azd6244.cdx
csChFnd80/12062113222D

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AZD6244 (Selumetinib)

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ARRY-142886 

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MEK

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Free Base

>  <CAS> (1)
606143-52-6

>  <URL> (1)
http://www.selleckchem.com/products/AZD6244.html

$$$$
untitled.cdx
csChFnd80/12062113222D

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2

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C19H25BN4O4

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384.2372

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S1013

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Bortezomib (Velcade)

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MG-341, PS-341

>  <Target> (2)
Proteasome

>  <Form> (2)
Free Base

>  <CAS> (2)
179324-69-7

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

$$$$
Bosutinib (SKI-606).cdx
csChFnd80/12062113222D

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>  <Mol_ID> (3)
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Bosutinib (SKI-606)

>  <Synonyms> (3)
N/A 

>  <Target> (3)
Src

>  <Form> (3)
Free Base

>  <CAS> (3)
380843-75-4

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

$$$$
CI1040.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (4)
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CI-1040 (PD184352)

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N/A 

>  <Target> (4)
MEK 

>  <Form> (4)
Free Base

>  <CAS> (4)
212631-79-3

>  <URL> (4)
http://www.selleckchem.com/products/CI-1040-(PD184352).html

$$$$
untitled.cdx
csChFnd80/12062113222D

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391210-10-9

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Sorafenib Tosylate

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VEGFR, PDGFR, Raf

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Tosylate

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475207-59-1

>  <URL> (6)
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301836-41-9

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152121-47-6

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Raf

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Free Base

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905281-76-7

>  <URL> (10)
http://www.selleckchem.com/products/GDC-0879.html

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>  <Target> (11)
MEK

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Ethanolate

>  <CAS> (11)
1173097-76-1

>  <URL> (11)
http://www.selleckchem.com/products/U0126.html

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918505-84-7

>  <URL> (12)
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167869-21-8

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S1178

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Regorafenib (BAY 73-4506)

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BAY 73-4506

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c-Kit, Raf, VEGFR

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Free Base

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755037-03-7

>  <URL> (14)
http://www.selleckchem.com/products/BAY-73-4506.html

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>  <Mol_ID> (15)
15

>  <Formula> (15)
C23H18ClF2N3O3S

>  <MolWeight> (15)
489.9221264

>  <Cat> (15)
S1267

>  <Name> (15)
Vemurafenib (PLX4032, RG7204)

>  <Synonyms> (15)
RO5185426

>  <Target> (15)
Raf 

>  <Form> (15)
Free Base

>  <CAS> (15)
918504-65-1

>  <URL> (15)
http://www.selleckchem.com/products/PLX-4032.html

$$$$
Ginkgolide B.cdx
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>  <Mol_ID> (16)
16

>  <Formula> (16)
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>  <MolWeight> (16)
424.39856

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S1343

>  <Name> (16)
Ginkgolide B

>  <Synonyms> (16)
BN 52021 

>  <Target> (16)
PAFR

>  <Form> (16)
Free Base

>  <CAS> (16)
15291-77-7

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

$$$$
Pelitinib.cdx
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>  <Mol_ID> (17)
17

>  <Formula> (17)
C24H23ClFN5O2

>  <MolWeight> (17)
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>  <Cat> (17)
S1392

>  <Name> (17)
Pelitinib (EKB-569)

>  <Synonyms> (17)
WAY-EKB 569

>  <Target> (17)
EGFR

>  <Form> (17)
Free Base

>  <CAS> (17)
257933-82-7

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

$$$$
resveratrol.cdx
csChFnd80/12062113222D

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27

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C31H37N5O3

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S1574

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BIRB 796 (Doramapimod)

>  <Synonyms> (27)
N/A

>  <Target> (27)
p38 MAPK

>  <Form> (27)
Free Base

>  <CAS> (27)
285983-48-4

>  <URL> (27)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Methylthiouracil.cdx
csChFnd80/12062113222D

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28

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C5H6N2OS

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S3138

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Methylthiouracil

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N/A

>  <Target> (28)
Others

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Free Base

>  <CAS> (28)
20547

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/12062113222D

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29

>  <Formula> (29)
C4H12ClN5

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S1950

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Metformin hydrochloride (Glucophage)

>  <Synonyms> (29)
Glucophage, Riomet, Diabex

>  <Target> (29)
Others

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Hydrochloride

>  <CAS> (29)
1115-70-4

>  <URL> (29)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
AZ628.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (30)
30

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C27H25N5O2

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451.5197

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S2746

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AZ628

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N/A

>  <Target> (30)
Raf 

>  <Form> (30)
Free Base

>  <CAS> (30)
878739-06-1

>  <URL> (30)
http://www.selleckchem.com/products/az628.html

$$$$
Lonafarnib.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (31)
31

>  <Formula> (31)
C27H31Br2ClN4O2

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>  <Cat> (31)
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>  <Name> (31)
Lonafarnib (SCH66336)

>  <Synonyms> (31)
N/A 

>  <Target> (31)
Transferase

>  <Form> (31)
Free Base

>  <CAS> (31)
193275-84-2

>  <URL> (31)
http://www.selleckchem.com/products/lonafarnib-sch66336.html

$$$$
GSK2118436.cdx
csChFnd80/12062113222D

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Raf

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1195765-45-7

>  <URL> (32)
http://www.selleckchem.com/products/dabrafenib-gsk2118436a.html

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MEK

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869357-68-6

>  <URL> (33)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

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Raf, VEGFR

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927880-90-8

>  <URL> (34)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

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M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C23H14F6N6O

>  <MolWeight> (35)
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>  <Cat> (35)
S2200

>  <Name> (35)
Raf265 derivative

>  <Synonyms> (35)
N/A

>  <Target> (35)
VEGFR, Raf

>  <Form> (35)
Free Base

>  <CAS> (35)
N/A

>  <URL> (35)
http://www.selleckchem.com/products/Raf265-derivative.html

$$$$
NVP-BHG712.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (36)
36

>  <Formula> (36)
C26H20F3N7O

>  <MolWeight> (36)
503.4785096

>  <Cat> (36)
S2202

>  <Name> (36)
NVP-BHG712

>  <Synonyms> (36)
N/A

>  <Target> (36)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (36)
Free Base

>  <CAS> (36)
940310-85-0

>  <URL> (36)
http://www.selleckchem.com/products/NVP-BHG712.html

$$$$
SB 590885.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (37)
37

>  <Formula> (37)
C27H27N5O2

>  <MolWeight> (37)
453.53558

>  <Cat> (37)
S2220

>  <Name> (37)
SB590885

>  <Synonyms> (37)
GSK2118436 

>  <Target> (37)
Raf

>  <Form> (37)
Free Base

>  <CAS> (37)
405554-55-4 

>  <URL> (37)
http://www.selleckchem.com/products/SB590885.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (38)
38

>  <Formula> (38)
C22H18O11

>  <MolWeight> (38)
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>  <Cat> (38)
S2250

>  <Name> (38)
(-)-Epigallocatechin gallate

>  <Synonyms> (38)
EGCG

>  <Target> (38)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (38)
Free Base

>  <CAS> (38)
989-51-5

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

$$$$
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  2 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  1  0  0  0
 18 21  1  1  0  0  0
 20 22  1  0  0  0  0
 17 23  1  6  0  0  0
 19 24  1  6  0  0  0
M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C15H16O9

>  <MolWeight> (39)
340.28214

>  <Cat> (39)
S2258

>  <Name> (39)
Aesculin (Esculin)

>  <Synonyms> (39)
Esculin

>  <Target> (39)
Others

>  <Form> (39)
Free Base

>  <CAS> (39)
531-75-9

>  <URL> (39)
http://www.selleckchem.com/products/Aesculin(Esculin).html

$$$$
Apigenin.cdx
csChFnd80/12062113222D

 20 22  0  0  0  0  0  0  0  0999 V2000
    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
    1.2082    3.4951    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  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    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
   10.8993    6.2903    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
  3  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  4  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  2  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
M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C15H10O5

>  <MolWeight> (40)
270.2369

>  <Cat> (40)
S2262

>  <Name> (40)
Apigenin

>  <Synonyms> (40)
N/A

>  <Target> (40)
P450

>  <Form> (40)
Free Base

>  <CAS> (40)
520-36-5

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

$$$$
Asiatic acid.cdx
csChFnd80/12062113222D

 38 42  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.5249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    3.1249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.1249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    4.5249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.5249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    5.2249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    5.2249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.6249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    7.3249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    8.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    8.7249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.8249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953   10.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.9249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.5297    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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  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  2  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 18  1  0  0  0  0
 18 12  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
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  1 23  1  6  0  0  0
  4 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 21 27  1  6  0  0  0
  3 28  1  6  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
  5 31  1  1  0  0  0
  9 32  1  1  0  0  0
 18 33  1  1  0  0  0
 22 34  1  1  0  0  0
 17 35  1  1  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 28 38  1  0  0  0  0
M  END
>  <Mol_ID> (41)
41

>  <Formula> (41)
C30H48O5

>  <MolWeight> (41)
488.69912

>  <Cat> (41)
S2266

>  <Name> (41)
Asiatic acid

>  <Synonyms> (41)
N/A

>  <Target> (41)
p38 MAPK

>  <Form> (41)
Free Base

>  <CAS> (41)
464-92-6

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

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/12062113222D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    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    2.7927    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
    2.4207    4.8927    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
    6.0580    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    7.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662    8.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7739    8.3621    0.0000 O   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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    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
    5.6214    0.0802    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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (42)
42

>  <Formula> (42)
C20H18ClNO4

>  <MolWeight> (42)
371.81422

>  <Cat> (42)
S2271

>  <Name> (42)
Berberine chloride

>  <Synonyms> (42)
N/A

>  <Target> (42)
Antifection

>  <Form> (42)
chloride

>  <CAS> (42)
633-65-8

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

$$$$
Glycyrrhizic acid.cdx
csChFnd80/12062113222D

 61 67  0  0  0  0  0  0  0  0999 V2000
    9.6869    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8993    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  1  0  0  0  0  0  0  0  0  0
   12.1117    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    8.3879    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
   14.5366    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3242    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7490    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7490    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9615    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9615   10.4879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3863   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3863   11.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9615   11.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9615    9.0879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739   11.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1639   13.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3763   12.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1159   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1993    4.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5993    4.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.7490    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1117    4.8879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    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
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 O   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
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  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  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
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
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 19 20  1  0  0  0  0
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 22 18  1  0  0  0  0
  2 23  1  1  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 18 26  1  1  0  0  0
 17 27  1  1  0  0  0
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 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
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  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
 23 34  1  0  0  0  0
 34 35  1  6  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 34  1  0  0  0  0
 21 40  1  6  0  0  0
 11 41  1  6  0  0  0
 10 42  1  6  0  0  0
  4 43  1  6  0  0  0
 37 44  1  6  0  0  0
 39 45  1  6  0  0  0
 45 46  1  0  0  0  0
 46 47  1  1  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 46  1  0  0  0  0
 36 52  1  1  0  0  0
 38 53  1  1  0  0  0
 50 54  1  1  0  0  0
 48 55  1  1  0  0  0
 49 56  1  6  0  0  0
 51 57  1  6  0  0  0
 55 58  1  0  0  0  0
 55 59  2  0  0  0  0
 52 60  1  0  0  0  0
 52 61  2  0  0  0  0
M  END
>  <Mol_ID> (43)
43

>  <Formula> (43)
C42H62O16

>  <MolWeight> (43)
822.93208

>  <Cat> (43)
S2302

>  <Name> (43)
Glycyrrhizin (Glycyrrhizic Acid)

