target> (579)
Src

>  <Form> (579)
Free Base

>  <CAS> (579)
882663-88-9

>  <URL> (579)
https://www.selleckchem.com/products/amg-47a.html

$$$$

csChFnd80/01162513232D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4951    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
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0084    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291   12.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  1  0  0  0  0
  7 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  8  1  0  0  0  0
 12 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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (580)
9691

>  <Formula> (580)
C19H18NO4+

>  <MolWeight> (580)
324.35052

>  <Cat> (580)
S3299

>  <Name> (580)
Demethyleneberberine

>  <Synonyms> (580)
DMB

>  <Target> (580)
AMPK,Interleukins,NF-¦ÊB,Peroxidases,TNF-alpha

>  <Form> (580)
free base

>  <CAS> (580)
25459-91-0

>  <URL> (580)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/01162513232D

 24 29  0  0  0  0  0  0  0  0999 V2000
    2.4249    9.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3462   11.9852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9539   12.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845   10.8525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.4157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7157    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.4249    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    1.2790    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  3  1  0  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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 19 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
M  END
>  <Mol_ID> (581)
9692

>  <Formula> (581)
C19H17NO4

>  <MolWeight> (581)
323.34258

>  <Cat> (581)
S3304

>  <Name> (581)
Stylopine

>  <Synonyms> (581)
(R,S)-Stylopine, Tetrahydrocoptisine

>  <Target> (581)
COX,Interleukins,NOS,PGES,TNF-alpha

>  <Form> (581)
free base

>  <CAS> (581)
4312-32-7

>  <URL> (581)
http://www.selleckchem.com/products/stylopine-trahydocoptisine-.html

$$$$

csChFnd80/01162513232D

152158  0  0  0  0  0  0  0  0999 V2000
   13.3368   16.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   16.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.8986   28.5849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   18.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7618    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5530   17.0880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0363   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492   20.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   24.8832   22.2502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7618    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995   16.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9742   14.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244   18.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3105   17.5742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2682   20.2054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   22.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   22.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6045   23.0796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   24.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2560   24.4503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6830   20.1053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (582)
9697

>  <Formula> (582)
C97H144FN33O19S2

>  <MolWeight> (582)
2159.5193632

>  <Cat> (582)
S9665

>  <Name> (582)
Motixafortide (BL-8040)

>  <Synonyms> (582)
BKT140, TF 14016, 4-fluorobenzoyl, 4F-benzoyl-TN14003, T140

>  <Target> (582)
Apoptosis related,Bcl-2,CDK,CXCR,ERK,MicroRNA

>  <Form> (582)
free base

>  <CAS> (582)
664334-36-5

>  <URL> (582)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (583)
9738

>  <Formula> (583)
C72H66N8O12S4

>  <MolWeight> (583)
1363.60084

>  <Cat> (583)
P1202

>  <Name> (583)
TMPyP4 tosylate

>  <Synonyms> (583)
TMP 1363

>  <Target> (583)
G-quadruplex,Telomerase

>  <Form> (583)
Tosylate

>  <CAS> (583)
36951-72-1

>  <URL> (583)
http://www.selleckchem.com/products/tmpyp4-tosylate.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (584)
9761

>  <Formula> (584)
C36H26N4

>  <MolWeight> (584)
514.61844

>  <Cat> (584)
S0293

>  <Name> (584)
MSX-130

>  <Synonyms> (584)
N/A

>  <Target> (584)
CXCR

>  <Form> (584)
Free Base

>  <CAS> (584)
4051-59-6

>  <URL> (584)
http://www.selleckchem.com/products/msx-130.html

$$$$

csChFnd80/01162513232D

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  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  6  0  0  0
 10 15  1  0  0  0  0
 10 16  1  6  0  0  0
 12 17  1  0  0  0  0
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 56 21  1  1  0  0  0
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 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
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 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
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 41 42  1  0  0  0  0
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 43 46  1  0  0  0  0
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 47 48  1  1  0  0  0
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 48 50  1  0  0  0  0
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 56 58  1  0  0  0  0
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 58 60  1  0  0  0  0
 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (585)
9805

>  <Formula> (585)
C33H54N12O15

>  <MolWeight> (585)
858.85326

>  <Cat> (585)
P1137

>  <Name> (585)
Thymulin

>  <Synonyms> (585)
FTS

>  <Target> (585)
CCR,Interleukins

>  <Form> (585)
free base

>  <CAS> (585)
63958-90-7

>  <URL> (585)
http://www.selleckchem.com/products/thymulin.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (586)
9831

>  <Formula> (586)
C62H88N14O10

>  <MolWeight> (586)
1189.44992

>  <Cat> (586)
S8505

>  <Name> (586)
LY2510924

>  <Synonyms> (586)
N/A

>  <Target> (586)
CXCR

>  <Form> (586)
Free base

>  <CAS> (586)
1088715-84-7

>  <URL> (586)
http://www.selleckchem.com/products/ly2510924.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (587)
9835

>  <Formula> (587)
C84H118N24O21S2

>  <MolWeight> (587)
1864.11392

>  <Cat> (587)
S9725

>  <Name> (587)
Balixafortide (POL6326)

>  <Synonyms> (587)
N/A

>  <Target> (587)
CXCR

>  <Form> (587)
Free base

>  <CAS> (587)
1051366-32-5

>  <URL> (587)
http://www.selleckchem.com/products/balixafortide-pol6326.html

$$$$

csChFnd80/01162513232D

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M  END
>  <Mol_ID> (588)
9842

>  <Formula> (588)
C32H36N8O2

>  <MolWeight> (588)
564.68064

>  <Cat> (588)
S3570

>  <Name> (588)
ARRY-382

>  <Synonyms> (588)
N/A

>  <Target> (588)
CSF-1R

>  <Form> (588)
Free base

>  <CAS> (588)
1313407-95-2

>  <URL> (588)
http://www.selleckchem.com/products/arry-382.html

$$$$

csChFnd80/01162513232D

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    9.0470    4.8494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0570    5.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6570    5.8394    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0622    4.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    5.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    7.1945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    7.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    6.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    5.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9280    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4045    5.4799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2947    7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3935    4.1852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  2  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 14  1  1  0  0  0
 12 16  1  1  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 26 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 21  1  0  0  0  0
 21 30  1  1  0  0  0
 17 31  2  0  0  0  0
M  END
>  <Mol_ID> (589)
9846

>  <Formula> (589)
C21H21FN6O3

>  <MolWeight> (589)
424.4282432

>  <Cat> (589)
S9826

>  <Name> (589)
TPX-0046

>  <Synonyms> (589)
N/A

>  <Target> (589)
c-RET,Src

>  <Form> (589)
Free base

>  <CAS> (589)
2359650-19-2

>  <URL> (589)
http://www.selleckchem.com/products/tpx-0046.html

$$$$