>  <Synonyms> (43)
N/A

>  <Target> (43)
Others

>  <Form> (43)
Free Base

>  <CAS> (43)
1405-86-3

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

$$$$
Hesperetin.cdx
csChFnd80/12062113222D

 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> (44)
44

>  <Formula> (44)
C16H14O6

>  <MolWeight> (44)
302.27876

>  <Cat> (44)
S2308

>  <Name> (44)
Hesperetin

>  <Synonyms> (44)
N/A

>  <Target> (44)
Histamine Receptor

>  <Form> (44)
Free Base

>  <CAS> (44)
520-33-2

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

$$$$
Honokiol.cdx
csChFnd80/12062113222D

 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
    0.7000    3.6289    0.0000 O   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
    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
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.2082    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  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
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (45)
45

>  <Formula> (45)
C18H18O2

>  <MolWeight> (45)
266.33432

>  <Cat> (45)
S2310

>  <Name> (45)
Honokiol

>  <Synonyms> (45)
N/A

>  <Target> (45)
Akt, MEK

>  <Form> (45)
Free Base

>  <CAS> (45)
35354-74-6

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

$$$$
Myricetin.cdx
csChFnd80/12062113222D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2662    1.3976    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
   10.8993    6.2903    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    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 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
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (46)
46

>  <Formula> (46)
C15H10O8

>  <MolWeight> (46)
318.2351

>  <Cat> (46)
S2326

>  <Name> (46)
Myricetin (Cannabiscetin)

>  <Synonyms> (46)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (46)
NULL

>  <Form> (46)
Free Base

>  <CAS> (46)
529-44-2

>  <URL> (46)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

$$$$
Myricitrin.cdx
csChFnd80/12062113222D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 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
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (47)
47

>  <Formula> (47)
C21H20O12

>  <MolWeight> (47)
464.3763

>  <Cat> (47)
S2327

>  <Name> (47)
Myricitrin (Myricitrine)

>  <Synonyms> (47)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (47)
PKC

>  <Form> (47)
Free Base

>  <CAS> (47)
17912-87-7

>  <URL> (47)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/12062113222D

 22 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (48)
48

>  <Formula> (48)
C18H29ClN2O

>  <MolWeight> (48)
324.88866

>  <Cat> (48)
S2454

>  <Name> (48)
Bupivacaine hydrochloride (Marcain)

>  <Synonyms> (48)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (48)
Sodium Channel

>  <Form> (48)
Hydrochloride

>  <CAS> (48)
18010-40-7

>  <URL> (48)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

$$$$
TAK733.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (49)
49

>  <Formula> (49)
C17H15F2IN4O4

>  <MolWeight> (49)
504.2266764

>  <Cat> (49)
S2617

>  <Name> (49)
TAK-733

>  <Synonyms> (49)
N/A 

>  <Target> (49)
MEK

>  <Form> (49)
Free Base

>  <CAS> (49)
1035555-63-5

>  <URL> (49)
http://www.selleckchem.com/products/tak-733.html

$$$$
A-674563.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (50)
50

>  <Formula> (50)
C22H22N4O

>  <MolWeight> (50)
358.43628

>  <Cat> (50)
S2670

>  <Name> (50)
A-674563

>  <Synonyms> (50)
N/A

>  <Target> (50)
Akt, CDK, PKA

>  <Form> (50)
Free Base

>  <CAS> (50)
552325-73-2

>  <URL> (50)
http://www.selleckchem.com/products/a-674563.html

$$$$
untitled.cdx
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>  <Mol_ID> (51)
51

>  <Formula> (51)
C25H26ClN5O3

>  <MolWeight> (51)
479.95864

>  <Cat> (51)
S1012

>  <Name> (51)
BMS-536924

>  <Synonyms> (51)
N/A 

>  <Target> (51)
IGF-1R

>  <Form> (51)
Free Base

>  <CAS> (51)
468740-43-4

>  <URL> (51)
http://www.selleckchem.com/products/BMS-536924.html

$$$$
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871700-17-3

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http://www.selleckchem.com/products/gsk1120212-(jtp-74057).html

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Raf

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Free Base

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208260-29-1

>  <URL> (53)
http://www.selleckchem.com/products/zm-336372.html

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p38 MAPK

>  <Form> (54)
Free Base

>  <CAS> (54)
586379-66-0

>  <URL> (54)
http://www.selleckchem.com/products/ph-797804.html

$$$$
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Histamine Receptor

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137-58-6

>  <URL> (55)
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csChFnd80/12062113222D

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NF-¦ÊB

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sodium salt

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54-21-7

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

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JAK, EGFR

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211555-04-3

>  <URL> (57)
http://www.selleckchem.com/products/whi-p154.html

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S6 Kinase

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Free Base

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501437-28-1

>  <URL> (58)
http://www.selleckchem.com/products/bi-d1870.html

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p38 MAPK

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Free Base

>  <CAS> (59)
303162-79-0

>  <URL> (59)
http://www.selleckchem.com/products/tak-715.html

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1255517-76-0

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>  <Mol_ID> (62)
62

>  <Formula> (62)
C29H29N7O2

>  <MolWeight> (62)
507.58626

>  <Cat> (62)
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JNK-IN-8

>  <Synonyms> (62)
N/A

>  <Target> (62)
Free Base

>  <Form> (62)
Free Base

>  <CAS> (62)
1410880-22-6

>  <URL> (62)
http://www.selleckchem.com/products/jnk-in-8.html

$$$$
VX-745.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (63)
63

>  <Formula> (63)
C19H9Cl2F2N3OS

>  <MolWeight> (63)
436.2620664

>  <Cat> (63)
S1458

>  <Name> (63)
VX-745

>  <Synonyms> (63)
N/A

>  <Target> (63)
p38 MAPK 

>  <Form> (63)
Free Base

>  <CAS> (63)
209410-46-8

>  <URL> (63)
http://www.selleckchem.com/products/VX-745.html

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/12062113222D

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>  <Mol_ID> (64)
64

>  <Formula> (64)
C19H20F3IN2O5S

>  <MolWeight> (64)
572.3371796

>  <Cat> (64)
S1089

>  <Name> (64)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (64)
BAY 869766

>  <Target> (64)
MEK

>  <Form> (64)
Free Base

>  <CAS> (64)
923032-37-5

>  <URL> (64)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (65)
65

>  <Formula> (65)
C14H23ClN2O

>  <MolWeight> (65)
270.79822

>  <Cat> (65)
S4667

>  <Name> (65)
Lidocaine hydrochloride

>  <Synonyms> (65)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (65)
Others

>  <Form> (65)
hydrochloride

>  <CAS> (65)
73-78-9

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

$$$$
S3654 Tauroursodeoxycholic Acid.cdx
csChFnd80/12062113222D

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    1.2673    2.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4411    5.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8087    6.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2448    7.4505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7281    5.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3252    8.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7438    9.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8302   10.8281    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8675   11.7711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8811   11.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7810    9.8848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3976    2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1539    4.1968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278    2.0985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    0.0000    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 35  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 36  1  1  0  0  0
  3  7  1  0  0  0  0
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  3  9  1  1  0  0  0
  4 10  1  0  0  0  0
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  5 12  1  0  0  0  0
  5 37  1  6  0  0  0
  6 13  1  0  0  0  0
  6 14  1  1  0  0  0
  7 15  1  0  0  0  0
  7 10  1  1  0  0  0
  8 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  1  0  0  0
 13 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  6  0  0  0
 16 21  1  0  0  0  0
 16 38  1  1  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  6  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (66)
66

>  <Formula> (66)
C26H45NO6S

>  <MolWeight> (66)
499.7036

>  <Cat> (66)
S3654

>  <Name> (66)
Tauroursodeoxycholic Acid

>  <Synonyms> (66)
N/A

>  <Target> (66)
Others

>  <Form> (66)
free base

>  <CAS> (66)
14605-22-2

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

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/12062113222D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.6900    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    7.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0527    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    2.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    2.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    0.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    4.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1149    7.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    8.4134    0.0000 O   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
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  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
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (67)
67

>  <Formula> (67)
C16H16O4

>  <MolWeight> (67)
272.29584

>  <Cat> (67)
S3940

>  <Name> (67)
3'-Hydroxypterostilbene

>  <Synonyms> (67)
3'-HPT

>  <Target> (67)
Others

>  <Form> (67)
free base

>  <CAS> (67)
475231-21-1

>  <URL> (67)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3824 Quercitrin.cdx
csChFnd80/12062113222D

 32 35  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    5.6000    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
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    6.9967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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
    8.4927    8.3967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.2935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7070    9.0935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2821    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9138    6.9902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9175    8.3902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7107   10.4935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1318    9.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
 12  6  1  1  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  6  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  6  0  0  0
 26 31  1  6  0  0  0
 26 29  1  0  0  0  0
 29 32  1  1  0  0  0
M  END
>  <Mol_ID> (68)
68

>  <Formula> (68)
C21H20O11

>  <MolWeight> (68)
448.3769

>  <Cat> (68)
S3824

>  <Name> (68)
Quercitrin

>  <Synonyms> (68)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (68)
Others

>  <Form> (68)
free base

>  <CAS> (68)
522-12-3

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

$$$$
S3840 Baohuoside I.cdx
csChFnd80/12062113222D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  3 17  1  0  0  0  0
  7 18  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 29 34  1  1  0  0  0
 32 35  1  1  0  0  0
 30 36  1  1  0  0  0
 31 37  1  6  0  0  0
M  END
>  <Mol_ID> (69)
69

>  <Formula> (69)
C27H30O10

>  <MolWeight> (69)
514.5211

>  <Cat> (69)
S3840

>  <Name> (69)
Baohuoside I

>  <Synonyms> (69)
Icariside II

>  <Target> (69)
ROS

>  <CAS> (69)
113558-15-9

>  <URL> (69)
http://www.selleckchem.com/products/baohuoside-i.html

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/12062113222D

 72 78  0  0  0  0  0  0  0  0999 V2000
    6.0656    3.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6408    3.4994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6415    2.0994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8543    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4280    4.1987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    1.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2756    8.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    7.7006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0642    6.3006    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2770    5.6013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4891    6.3019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4884    7.7019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7004    8.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (70)
70

>  <Formula> (70)
C48H82O18

>  <MolWeight> (70)
947.15388

>  <Cat> (70)
S3811

>  <Name> (70)
Ginsenoside Re

>  <Synonyms> (70)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (70)
Others

>  <Form> (70)
free base

>  <CAS> (70)
52286-59-6

>  <URL> (70)
http://www.selleckchem.com/products/ginsenoside-re.html

$$$$
S3892 Isopsoralen.cdx
csChFnd80/12062113222D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (71)
71

>  <Formula> (71)
C11H6O3

>  <MolWeight> (71)
186.16354

>  <Cat> (71)
S3892

>  <Name> (71)
Isopsoralen

>  <Synonyms> (71)
angelicin

>  <Target> (71)
Immunology & Inflammation related

>  <Form> (71)
free base

>  <CAS> (71)
523-50-2

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

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/12062113222D

 58 65  0  0  0  0  0  0  0  0999 V2000
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 30 25  1  1  0  0  0
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 38 39  1  0  0  0  0
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 29 58  1  6  0  0  0
M  END
>  <Mol_ID> (72)
72

>  <Formula> (72)
C41H68O14

>  <MolWeight> (72)
784.97022

>  <Cat> (72)
S3901

>  <Name> (72)
Astragaloside IV

>  <Synonyms> (72)
AST-IV, AS-IV

>  <Target> (72)
Others

>  <Form> (72)
free base

>  <CAS> (72)
84687-43-4

>  <URL> (72)
http://www.selleckchem.com/products/sastragaloside-iv.html

$$$$
LY364947.cdx
csChFnd80/12062113222D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (73)
73

>  <Formula> (73)
C17H12N4

>  <MolWeight> (73)
272.30398

>  <Cat> (73)
S2805

>  <Name> (73)
LY364947

>  <Synonyms> (73)
N/A

>  <Target> (73)
TGF-beta/Smad

>  <Form> (73)
Free Base

>  <CAS> (73)
396129-53-6

>  <URL> (73)
http://www.selleckchem.com/products/ly364947.html

$$$$
P505-15.cdx
csChFnd80/12062113222D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (74)
74

>  <Formula> (74)
C19H24ClN9O

>  <MolWeight> (74)
429.90656

>  <Cat> (74)
S8032

>  <Name> (74)
PRT062607 (P505-15, PRT2607, BIIB057) HCl

>  <Synonyms> (74)
N/A

>  <Target> (74)
Syk

>  <Form> (74)
Hydrochloride

>  <CAS> (74)
1370261-97-4,1370261-96-3(free base)

>  <URL> (74)
https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

$$$$
S4990 TBHQ.cdx
csChFnd80/12062113222D

 12 12  0  0  0  0  0  0  0  0999 V2000
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    4.8208    3.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1982    3.2629    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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  1  4  1  0  0  0  0
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  2  6  2  0  0  0  0
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  6  8  1  0  0  0  0
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  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (75)
75

>  <Formula> (75)
C10H14O2

>  <MolWeight> (75)
166.21696

>  <Cat> (75)
S4990

>  <Name> (75)
TBHQ

>  <Synonyms> (75)
Tert-butylhydroquinone

>  <Target> (75)
Nrf2

>  <Form> (75)
free base

>  <CAS> (75)
1948-33-0

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

$$$$
S4953 Usnic acid.cdx
csChFnd80/12062113222D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    3.6216    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4217    1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (76)
76

>  <Formula> (76)
C18H16O7

>  <MolWeight> (76)
344.31544

>  <Cat> (76)
S4953

>  <Name> (76)
Usnic acid

>  <Synonyms> (76)
Usniacin

>  <Target> (76)
Others

>  <Form> (76)
free base

>  <CAS> (76)
125-46-2

>  <URL> (76)
http://selleckchem.com/products/usnic-acid.html

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/12062113222D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
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  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (77)
77

>  <Formula> (77)
C10H13N5O

>  <MolWeight> (77)
219.24312

>  <Cat> (77)
S4884

>  <Name> (77)
Trans-Zeatin

>  <Synonyms> (77)
(E)-Zeatin

>  <Target> (77)
Others

>  <CAS> (77)
1637-39-4

>  <URL> (77)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4959 Skatole.cdx
csChFnd80/12062113222D

 10 11  0  0  0  0  0  0  0  0999 V2000
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  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (78)
78

>  <Formula> (78)
C9H9N

>  <MolWeight> (78)
131.17446

>  <Cat> (78)
S4959

>  <Name> (78)
Skatole

>  <Synonyms> (78)
3-methylindole, Scatole

>  <Target> (78)
Anti-infection

>  <CAS> (78)
83-34-1

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

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/12062113222D

 68 74  0  0  0  0  0  0  0  0999 V2000
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80418-24-2

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745833-23-2

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N/A

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Antifection

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sodium salt

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35807-85-3

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193551-21-2

>  <URL> (87)
http://www.selleckchem.com/products/sb239063.html

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N/A

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Akt

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Free Base

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1616632-77-9

>  <URL> (88)
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M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C52H86O21

>  <MolWeight> (89)
1047.22664

>  <Cat> (89)
S5151

>  <Name> (89)
Gypenoside

>  <Synonyms> (89)
N/A

>  <Target> (89)
Others

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

$$$$
S3813 Bakuchiol.cdx
csChFnd80/12062113222D

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M  END
>  <Mol_ID> (90)
90

>  <Formula> (90)
C18H24O

>  <MolWeight> (90)
256.38256

>  <Cat> (90)
S3813

>  <Name> (90)
Bakuchiol

>  <Synonyms> (90)
(S)-(+)-Bakuchiol

>  <Target> (90)
Immunology & Inflammation related

>  <Form> (90)
free base

>  <CAS> (90)
10309-37-2

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

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/12062113222D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (91)
91

>  <Formula> (91)
C17H15BrF2N4O3

>  <MolWeight> (91)
441.2268064

>  <Cat> (91)
S7007

>  <Name> (91)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (91)
N/A

>  <Target> (91)
MEK

>  <Form> (91)
Free Base

>  <CAS> (91)
606143-89-9

>  <URL> (91)
http://www.selleckchem.com/products/mek162.html

$$$$
TIC10.cdx
csChFnd80/12062113222D

 29 33  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  8  9  1  0  0  0  0
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 13  8  1  0  0  0  0
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 17 12  1  0  0  0  0
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M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C24H26N4O

>  <MolWeight> (92)
386.48944

>  <Cat> (92)
S7127

>  <Name> (92)
TIC10 analogue

>  <Synonyms> (92)
TRAIL-inducing Compound 10

>  <Target> (92)
Akt

>  <Form> (92)
Free Base

>  <CAS> (92)
41276-02-2

>  <URL> (92)
http://www.selleckchem.com/products/tic10.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/12062113222D

 38 41  0  0  0  0  0  0  0  0999 V2000
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Bisindolylmaleimide IX Mesylate

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PKC

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138489-18-6

>  <URL> (93)
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p38 MAPK

>  <Form> (94)
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1221485-83-1

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

$$$$
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Raf

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1228591-30-7

>  <URL> (95)
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Sorafenib.cdx
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Raf

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Free Base

>  <CAS> (96)
284461-73-0

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

$$$$
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>  <Target> (97)
Rho

>  <Form> (97)
Free Base

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No

>  <URL> (97)
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CGP 57380

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N/A

>  <Target> (98)
MNK

>  <Form> (98)
Free Base

>  <CAS> (98)
522629-08-9

>  <URL> (98)
http://www.selleckchem.com/products/cgp57380.html

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C28H33N7O2

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AZD9291

>  <Synonyms> (99)
N/A

>  <Target> (99)
EGFR

>  <Form> (99)
Free Base

>  <CAS> (99)
1421373-65-0

>  <URL> (99)
http://www.selleckchem.com/products/azd9291.html

$$$$
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p38 MAPK

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585543-15-3

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101

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ERK

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Free Base

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1234480-50-2

>  <URL> (101)
http://www.selleckchem.com/products/xmd8-92.html

$$$$
FR 180204.cdx
csChFnd80/12062113222D

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M  END
>  <Mol_ID> (102)
102

>  <Formula> (102)
C18H13N7

>  <MolWeight> (102)
327.34272

>  <Cat> (102)
S7524

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FR 180204

>  <Synonyms> (102)
N/A

>  <Target> (102)
ERK

>  <Form> (102)
Free Base

>  <CAS> (102)
865362-74-9

>  <URL> (102)
http://www.selleckchem.com/products/fr180204.html

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (103)
103

>  <Formula> (103)
C16H21ClIN3O4S

>  <MolWeight> (103)
513.77811

>  <Cat> (103)
S7332

>  <Name> (103)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (103)
N/A

>  <Target> (103)
Rho

>  <Form> (103)
Free Base

>  <CAS> (103)
1469337-91-4

>  <URL> (103)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
deltarasin.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (104)
104

>  <Formula> (104)
C40H37N5O

>  <MolWeight> (104)
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>  <Cat> (104)
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>  <Name> (104)
Deltarasin

>  <Synonyms> (104)
N/A

>  <Target> (104)
PDE

>  <Form> (104)
Free Base

>  <CAS> (104)
1440898-61-2

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

$$$$
6H05.cdx
csChFnd80/12062113222D

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M  END
>  <Mol_ID> (105)
105

>  <Formula> (105)
C22H31ClF3N3O4S3

>  <MolWeight> (105)
590.1424496

>  <Cat> (105)
S7330

>  <Name> (105)
6H05

>  <Synonyms> (105)
N/A

>  <Target> (105)
Rho

>  <Form> (105)
Free Base

>  <CAS> (105)
No

>  <URL> (105)
http://www.selleckchem.com/products/6h05.html

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/12062113222D

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M  END
>  <Mol_ID> (106)
106

>  <Formula> (106)
C15H17ClIN3O3

>  <MolWeight> (106)
449.67125

>  <Cat> (106)
S7331

>  <Name> (106)
K-Ras(G12C) inhibitor 12

>  <Synonyms> (106)
N/A

>  <Target> (106)
Rho

>  <Form> (106)
Free Base

>  <CAS> (106)
1469337-95-8

>  <URL> (106)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

$$$$
URMC-099.cdx
csChFnd80/12062113222D

 32 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (107)
107

>  <Formula> (107)
C27H27N5

>  <MolWeight> (107)
421.53678

>  <Cat> (107)
S7343

>  <Name> (107)
URMC-099

>  <Synonyms> (107)
N/A

>  <Target> (107)
Others

>  <Form> (107)
Free Base

>  <CAS> (107)
1229582-33-5

>  <URL> (107)
http://www.selleckchem.com/products/urmc-099.html

$$$$
JNK Inhibitor IX.cdx
csChFnd80/12062113222D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10 11  3  0  0  0  0
M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C20H16N2OS

>  <MolWeight> (108)
332.41884

>  <Cat> (108)
S7508

>  <Name> (108)
JNK inhibitor IX

>  <Synonyms> (108)
TCS JNK 5a

>  <Target> (108)
JNK

>  <Form> (108)
Free Base

>  <CAS> (108)
312917-14-9

>  <URL> (108)
http://www.selleckchem.com/products/jnk-inhibitor-ix.html

$$$$
DTP3.cdx
csChFnd80/12062113222D

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JNK

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no

>  <URL> (109)
http://www.selleckchem.com/products/dtp3.html

$$$$
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>  <Mol_ID> (110)
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>  <Formula> (110)
C22H21N3O3S

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ML141

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CID-2950007

>  <Target> (110)
Rho

>  <Form> (110)
Free Base

>  <CAS> (110)
71203-35-5

>  <URL> (110)
http://www.selleckchem.com/products/ml141.html

$$$$
Piperlongumine.cdx
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>  <Mol_ID> (111)
111

>  <Formula> (111)
C17H19NO5

>  <MolWeight> (111)
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Piperlongumine

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PPLGM

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ROS,CRM

>  <Form> (111)
Free Base

>  <CAS> (111)
20069-09-4

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

$$$$
AT13148.cdx
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112

>  <Formula> (112)
C17H16ClN3O

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Akt

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1056901-62-2

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http://www.selleckchem.com/products/at13148.html

$$$$
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>  <Mol_ID> (113)
113

>  <Formula> (113)
C22H30O2S

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Rho

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Free Base

>  <CAS> (113)
162520-00-5

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

$$$$
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S6 Kinase

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Free Base

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1082949-68-5

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http://www.selleckchem.com/products/ly2584702-tosylate.html

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BQU57.cdx
csChFnd80/12062113222D

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BQU57

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Rho

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Free Base

>  <CAS> (115)
1637739-82-2

>  <URL> (115)
http://www.selleckchem.com/products/bqu57.html

$$$$
Anisomycin.cdx
csChFnd80/12062113222D

 19 20  0  0  0  0  0  0  0  0999 V2000
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Flagecidin 

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JNK

>  <Form> (116)
Free Base

>  <CAS> (116)
22862-76-6

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

$$$$
ERK5-IN-1.cdx
csChFnd80/12062113222D

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ERK5-IN-1

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1435488-37-1

>  <URL> (117)
http://www.selleckchem.com/products/erk5-in-1.html

$$$$
ARRY-614.cdx
csChFnd80/12062113222D

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M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C31H33FN6O3

>  <MolWeight> (118)
556.6305232

>  <Cat> (118)
S7799

>  <Name> (118)
Pexmetinib (ARRY-614)

>  <Synonyms> (118)
N/A

>  <Target> (118)
p38 MAPK

>  <Form> (118)
Free Base

>  <CAS> (118)
945614-12-0

>  <URL> (118)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

$$$$
LY3009120.cdx
csChFnd80/12062113222D

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M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C23H29FN6O

>  <MolWeight> (119)
424.5143632

>  <Cat> (119)
S7842

>  <Name> (119)
LY3009120

>  <Synonyms> (119)
N/A

>  <Target> (119)
Raf

>  <Form> (119)
Free Base

>  <CAS> (119)
1454682-72-4

>  <URL> (119)
http://www.selleckchem.com/products/ly3009120.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/12062113222D

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M  END
>  <Mol_ID> (120)
120

>  <Formula> (120)
C21H21F3IN3O2

>  <MolWeight> (120)
531.3100196

>  <Cat> (120)
S8041

>  <Name> (120)
Cobimetinib (GDC-0973, RG7420)

>  <Synonyms> (120)
XL518

>  <Target> (120)
MEK

>  <Form> (120)
Free Base

>  <CAS> (120)
934660-93-2

>  <URL> (120)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BVD-523.cdx
csChFnd80/12062113222D

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>  <URL> (121)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

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Licochalcone A

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Estrogen/progestogen Receptor

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Free Base

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58749-22-7

>  <URL> (122)
http://www.selleckchem.com/products/licochalcone-a.html

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N/A

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ERK

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Free Base

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181223-80-3

>  <URL> (123)
http://www.selleckchem.com/products/del-22379.html

$$$$
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Raf

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Free Base

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946128-88-7

>  <URL> (124)
http://www.selleckchem.com/products/ro5126766-ch5126766.html

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ERK

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839707-37-8

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NQDI-1

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Caspase

>  <Form> (134)
Free Base

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175026-96-7

>  <URL> (134)
http://www.selleckchem.com/products/nqdi-1.html

$$$$
Kobe0065.cdx
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Rho

>  <Form> (135)
Free Base

>  <CAS> (135)
436133-68-5

>  <URL> (135)
http://www.selleckchem.com/products/kobe0065.html

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/12062113222D

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>  <Name> (136)
Selonsertib (GS-4997)

>  <Synonyms> (136)
N/A

>  <Target> (136)
Caspase

>  <Form> (136)
Free Base

>  <CAS> (136)
1448428-04-3

>  <URL> (136)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

$$$$
SIS3.cdx
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SIS3 HCl

>  <Synonyms> (137)
N/A

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TGF-beta/Smad

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hydrochloride

>  <CAS> (137)
521984-48-5

>  <URL> (137)
http://www.selleckchem.com/products/sis3.html

$$$$
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M  END
>  <Mol_ID> (138)
138

>  <Formula> (138)
C18H15N5O6S2

>  <MolWeight> (138)
461.4716

>  <Cat> (138)
S8251

>  <Name> (138)
Necrosulfonamide

>  <Synonyms> (138)
N/A

>  <Target> (138)
Others

>  <Form> (138)
Free Base

>  <CAS> (138)
1360614-48-7

>  <URL> (138)
http://www.selleckchem.com/products/necrosulfonamide.html

$$$$
APS-2-79.cdx
csChFnd80/12062113222D

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M  END
>  <Mol_ID> (139)
139

>  <Formula> (139)
C23H22ClN3O3

>  <MolWeight> (139)
423.89208

>  <Cat> (139)
S8355

>  <Name> (139)
APS-2-79 HCl

>  <Synonyms> (139)
N/A

>  <Target> (139)
MEK

>  <Form> (139)
hydrochloride

>  <CAS> (139)
2002381-31-7

>  <URL> (139)
http://www.selleckchem.com/products/aps-2-79.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/12062113222D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (140)
140

>  <Formula> (140)
C22H15F3N4O2

>  <MolWeight> (140)
424.3753096

>  <Cat> (140)
S8189

>  <Name> (140)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (140)
N/A

>  <Target> (140)
VEGFR

>  <Form> (140)
Free Base

>  <CAS> (140)
861875-60-7

>  <URL> (140)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (141)
141

>  <Formula> (141)
C19H20F2N4O4

>  <MolWeight> (141)
406.3833064

>  <Cat> (141)
S8125

>  <Name> (141)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (141)
N/A

>  <Target> (141)
p38 MAPK

>  <Form> (141)
Free Base

>  <CAS> (141)
449811-01-2

>  <URL> (141)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
OTS514.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (142)
142

>  <Formula> (142)
C21H21ClN2O2S

>  <MolWeight> (142)
400.92164

>  <Cat> (142)
S7652

>  <Name> (142)
OTS514 hydrochloride

>  <Synonyms> (142)
N/A

>  <Target> (142)
TOPK

>  <Form> (142)
hydrochloride

>  <CAS> (142)
1338540-63-8(free base)

>  <URL> (142)
http://www.selleckchem.com/products/ots514.html

$$$$
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>  <Mol_ID> (143)
143

>  <Formula> (143)
C17H20N6O2

>  <MolWeight> (143)
340.3797

>  <Cat> (143)
S8275

>  <Name> (143)
eFT-508 (eFT508)

>  <Synonyms> (143)
N/A

>  <Target> (143)
MNK

>  <Form> (143)
Free Base

>  <CAS> (143)
1849590-01-7

>  <URL> (143)
http://www.selleckchem.com/products/eft-508.html

$$$$
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>  <Mol_ID> (144)
144

>  <Formula> (144)
C27H24FN7O3

>  <MolWeight> (144)
513.5229632

>  <Cat> (144)
S7743

>  <Name> (144)
CCT196969

>  <Synonyms> (144)
N/A

>  <Target> (144)
Raf

>  <Form> (144)
Free Base

>  <CAS> (144)
1163719-56-9

>  <URL> (144)
http://www.selleckchem.com/products/cct196969.html

$$$$
OTS964.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (145)
145

>  <Formula> (145)
C23H26Cl2N2O2S

>  <MolWeight> (145)
465.43574

>  <Cat> (145)
S7648

>  <Name> (145)
OTS964

>  <Synonyms> (145)
N/A

>  <Target> (145)
Others

>  <Form> (145)
dihydrochloride

>  <CAS> (145)
1338545-07-5(HCl salt)

>  <URL> (145)
http://www.selleckchem.com/products/ots964.html

$$$$
CC-930.cdx
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1629268-00-3

>  <URL> (147)
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Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

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free base

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1384071-99-1

>  <URL> (148)
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>  <URL> (149)
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M  END
>  <Mol_ID> (150)
150

>  <Formula> (150)
C24H24N6O2

>  <MolWeight> (150)
428.48636

>  <Cat> (150)
S8541

>  <Name> (150)
FM-381

>  <Synonyms> (150)
N/A

>  <Target> (150)
JAK3

>  <Form> (150)
free base

>  <CAS> (150)
No

>  <URL> (150)
http://www.selleckchem.com/products/fm-381.html

$$$$
Takinib.cdx
csChFnd80/12062113222D

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M  END
>  <Mol_ID> (151)
151

>  <Formula> (151)
C18H18N4O2

>  <MolWeight> (151)
322.36112

>  <Cat> (151)
S8663

>  <Name> (151)
Takinib

>  <Synonyms> (151)
EDHS-206

>  <Target> (151)
TAK1,IRAK4,IRAK1

>  <Form> (151)
free base

>  <CAS> (151)
1111556-37-6

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

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (152)
152

>  <Formula> (152)
C21H17ClF4N4O4

>  <MolWeight> (152)
500.8306928

>  <Cat> (152)
S5077

>  <Name> (152)
Regorafenib Monohydrate

>  <Synonyms> (152)
N/A

>  <Target> (152)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (152)
monohydrate

>  <CAS> (152)
1019206-88-2

>  <URL> (152)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
RAF709.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (153)
153

>  <Formula> (153)
C28H29F3N4O4

>  <MolWeight> (153)
542.5494696

>  <Cat> (153)
S8690

>  <Name> (153)
RAF709

>  <Synonyms> (153)
N/A

>  <Target> (153)
Raf

>  <Form> (153)
free base

>  <CAS> (153)
1628838-42-5

>  <URL> (153)
http://selleckchem.com/products/raf709.html

$$$$
Cu-CPT22.cdx
csChFnd80/12062113222D

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  2  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
  6 15  1  0  0  0  0
  5 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 19 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (154)
154

>  <Formula> (154)
C19H22O7

>  <MolWeight> (154)
362.37378

>  <Cat> (154)
S8677

>  <Name> (154)
Cu-CPT22

>  <Synonyms> (154)
N/A

>  <Target> (154)
TLR

>  <Form> (154)
free base

>  <CAS> (154)
1416324-85-0

>  <URL> (154)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/12062113222D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6324    3.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1009    1.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  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  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  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (155)
155

>  <Formula> (155)
C23H26ClN

>  <MolWeight> (155)
351.91224

>  <Cat> (155)
S5279

>  <Name> (155)
Fendiline hydrochloride

>  <Synonyms> (155)
N/A

>  <Target> (155)
Calcium Channel,Ras

>  <Form> (155)
hydrochloride 

>  <CAS> (155)
13636-18-5

>  <URL> (155)
http://selleckchem.com/products/fendiline-hydrochloride.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/12062113222D

 26 29  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  2  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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.6061    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4081    6.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    3.5000    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  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  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  2  0  0  0  0
 10 19  1  6  0  0  0
 12 20  1  1  0  0  0
  9 21  1  1  0  0  0
 11 22  1  6  0  0  0
  5 23  1  1  0  0  0
 17 24  2  0  0  0  0
 24 25  1  4  0  0  0
 16 26  2  0  0  0  0
M  END
>  <Mol_ID> (156)
156

>  <Formula> (156)
C21H28O2

>  <MolWeight> (156)
312.44582

>  <Cat> (156)
S3792

>  <Name> (156)
Guggulsterone E&Z

>  <Synonyms> (156)
N/A

>  <Target> (156)
FXR

>  <Form> (156)
free base

>  <CAS> (156)
95975-55-6

>  <URL> (156)
http://selleckchem.com/products/guggulsterone.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/12062113222D

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.9777    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.1777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9373    5.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    2.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.6777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9784    4.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2152    6.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7847    7.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    7.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1470    8.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7947    8.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8517    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8921    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6010    2.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2236    0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7938    3.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    3.4356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   18.5938    3.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    2.0356    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  8  2  0  0  0  0
  8  1  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 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
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 21 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 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 33 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (157)
157

>  <Formula> (157)
C24H24F3N5O5S3

>  <MolWeight> (157)
615.6680696

>  <Cat> (157)
S5069

>  <Name> (157)
Dabrafenib Mesylate

>  <Synonyms> (157)
GSK2118436 Mesylate

>  <Target> (157)
Raf

>  <Form> (157)
mesylate

>  <CAS> (157)
1195768-06-9

>  <URL> (157)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/12062113222D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.5219    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    2.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737    2.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610    1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    2.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    3.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629    4.2855    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  1  0  0  0  0
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  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
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (158)
158

>  <Formula> (158)
C11H12O4

>  <MolWeight> (158)
208.21058

>  <Cat> (158)
S5451

>  <Name> (158)
Ferulic acid methyl ester

>  <Synonyms> (158)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (158)
Immunology & Inflammation related

>  <Form> (158)
free base

>  <CAS> (158)
149567

>  <URL> (158)
http://selleckchem.com/products/ferulic-acid-methylester.html

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/12062113222D

 42 46  0  0  0  0  0  0  0  0999 V2000
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
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  1 20  1  0  0  0  0
  8 21  1  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (159)
159

>  <Formula> (159)
C27H30O15

>  <MolWeight> (159)
594.5181

>  <Cat> (159)
S5468

>  <Name> (159)
Kaempferol-3-O-glucorhamnoside

>  <Synonyms> (159)
Kaempferol 3-neohesperidoside

>  <Target> (159)
Others

>  <Form> (159)
salt

>  <CAS> (159)
40437-72-7

>  <URL> (159)
http://selleckchem.com/products/kaempferol-3-o-glucorhamnoside.html

$$$$
UM-164.cdx
csChFnd80/12062113222D

 45 49  0  0  0  0  0  0  0  0999 V2000
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   21.1546    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 43  1  0  0  0  0
 34 44  1  0  0  0  0
 34 45  1  0  0  0  0
M  END
>  <Mol_ID> (160)
160

>  <Formula> (160)
C30H31F3N8O3S

>  <MolWeight> (160)
640.6791496

>  <Cat> (160)
S8706

>  <Name> (160)
UM-164

>  <Synonyms> (160)
N/A

>  <Target> (160)
Src,p38 MAPK

>  <Form> (160)
free base

>  <CAS> (160)
903564-48-7

>  <URL> (160)
http://selleckchem.com/products/um-164.html

$$$$
S5373 Pseudolaric Acid B.cdx
csChFnd80/12062113222D

 32 34  0  0  0  0  0  0  0  0999 V2000
    7.1943    7.1047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1943    8.5047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3730    6.4101    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2523    6.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1943    5.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8680    9.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6045    7.0731    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8047    7.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6102    6.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9944    4.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3730   10.5467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2523    9.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4625    6.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3155    7.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3788    8.2889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3096    1.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  9  1  0  0  0  0
  3 10  1  6  0  0  0
  3 32  1  0  0  0  0
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  5 12  1  0  0  0  0
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  6 14  2  0  0  0  0
  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
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 11 18  1  0  0  0  0
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 15 18  2  0  0  0  0
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 18 22  1  0  0  0  0
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M  END
>  <Mol_ID> (161)
161

>  <Formula> (161)
C23H28O8

>  <MolWeight> (161)
432.46362

>  <Cat> (161)
S5373

>  <Name> (161)
Pseudolaric Acid B

>  <Synonyms> (161)
N/A

>  <Target> (161)
p38

>  <Form> (161)
S5369

>  <CAS> (161)
82508-31-4 

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

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/12062113222D

 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
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (162)
162

>  <Formula> (162)
C8H8O3

>  <MolWeight> (162)
152.14732

>  <Cat> (162)
S9374

>  <Name> (162)
2',5'-Dihydroxyacetophenone

>  <CAS> (162)
490-78-8

$$$$
S9385 Ligustilide.cdx
csChFnd80/12062113222D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4307    3.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7297    3.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    3.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    1.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (163)
163

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C12H14O2

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190.23836

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S9385

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Ligustilide

>  <CAS> (163)
4431-01-0

$$$$
S9408 Beta-Elemonic.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (164)
164

>  <Formula> (164)
C30H46O3

>  <MolWeight> (164)
454.68444

>  <Cat> (164)
S9408

>  <Name> (164)
Beta-Elemonic

>  <Form> (164)
free base

>  <CAS> (164)
28282-25-9

$$$$
S9430 Tomatidine.cdx
csChFnd80/12062113222D

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>  <Mol_ID> (165)
165

>  <Formula> (165)
C27H46ClNO2

>  <MolWeight> (165)
452.11264

>  <Cat> (165)
S9430

>  <Name> (165)
Tomatidine

>  <Form> (165)
free base

>  <CAS> (165)
6192-62-7

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/12062113222D

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M  END
>  <Mol_ID> (166)
166

>  <Formula> (166)
C22H24NO4+

>  <MolWeight> (166)
366.43026

>  <Cat> (166)
S9431

>  <Name> (166)
Dehydrocorydalin

>  <Form> (166)
free base

>  <CAS> (166)
30045-16-0

$$$$

csChFnd80/12062113222D

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 20 26  1  0  0  0  0
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 28 29  1  0  0  0  0
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 37 31  1  0  0  0  0
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M  END
>  <Mol_ID> (167)
167

>  <Formula> (167)
C25H21F3N6O3S

>  <MolWeight> (167)
542.5328496

>  <Cat> (167)
S7965

>  <Name> (167)
PLX8394

>  <Synonyms> (167)
N/A

>  <Target> (167)
Raf

>  <Form> (167)
Free Base

>  <CAS> (167)
1393466-87-9

>  <URL> (167)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/12062113222D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 12  7  2  0  0  0  0
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M  END
>  <Mol_ID> (168)
168

>  <Formula> (168)
C20H16N4O

>  <MolWeight> (168)
328.36724

>  <Cat> (168)
S8729

>  <Name> (168)
AZ32

>  <Synonyms> (168)
N/A

>  <Target> (168)
ATM/ATR

>  <Form> (168)
Free Base

>  <CAS> (168)
No CAS

>  <URL> (168)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/12062113222D

 36 39  0  0  0  0  0  0  0  0999 V2000
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 22 17  1  0  0  0  0
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 29 30  1  0  0  0  0
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 32 23  1  0  0  0  0
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M  END
>  <Mol_ID> (169)
169

>  <Formula> (169)
C25H25F3N4O4

>  <MolWeight> (169)
502.4856096

>  <Cat> (169)
S8745

>  <Name> (169)
LXH254

>  <Synonyms> (169)
N/A

>  <Target> (169)
Raf

>  <Form> (169)
Free Base

>  <CAS> (169)
1800398-38-2

>  <URL> (169)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/12062113222D

 30 31  0  0  0  0  0  0  0  0999 V2000
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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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 18 11  1  0  0  0  0
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 23 13  1  0  0  0  0
  7 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
 16 28  1  0  0  0  0
 21 29  1  0  0  0  0
M  END
>  <Mol_ID> (170)
170

>  <Formula> (170)
C23H24ClF2NO3

>  <MolWeight> (170)
435.8913664

>  <Cat> (170)
S8756

>  <Name> (170)
XRK3F2

>  <Synonyms> (170)
N/A

>  <Target> (170)
Others

>  <Form> (170)
Free Base

>  <CAS> (170)
No CAS

>  <URL> (170)
http://www.selleckchem.com/products/xrk3f2.html

$$$$
S9061 Hydroxy safflor yellow A.cdx
csChFnd80/12062113222D

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M  END
>  <Mol_ID> (171)
171

>  <Formula> (171)
C27H32O16

>  <MolWeight> (171)
612.53338

>  <Cat> (171)
S9061

>  <Name> (171)
Hydroxy safflor yellow A

>  <Form> (171)
free base

>  <CAS> (171)
78281-02-4

$$$$
S9075 Mulberroside A.cdx
csChFnd80/12062113222D

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M  END
>  <Mol_ID> (172)
172

>  <Formula> (172)
C26H32O14

>  <MolWeight> (172)
568.52388

>  <Cat> (172)
S9075

>  <Name> (172)
Mulberroside A

>  <Form> (172)
free base

>  <CAS> (172)
102841-42-9

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/12062113222D

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M  END
>  <Mol_ID> (173)
173

>  <Formula> (173)
C21H20O6

>  <MolWeight> (173)
368.3799

>  <Cat> (173)
S9080

>  <Name> (173)
Anhydroicaritin

>  <Form> (173)
free base

>  <CAS> (173)
118525-40-9

$$$$
S9084 Rhoifolin.cdx
csChFnd80/12062113222D

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M  END
>  <Mol_ID> (174)
174

>  <Formula> (174)
C27H30O14

>  <MolWeight> (174)
578.5187

>  <Cat> (174)
S9084

>  <Name> (174)
Rhoifolin

>  <Form> (174)
free base

>  <CAS> (174)
17306-46-6

$$$$
S9091 10-Gingerol.cdx
csChFnd80/12062113222D

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M  END
>  <Mol_ID> (179)
179

>  <Formula> (179)
C44H70O16

>  <MolWeight> (179)
855.017

>  <Cat> (179)
S9114

>  <Name> (179)
Polyphyllin I

>  <Form> (179)
free base

>  <CAS> (179)
50773-41-6

$$$$
S9127 Carnosol.cdx
csChFnd80/12062113222D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (180)
180

>  <Formula> (180)
C20H26O4

>  <MolWeight> (180)
330.41804

>  <Cat> (180)
S9127

>  <Name> (180)
Carnosol

>  <Form> (180)
free base

>  <CAS> (180)
5957-80-2

$$$$
S9183 Ruscogenin.cdx
csChFnd80/12062113222D

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M  END
>  <Mol_ID> (181)
181

>  <Formula> (181)
C27H42O4

>  <MolWeight> (181)
430.61998

>  <Cat> (181)
S9183

>  <Name> (181)
Ruscogenin

>  <Form> (181)
free base

>  <CAS> (181)
472-11-7

$$$$
S9185 Nitidine Chloride.cdx
csChFnd80/12062113222D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (182)
182

>  <Formula> (182)
C21H18ClNO4

>  <MolWeight> (182)
383.82492

>  <Cat> (182)
S9185

>  <Name> (182)
Nitidine Chloride

>  <Form> (182)
free base

>  <CAS> (182)
13063-04-2

$$$$
S9246 Tiliroside.cdx
csChFnd80/12062113222D

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  1  2  2  0  0  0  0
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 12  6  1  6  0  0  0
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M  END
>  <Mol_ID> (183)
183

>  <Formula> (183)
C30H26O13

>  <MolWeight> (183)
594.51964

>  <Cat> (183)
S9246

>  <Name> (183)
Tiliroside

>  <Form> (183)
free base

>  <CAS> (183)
20316-62-5

$$$$
S9281 Peimine.cdx
csChFnd80/12062113222D

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   10.1512    9.1712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 18 21  1  1  0  0  0
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M  END
>  <Mol_ID> (184)
184

>  <Formula> (184)
C27H45NO3

>  <MolWeight> (184)
431.6511

>  <Cat> (184)
S9281

>  <Name> (184)
Peimine

>  <Form> (184)
free base

>  <CAS> (184)
23496-41-5

$$$$
S9287 Genkwanin.cdx
csChFnd80/12062113222D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8520    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (185)
185

>  <Formula> (185)
C16H12O5

>  <MolWeight> (185)
284.26348

>  <Cat> (185)
S9287

>  <Name> (185)
Genkwanin

>  <Form> (185)
free base

>  <CAS> (185)
437-64-9

$$$$
S9307 Shanzhiside methyl ester.cdx
csChFnd80/12062113222D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  1  0  0  0
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M  END
>  <Mol_ID> (186)
186

>  <Formula> (186)
C17H26O11

>  <MolWeight> (186)
406.38174

>  <Cat> (186)
S9307

>  <Name> (186)
Shanzhiside methyl ester

>  <Form> (186)
free base

>  <CAS> (186)
64421-28-9

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/12062113222D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (187)
187

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C21H22O7

>  <MolWeight> (187)
386.39518

>  <Cat> (187)
S9315

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Praeruptorin A

>  <Form> (187)
free base

>  <CAS> (187)
73069-25-7

$$$$
S9035 Isovitexin.cdx
csChFnd80/12062113222D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (188)
188

>  <Formula> (188)
C21H20O10

>  <MolWeight> (188)
432.3775

>  <Cat> (188)
S9035

>  <Name> (188)
Isovitexin

>  <Form> (188)
free base

>  <CAS> (188)
29702-25-8

$$$$
S9328 5,6,7-Trimethoxyflavone.cdx
csChFnd80/12062113222D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (189)
189

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C18H16O5

>  <MolWeight> (189)
312.31664

>  <Cat> (189)
S9328

>  <Name> (189)
5,6,7-Trimethoxyflavone

>  <Form> (189)
free base

>  <CAS> (189)
973-67-1

$$$$

csChFnd80/12062113222D

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>  <Mol_ID> (190)
190

>  <Formula> (190)
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>  <MolWeight> (190)
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S5078

>  <Name> (190)
Osimertinib mesylate

>  <Synonyms> (190)
AZD9291 mesylate

>  <Target> (190)
EGFR

>  <Form> (190)
mesylate

>  <CAS> (190)
1421373-66-1

>  <URL> (190)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/12062113222D

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M  END
>  <Mol_ID> (191)
191

>  <Formula> (191)
C6H11NOS2

>  <MolWeight> (191)
177.28764

>  <Cat> (191)
S5771

>  <Name> (191)
sulforaphane

>  <Synonyms> (191)
N/A

>  <Target> (191)
Nrf2

>  <Form> (191)
Free Base

>  <CAS> (191)
4478-93-7

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

$$$$

csChFnd80/12062113222D

 33 35  0  0  0  0  0  0  0  0999 V2000
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  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
 15 20  1  0  0  0  0
 18 24  1  0  0  0  0
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M  END
>  <Mol_ID> (192)
192

>  <Formula> (192)
C22H21F3N6O2

>  <MolWeight> (192)
458.4363496

>  <Cat> (192)
S8801

>  <Name> (192)
CC-90003

>  <Synonyms> (192)
N/A

>  <Target> (192)
ERK

>  <Form> (192)
Free Base

>  <CAS> (192)
1621999-82-3

>  <URL> (192)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/12062113222D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (193)
193

>  <Formula> (193)
C28H32O16

>  <MolWeight> (193)
624.54408

>  <Cat> (193)
S9455

>  <Name> (193)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (193)
N/A

>  <Target> (193)
Others

>  <Form> (193)
Free Base

>  <CAS> (193)
55033-90-4

>  <URL> (193)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/12062113222D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (194)
194

>  <Formula> (194)
C30H48O5

>  <MolWeight> (194)
488.69912

>  <Cat> (194)
S9514

>  <Name> (194)
Rotundic acid

>  <Synonyms> (194)
Rutundic acid

>  <Target> (194)
Others

>  <Form> (194)
Free Base

>  <CAS> (194)
20137-37-5

>  <URL> (194)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/12062113222D

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    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
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (195)
195

>  <Formula> (195)
C10H8O5

>  <MolWeight> (195)
208.16752

>  <Cat> (195)
S9503

>  <Name> (195)
Fraxetin

>  <Synonyms> (195)
7,8-dihydroxy-6-methoxy coumarin

>  <Target> (195)
Others

>  <Form> (195)
free base

>  <CAS> (195)
574-84-5

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

$$$$

csChFnd80/12062113222D

 44 47  0  0  0  0  0  0  0  0999 V2000
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  1  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
   16.9741    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    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
    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  1  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  2  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
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1645    8.6760    0.0000 R   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  1  0  0  0  0
  5 11  2  0  0  0  0
 12  6  1  1  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  6  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
 24 29  1  1  0  0  0
 24 30  1  0  0  0  0
 25 31  1  1  0  0  0
 25 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  6  0  0  0
 34 32  1  1  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  6  0  0  0
 36 39  1  0  0  0  0
 37 40  1  0  0  0  0
 37 41  1  6  0  0  0
 39 42  1  6  0  0  0
 39 40  1  0  0  0  0
 40 43  1  1  0  0  0
A   44
xH2O
M  END
>  <Mol_ID> (196)
196

>  <Formula> (196)
C27H30O16R

>  <MolWeight> (196)
610.5175

>  <Cat> (196)
S6264

>  <Name> (196)
Rutin hydrate

>  <Synonyms> (196)
Quercetin-3-O-rutinoside, Rutoside, Sophorin

>  <Target> (196)
Others

>  <Form> (196)
free base

>  <CAS> (196)
207671-50-9

>  <URL> (196)
http://www.selleck.cn/products/rutin-hydrate.html

$$$$

csChFnd80/12062113222D

 13 13  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 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
    1.2124    2.1000    0.0000 C   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
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (197)
197

>  <Formula> (197)
C9H10O4

>  <MolWeight> (197)
182.1733

>  <Cat> (197)
S6338

>  <Name> (197)
3,4-Dihydroxyhydrocinnamic acid

>  <Synonyms> (197)
Dihydrocaffeic acid

>  <Target> (197)
Others

>  <Form> (197)
free base

>  <CAS> (197)
1078-61-1

>  <URL> (197)
http://www.selleck.cn/products/3-4-dihydroxyhydrocinnamic-acid.html

$$$$

csChFnd80/12062113222D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 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    2.8000    0.0000 N   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
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    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
  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
  4  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
 15 17  1  0  0  0  0
 14 18  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
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 21  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
 33 34  3  0  0  0  0
M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C27H25N5O2

>  <MolWeight> (198)
451.5197

>  <Cat> (198)
S8755

>  <Name> (198)
AZ304

>  <Synonyms> (198)
N/A

>  <Target> (198)
Raf

>  <Form> (198)
free base

>  <CAS> (198)
942507-42-8

>  <URL> (198)
http://www.selleck.cn/products/az304.html

$$$$

csChFnd80/12062113222D

 50 56  0  0  0  0  0  0  0  0999 V2000
   16.9606    8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9606    7.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1730    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3855    7.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3855    8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1730    9.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7482    9.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5979    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7482   10.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5357   11.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3233   10.6564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3233    9.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5357    8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1109   11.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8984   10.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1109   12.7564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6860   11.3564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1702   13.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4702   11.8274    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4070   10.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0779   11.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2932   11.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3315    9.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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N/A

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ERK

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1184173-73-6

>  <URL> (199)
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csChFnd80/12062113222D

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200

>  <Formula> (200)
C22H16F4N4OS

>  <MolWeight> (200)
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S8793

>  <Name> (200)
ULK-101

>  <Synonyms> (200)
N/A

>  <Target> (200)
Autophagy

>  <Form> (200)
Free Base

>  <CAS> (200)
no cas

>  <URL> (200)
http://www.selleck.cn/products/ulk-101.html

$$$$

csChFnd80/12062113222D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (201)
201

>  <Formula> (201)
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>  <MolWeight> (201)
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>  <Cat> (201)
S6499

>  <Name> (201)
PF-6260933

>  <Synonyms> (201)
N/A

>  <Target> (201)
Serine/threonin kina

>  <Form> (201)
free base

>  <CAS> (201)
1811510-56-1

>  <URL> (201)
http://www.selleck.cn/products/pf-6260933.html

$$$$

csChFnd80/12062113222D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (202)
203

>  <Formula> (202)
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>  <MolWeight> (202)
281.3092

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S6521

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>  <Synonyms> (202)
N/A

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JAK

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free base

>  <CAS> (202)
21561-09-1

>  <URL> (202)
http://www.selleck.cn/products/whi-p258.html

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csChFnd80/12062113222D

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>  <Mol_ID> (203)
204

>  <Formula> (203)
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>  <MolWeight> (203)
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>  <Cat> (203)
S6527

>  <Name> (203)
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>  <Synonyms> (203)
N/A

>  <Target> (203)
Rho

>  <Form> (203)
free base

>  <CAS> (203)
454453-49-7

>  <URL> (203)
http://www.selleck.cn/products/kobe2602.html

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csChFnd80/12062113222D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (204)
205

>  <Formula> (204)
C29H24F3N5O

>  <MolWeight> (204)
515.5289696

>  <Cat> (204)
S6538

>  <Name> (204)
B-Raf IN 1

>  <Synonyms> (204)
N/A

>  <Target> (204)
Raf

>  <Form> (204)
free base

>  <CAS> (204)
950736-05-7

>  <URL> (204)
http://www.selleck.cn/products/b-rafin-1.html

$$$$

csChFnd80/12062113222D

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 12 13  1  0  0  0  0
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M  END
>  <Mol_ID> (205)
206

>  <Formula> (205)
C16H16F3N5

>  <MolWeight> (205)
335.3269496

>  <Cat> (205)
S6578

>  <Name> (205)
Longdaysin

>  <Synonyms> (205)
N/A

>  <Target> (205)
Casein Kinase

>  <Form> (205)
free base

>  <CAS> (205)
1353867-91-0

>  <URL> (205)
http://www.selleck.cn/products/longdaysin.html

$$$$

csChFnd80/12062113222D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (206)
207

>  <Formula> (206)
C25H28N4O2S

>  <MolWeight> (206)
448.58042

>  <Cat> (206)
S8826

>  <Name> (206)
BAY-293

>  <Synonyms> (206)
N/A

>  <Target> (206)
Rho

>  <Form> (206)
free base

>  <CAS> (206)
2244904-70-7

>  <URL> (206)
http://www.selleck.cn/products/bay-293.html

$$$$

csChFnd80/12062113222D

 33 37  0  0  0  0  0  0  0  0999 V2000
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  2  6  1  0  0  0  0
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M  END
>  <Mol_ID> (207)
208

>  <Formula> (207)
C25H23N5O2S

>  <MolWeight> (207)
457.54742

>  <Cat> (207)
S8867

>  <Name> (207)
Bentamapimod

>  <Synonyms> (207)
N/A

>  <Target> (207)
JNK

>  <Form> (207)
free base

>  <CAS> (207)
848344-36-5

>  <URL> (207)
http://www.selleck.cn/products/bentamapimod.html

$$$$

csChFnd80/12062113222D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (208)
C18H24N6O

>  <MolWeight> (208)
340.42276

>  <Cat> (208)
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Bohemine

>  <Synonyms> (208)
N/A

>  <Target> (208)
CDK

>  <Form> (208)
Free Base

>  <CAS> (208)
189232-42-6

>  <URL> (208)
http://www.selleck.cn/products/bohemine.html

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 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (209)
210

>  <Formula> (209)
C10H5N3O3

>  <MolWeight> (209)
215.165

>  <Cat> (209)
S6596

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AG-126

>  <Synonyms> (209)
N/A

>  <Target> (209)
ERK

>  <Form> (209)
Free Base

>  <CAS> (209)
118409-62-4

>  <URL> (209)
http://www.selleck.cn/products/ag-126.html

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csChFnd80/12062113222D

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M  END
>  <Mol_ID> (210)
211

>  <Formula> (210)
C15H9N3O

>  <MolWeight> (210)
247.25146

>  <Cat> (210)
S6711

>  <Name> (210)
IQ-1S

>  <Synonyms> (210)
N/A

>  <Target> (210)
JNK

>  <Form> (210)
Free Base

>  <CAS> (210)
23146-22-7

>  <URL> (210)
http://www.selleck.cn/products/iq-1s.html

$$$$

csChFnd80/12062113222D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  0  0  0  0
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  8 12  1  0  0  0  0
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 13  9  1  0  0  0  0
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  4  6  1  0  0  0  0
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 10  6  1  0  0  0  0
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M  END
>  <Mol_ID> (211)
212

>  <Formula> (211)
C22H25ClN6O

>  <MolWeight> (211)
424.9265

>  <Cat> (211)
S6730

>  <Name> (211)
CC-401 Hydrochloride

>  <Synonyms> (211)
N/A

>  <Target> (211)
JNK

>  <Form> (211)
Hydrochloride

>  <CAS> (211)
1438391-30-0

>  <URL> (211)
http://www.selleck.cn/products/cc-401-hydrochloride.html

$$$$

csChFnd80/12062113222D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (212)
213

>  <Formula> (212)
C17H15N5O2

>  <MolWeight> (212)
321.3333

>  <Cat> (212)
S6740

>  <Name> (212)
DB07268

>  <Synonyms> (212)
N/A

>  <Target> (212)
JNK

>  <Form> (212)
Free Base

>  <CAS> (212)
929007-72-7

>  <URL> (212)
http://www.selleck.cn/products/db07268.html

$$$$

csChFnd80/12062113222D

 33 37  0  0  0  0  0  0  0  0999 V2000
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N/A

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1446113-23-0

>  <URL> (213)
http://www.selleck.cn/products/belvarafenib.html

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>  <Synonyms> (214)
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>  <CAS> (214)
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>  <URL> (214)
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216

>  <Formula> (215)
C25H20N4O2

>  <MolWeight> (215)
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>  <Cat> (215)
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>  <Name> (215)
ETC-206

>  <Synonyms> (215)
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>  <Target> (215)
MNK

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Free Base

>  <CAS> (215)
1464151-33-4

>  <URL> (215)
http://www.selleck.cn/products/etc-206.html

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S6660

>  <Name> (216)
B-Raf inhibitor 1 dihydrochlorid

>  <Synonyms> (216)
N/A

>  <Target> (216)
Raf

>  <Form> (216)
Dihydrochloride

>  <CAS> (216)
1191385-19-9

>  <URL> (216)
http://www.selleck.cn/products/b-raf-inhibitor-1-dihydrochlorid.html

$$$$

csChFnd80/12062113222D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.0297    5.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0290    6.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8163    7.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6043    6.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6049    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8175    4.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    4.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2467    3.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8224    5.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5698    3.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9623    3.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2414    7.4363    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.2421    4.6361    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
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
  9 14  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
  7 18  1  0  0  0  0
  5 10  1  0  0  0  0
  2 24  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
>  <Mol_ID> (217)
218

>  <Formula> (217)
C20H14ClN3O

>  <MolWeight> (217)
347.79766

>  <Cat> (217)
S6680

>  <Name> (217)
L-779450

>  <Synonyms> (217)
L-779,450

>  <Target> (217)
Raf

>  <Form> (217)
Free Base

>  <CAS> (217)
303727-31-3

>  <URL> (217)
http://www.selleck.cn/products/l-779450.html

$$$$

csChFnd80/12062113222D

 39 43  0  0  0  0  0  0  0  0999 V2000
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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
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   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
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   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
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   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> (218)
219

>  <Formula> (218)
C29H28F3N5O2

>  <MolWeight> (218)
535.5601296

>  <Cat> (218)
S2213

>  <Name> (218)
AMG-47a

>  <Synonyms> (218)
N/A

>  <Target> (218)
Src

>  <Form> (218)
Free Base

>  <CAS> (218)
882663-88-9

>  <URL> (218)
http://www.selleck.cn/products/.html

$$$$

csChFnd80/12062113222D

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    1.2116    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.5113    2.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0603    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9589    0.4859    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  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 16  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (219)
220

>  <Formula> (219)
C16H19Cl2N3O4S

>  <MolWeight> (219)
420.31076

>  <Cat> (219)
S8900

>  <Name> (219)
SR18662 

>  <Synonyms> (219)
N/A

>  <Target> (219)
KLF

>  <Form> (219)
Free Base

>  <CAS> (219)
no cas

>  <URL> (219)
http://www.selleckchem.com/products/sr18662.html

$$$$

csChFnd80/12062113222D

 33 38  0  0  0  0  0  0  0  0999 V2000
    4.6365    8.3328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
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 28 32  2  0  0  0  0
 29 33  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (220)
221

>  <Formula> (220)
C26H23N5O2

>  <MolWeight> (220)
437.49312

>  <Cat> (220)
S8961

>  <Name> (220)
Alobresib (GS-5829)

>  <Synonyms> (220)
N/A

>  <Target> (220)
Epigenetic Reader Do

>  <Form> (220)
Free Base

>  <CAS> (220)
1637771-14-2

>  <URL> (220)
http://www.selleckchem.com/products/alobresib.html

$$$$

csChFnd80/12062113222D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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M  END
>  <Mol_ID> (221)
222

>  <Formula> (221)
C20H13FN4O2

>  <MolWeight> (221)
360.3412232

>  <Cat> (221)
S5183

>  <Name> (221)
PD 169316

>  <Synonyms> (221)
N/A

>  <Target> (221)
p38 MAPK

>  <Form> (221)
Free Base

>  <CAS> (221)
152121-53-4

>  <URL> (221)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/12062113222D

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 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (222)
223

>  <Formula> (222)
C17H11BrFN3O2

>  <MolWeight> (222)
388.1905432

>  <Cat> (222)
S6786

>  <Name> (222)
ERK5-IN-2

>  <Synonyms> (222)
N/A

>  <Target> (222)
ERK

>  <Form> (222)
Free Base

>  <CAS> (222)
1888305-96-1

>  <URL> (222)
http://www.selleckchem.com/products/erk5-in-2.html

$$$$

csChFnd80/12062113222D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (223)
224

>  <Formula> (223)
C20H13F2N3

>  <MolWeight> (223)
333.3341264

>  <Cat> (223)
S6807

>  <Name> (223)
TA-02

>  <Synonyms> (223)
N/A

>  <Target> (223)
p38 MAPK

>  <Form> (223)
Free Base

>  <CAS> (223)
1784751-19-4

>  <URL> (223)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/12062113222D

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 41 42  2  0  0  0  0
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 44 47  1  0  0  0  0
 46 48  1  0  0  0  0
 47 49  2  0  0  0  0
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 49 50  1  0  0  0  0
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 57 59  2  0  0  0  0
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 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (224)
225

>  <Formula> (224)
C43H46F3N7O7S

>  <MolWeight> (224)
861.9282496

>  <Cat> (224)
S8888

>  <Name> (224)
GMB-475

>  <Synonyms> (224)
N/A

>  <Target> (224)
PROTAC

>  <Form> (224)
Free Base

>  <CAS> (224)
no cas

>  <URL> (224)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/12062113222D

 26 27  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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  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
  5 11  1  0  0  0  0
 13 14  1  0  0  0  0
  2 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 10 15  1  0  0  0  0
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M  END
>  <Mol_ID> (225)
226

>  <Formula> (225)
C18H20N4O4

>  <MolWeight> (225)
356.3758

>  <Cat> (225)
S7794

>  <Name> (225)
JNK Inhibitor VIII

>  <Synonyms> (225)
TCS?JNK?6o

>  <Target> (225)
JNK

>  <Form> (225)
Free Base

>  <CAS> (225)
894804-07-0

>  <URL> (225)
http://www.selleckchem.com/products/jnk-inhibitor-viii.html

$$$$

csChFnd80/12062113222D

 14 15  0  0  0  0  0  0  0  0999 V2000
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  3  6  1  0  0  0  0
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M  END
>  <Mol_ID> (226)
227

>  <Formula> (226)
C11H13NOS

>  <MolWeight> (226)
207.29202

>  <Cat> (226)
S0023

>  <Name> (226)
K-Ras-IN-1

>  <Target> (226)
Ras

>  <Form> (226)
free base

>  <CAS> (226)
84783-01-7

>  <URL> (226)
http://www.selleckchem.com/products/k-ras-in-1.html

$$$$

csChFnd80/12062113222D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (227)
228

>  <Formula> (227)
C21H19N3O3

>  <MolWeight> (227)
361.39386

>  <Cat> (227)
S0268

>  <Name> (227)
DMX-5084

>  <Target> (227)
MAP4K

>  <Form> (227)
free base

>  <CAS> (227)
2306178-56-1

>  <URL> (227)
http://www.selleckchem.com/products/dmx-5084.html

$$$$

csChFnd80/12062113222D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 16  1  0  0  0  0
 17 21  2  0  0  0  0
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M  END
>  <Mol_ID> (228)
229

>  <Formula> (228)
C14H10N4O3S

>  <MolWeight> (228)
314.3192

>  <Cat> (228)
S0458

>  <Name> (228)
KY1220

>  <Target> (228)
Wnt/beta-catenin

>  <Form> (228)
free base

>  <CAS> (228)
292168-79-7

>  <URL> (228)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/12062113222D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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M  END
>  <Mol_ID> (229)
230

>  <Formula> (229)
C23H40N2O3

>  <MolWeight> (229)
392.5753

>  <Cat> (229)
S0752

>  <Name> (229)
AUDA

>  <Target> (229)
Epoxide Hydrolase

>  <Form> (229)
free base

>  <CAS> (229)
479413-70-2

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

$$$$

csChFnd80/12062113222D

 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
    1.2082    2.0523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    4.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0580    6.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.0583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8101    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0183    7.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    9.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2266    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    7.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5380    6.3162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3316    6.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6430    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7523    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
    9.9287    6.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    8.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    4.8523    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
  4  7  2  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
  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
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 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> (230)
231

>  <Formula> (230)
C30H48O7

>  <MolWeight> (230)
520.69792

>  <Cat> (230)
S0949

>  <Name> (230)
Cucurbitacin IIb

>  <Target> (230)
STAT

>  <Form> (230)
free base

>  <CAS> (230)
50298-90-3

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

$$$$

csChFnd80/12062113222D

 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> (231)
232

>  <Formula> (231)
C7H14O6

>  <MolWeight> (231)
194.18246

>  <Cat> (231)
S3223

>  <Name> (231)
L-Quebrachitol

>  <Target> (231)
TGF-beta/Smad

>  <Form> (231)
free base

>  <CAS> (231)
642-38-6

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

$$$$

csChFnd80/12062113222D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.1880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3372    3.1732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3372    4.5731    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0858    2.4246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0858    5.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5496    2.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8173    3.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8173    4.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5496    5.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7620    3.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3372    5.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7996    1.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5272    6.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0359    5.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0473    6.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2623    7.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2677    8.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  1  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  1  0  0  0
  5  8  1  0  0  0  0
  5 14  1  1  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  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
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (232)
233

>  <Formula> (232)
C20H28O2

>  <MolWeight> (232)
300.43512

>  <Cat> (232)
S3226

>  <Name> (232)
Dehydroabietic acid

>  <Target> (232)
Anti-infection

>  <Form> (232)
free base

>  <CAS> (232)
1740-19-8

>  <URL> (232)
http://www.selleckchem.com/products/dehydroabietic-acid.html

$$$$

csChFnd80/12062113222D

 28 33  0  0  0  0  0  0  0  0999 V2000
    5.2310    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1826    0.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875    2.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    1.5049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5564    0.1442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    3.6048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5079    1.2709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    4.3533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    3.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    4.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    3.6340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.5311    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    5.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8778    1.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    4.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0174    5.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    6.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    5.9023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3126    2.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8127    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6826    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6176    2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  8  1  1  1  0  0  0
 24  2  1  1  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  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
  6 13  1  0  0  0  0
  6 17  1  1  0  0  0
  7  9  1  0  0  0  0
  7 15  1  6  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  1  0  0  0
 10 11  1  0  0  0  0
 10 20  1  1  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 22  1  1  0  0  0
 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  6  0  0  0
 19 23  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (233)
234

>  <Formula> (233)
C24H32O4

>  <MolWeight> (233)
384.50848

>  <Cat> (233)
S3238

>  <Name> (233)
Resibufogenin

>  <Target> (233)
RIP kinase

>  <Form> (233)
free base

>  <CAS> (233)
465-39-4

>  <URL> (233)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/12062113222D

 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
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    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
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   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> (234)
235

>  <Formula> (234)
C18H20O5

>  <MolWeight> (234)
316.3484

>  <Cat> (234)
S3242

>  <Name> (234)
Loureirin B

>  <Target> (234)
PAI-1

>  <Form> (234)
free base

>  <CAS> (234)
119425-90-0

>  <URL> (234)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/12062113222D

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.7791    4.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    6.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    5.0655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4250    5.7655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2126    3.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    3.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    5.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7670    1.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2019    0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5719    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  5  2  1  6  0  0  0
  6  3  1  1  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 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
M  END
>  <Mol_ID> (235)
236

>  <Formula> (235)
C12H16O4

>  <MolWeight> (235)
224.25304

>  <Cat> (235)
S3275

>  <Name> (235)
Senkyunolide I

>  <Target> (235)
ERK

>  <Form> (235)
free base

>  <CAS> (235)
94596-28-8

>  <URL> (235)
http://www.selleckchem.com/products/senkyunolide-i.html

$$$$

csChFnd80/12062113222D

 42 46  0  0  0  0  0  0  0  0999 V2000
    6.0623    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    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
    6.0623    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    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
    7.2747   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3715   11.8957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8328   16.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0623    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    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
    6.0623    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   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
    4.8497   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5757   12.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0847   14.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5645   14.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8275   14.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 16  1  1  6  0  0  0
 19  1  1  1  0  0  0
  2 20  1  0  0  0  0
  2 22  1  0  0  0  0
  3 19  1  0  0  0  0
  3 25  1  0  0  0  0
 20  4  1  1  0  0  0
  4 28  1  0  0  0  0
 17  5  1  1  0  0  0
 18  6  1  6  0  0  0
 21  7  1  6  0  0  0
 23  8  1  6  0  0  0
 24  9  1  1  0  0  0
 10 26  1  0  0  0  0
 11 29  1  0  0  0  0
 11 33  1  0  0  0  0
 12 30  2  0  0  0  0
 13 34  1  0  0  0  0
 14 39  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 21 23  1  0  0  0  0
 22 26  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 27  1  6  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
 32 36  2  0  0  0  0
 32 37  1  0  0  0  0
 33 35  2  0  0  0  0
 34 38  1  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  2  0  0  0  0
 38 39  2  0  0  0  0
 40 42  2  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (236)
237

>  <Formula> (236)
C27H30O15

>  <MolWeight> (236)
594.5181

>  <Cat> (236)
S3278

>  <Name> (236)
Kaempferol-3-O-neohesperidoside

>  <Target> (236)
Carbohydrate Metabol

>  <Form> (236)
free base

>  <CAS> (236)
32602-81-6

>  <URL> (236)
http://www.selleckchem.com/products/kaempferol-3-o-neohesperidoside.html

$$$$

csChFnd80/12062113222D

 39 42  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 O   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
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.5903    0.0000 O   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
    6.0496    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578   10.4806    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5367    9.9111    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4735   10.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7735   12.1640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4041   11.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1537    8.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7762    6.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8166    7.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5256    8.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1941    9.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3673   12.8064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5623    9.5530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8892    9.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1435    6.8190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1803    7.7525    0.0000 C   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
    1.2082    1.3976    0.0000 O   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
    6.0877   11.2404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  7  8  1  0  0  0  0
  5  9  1  1  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
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 20 24  1  6  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
 23 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
  3 36  1  1  0  0  0
  2 37  1  6  0  0  0
  4 38  1  6  0  0  0
 19 39  1  6  0  0  0
M  END
>  <Mol_ID> (237)
238

>  <Formula> (237)
C27H34O12

>  <MolWeight> (237)
550.55166

>  <Cat> (237)
S3284

>  <Name> (237)
Tracheloside

>  <Target> (237)
phosphatase

>  <Form> (237)
free base

>  <CAS> (237)
33464-71-0

>  <URL> (237)
http://www.selleckchem.com/products/tracheloside.html

$$$$

csChFnd80/12062113222D

 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> (238)
239

>  <Formula> (238)
C17H24O2

>  <MolWeight> (238)
260.37126

>  <Cat> (238)
S3292

>  <Name> (238)
Falcarindiol

>  <Target> (238)
NOS

>  <Form> (238)
free base

>  <CAS> (238)
225110-25-8

>  <URL> (238)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/12062113222D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (239)
240

>  <Formula> (239)
C27H33ClN2O4

>  <MolWeight> (239)
485.01492

>  <Cat> (239)
S6760

>  <Name> (239)
LM22B-10

>  <Target> (239)
Trk receptor

>  <Form> (239)
free base

>  <CAS> (239)
342777-54-2

>  <URL> (239)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/12062113222D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (240)
241

>  <Formula> (240)
C24H19F4N5O2

>  <MolWeight> (240)
485.4335728

>  <Cat> (240)
S6817

>  <Name> (240)
VU6015929

>  <Target> (240)
DDR

>  <Form> (240)
free base

>  <CAS> (240)
no

>  <URL> (240)
http://www.selleckchem.com/products/vu6015929.html

$$$$

csChFnd80/12062113222D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (241)
242

>  <Formula> (241)
C20H11N5OS

>  <MolWeight> (241)
369.39924

>  <Cat> (241)
S6882

>  <Name> (241)
HI-TOPK-032

>  <Target> (241)
TOPK

>  <Form> (241)
free base

>  <CAS> (241)
487020-03-1

>  <URL> (241)
http://www.selleckchem.com/products/hi-topk-032.html

$$$$

csChFnd80/12062113222D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (242)
243

>  <Formula> (242)
C19H15ClN4O

>  <MolWeight> (242)
350.8016

>  <Cat> (242)
S6888

>  <Name> (242)
SEL201

>  <Target> (242)
MNK

>  <Form> (242)
free base

>  <CAS> (242)
2095704-43-9

>  <URL> (242)
http://www.selleckchem.com/products/sel201.html

$$$$

csChFnd80/12062113222D

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M  END
>  <Mol_ID> (243)
244

>  <Formula> (243)
C33H36N2O3

>  <MolWeight> (243)
508.65054

>  <Cat> (243)
S6905

>  <Name> (243)
MCP110

>  <Target> (243)
Ras

>  <Form> (243)
free base

>  <CAS> (243)
521310-51-0

>  <URL> (243)
http://www.selleckchem.com/products/mcp110.html

$$$$

csChFnd80/12062113222D

 33 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (244)
245

>  <Formula> (244)
C23H25F3N4O3

>  <MolWeight> (244)
462.4648096

>  <Cat> (244)
S8916

>  <Name> (244)
BI-3406

>  <Target> (244)
Ras

>  <Form> (244)
free base

>  <CAS> (244)
2230836-55-0

>  <URL> (244)
http://www.selleckchem.com/products/bi-3406.html

$$$$

csChFnd80/12062113222D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (245)
246

>  <Formula> (245)
C21H13ClD3F3N4O3

>  <MolWeight> (245)
467.843434934

>  <Cat> (245)
S9621

>  <Name> (245)
Donafenib (Sorafenib D3)

>  <Target> (245)
Raf

>  <Form> (245)
free base

>  <CAS> (245)
1130115-44-4

>  <URL> (245)
http://www.selleckchem.com/products/donafenib-sorafenib-d3.html

$$$$

csChFnd80/12062113222D

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>  <Mol_ID> (246)
247

>  <Formula> (246)
C25H20FN7O

>  <MolWeight> (246)
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>  <Cat> (246)
S9658

>  <Name> (246)
SP-146

>  <Target> (246)
Aurora Kinase

>  <Form> (246)
free base

>  <CAS> (246)
No

>  <URL> (246)
http://www.selleckchem.com/products/sp-146.html

$$$$

csChFnd80/12062113222D

152158  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (247)
248

>  <Formula> (247)
C97H144FN33O19S2

>  <MolWeight> (247)
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>  <Cat> (247)
S9665

>  <Name> (247)
Motixafortide (BL-8040)

>  <Target> (247)
CXCR

>  <Form> (247)
free base

>  <CAS> (247)
664334-36-5

>  <URL> (247)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/12062113222D

 29 32  0  0  0  0  0  0  0  0999 V2000
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    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.0999    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
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   12.1243    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1243    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    0.7001    0.0000 O   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
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    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5001    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
    2.4249    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  3  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  6  0  0  0
  9 10  2  0  0  0  0
  7 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19  1  1  1  0  0  0
 19  4  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  2  0  0  0  0
 19 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 26  2  0  0  0  0
 19 27  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  2  0  0  0  0
 28 21  1  0  0  0  0
  4 29  1  6  0  0  0
M  END
>  <Mol_ID> (248)
249

>  <Formula> (248)
C22H26N2O4

>  <MolWeight> (248)
382.45284

>  <Cat> (248)
S9306

>  <Name> (248)
Corynoxeine

>  <Synonyms> (248)
N/A

>  <Target> (248)
ERK

>  <Form> (248)
Free Base

>  <CAS> (248)
630-94-4

>  <URL> (248)
https://www.selleckchem.com/products/corynoxeine.html

$$$$

csChFnd80/12062113222D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3 11  2  0  0  0  0
  6  4  1  6  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  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 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 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
M  END
>  <Mol_ID> (249)
250

>  <Formula> (249)
C13H14N2O3

>  <MolWeight> (249)
246.26186

>  <Cat> (249)
S0323

>  <Name> (249)
Antineoplaston A10

>  <Synonyms> (249)
N/A

>  <Target> (249)
Ras

>  <Form> (249)
Free Base

>  <CAS> (249)
91531-30-5

>  <URL> (249)
https://www.selleckchem.com/products/antineoplaston-a10.html

$$$$

csChFnd80/12062113222D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.0545    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6644    1.5067    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    8.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5668    5.1189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    7.8651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    6.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    2.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1846    7.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8595    3.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  2 22  1  0  0  0  0
  3 19  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 19  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (250)
251

>  <Formula> (250)
C15H12Cl2N4O

>  <MolWeight> (250)
335.18798

>  <Cat> (250)
S0454

>  <Name> (250)
Adjudin

>  <Synonyms> (250)
AF-2364

>  <Target> (250)
Chloride Channel. NF-¦ÊB. ERK

>  <Form> (250)
Free Base

>  <CAS> (250)
252025-52-8

>  <URL> (250)
https://www.selleckchem.com/products/adjudin.html

$$$$

csChFnd80/12062113222D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    3.7722    5.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0122    5.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2063    3.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2164    6.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1735    1.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6409    0.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2919    7.9139    0.0000 H   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
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
  3 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
 16 19  1  0  0  0  0
 12 13  1  0  0  0  0
  1 12  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (251)
252

>  <Formula> (251)
C16H12ClNO

>  <MolWeight> (251)
269.72558

>  <Cat> (251)
S0780

>  <Name> (251)
Oncrasin-1

>  <Synonyms> (251)
N/A

>  <Target> (251)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (251)
Free Base

>  <CAS> (251)
75629-57-1

>  <URL> (251)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/12062113222D

 26 30  0  0  0  0  0  0  0  0999 V2000
    8.0935    5.3677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    7.0903    2.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9527    3.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (252)
253

>  <Formula> (252)
C20H11N3O3

>  <MolWeight> (252)
341.31964

>  <Cat> (252)
S0781

>  <Name> (252)
IQ 3

>  <Synonyms> (252)
N/A

>  <Target> (252)
JNK. NF-¦ÊB. TNF-¦Á. IL-6

>  <Form> (252)
Free Base

>  <CAS> (252)
312538-03-7

>  <URL> (252)
https://www.selleckchem.com/products/iq-3.html

$$$$

csChFnd80/12062113222D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2195    0.2653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9040    1.5205    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8103    1.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7758    5.9451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1525    2.3422    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7401    3.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5048    1.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103    4.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430    5.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5808    4.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4948    2.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1626    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859    3.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2433    6.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8471    2.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0047    5.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2094    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8370    3.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5617    0.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1893    3.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5517    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 24  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (253)
254

>  <Formula> (253)
C18H13F2NO3

>  <MolWeight> (253)
329.2975264

>  <Cat> (253)
S0881

>  <Name> (253)
Mitochonic acid 5

>  <Synonyms> (253)
MA-5

>  <Target> (253)
Mitophagy. MAPK. ERK. Yap

>  <Form> (253)
Free Base

>  <CAS> (253)
1354707-41-7

>  <URL> (253)
https://www.selleckchem.com/products/mitochonic-acid-5.html

$$$$

csChFnd80/12062113222D

 16 18  0  0  0  0  0  0  0  0999 V2000
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    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    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    4.2000    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
    2.4249    0.0000    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
    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
    6.0622    4.9000    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  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (254)
255

>  <Formula> (254)
C13H8O3

>  <MolWeight> (254)
212.20082

>  <Cat> (254)
S1321

>  <Name> (254)
Urolithin B

>  <Synonyms> (254)
N/A

>  <Target> (254)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (254)
Free Base

>  <CAS> (254)
1139-83-9

>  <URL> (254)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/12062113222D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 F   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    7.6927    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
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 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
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (255)
256

>  <Formula> (255)
C21H19F2NO3

>  <MolWeight> (255)
371.3772664

>  <Cat> (255)
S6920

>  <Name> (255)
SEA0400

>  <Synonyms> (255)
N/A

>  <Target> (255)
Calcium Channel. Sodium Channel. ERK. p38 MA

>  <Form> (255)
Free Base

>  <CAS> (255)
223104-29-8

>  <URL> (255)
https://www.selleckchem.com/products/sea0400.html

$$$$

csChFnd80/12062113222D

 28 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0736    8.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0332    9.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8193    6.3326    0.0000 F   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
  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
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 22 18  2  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
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>  <Mol_ID> (256)
257

>  <Formula> (256)
C22H14FN5

>  <MolWeight> (256)
367.3784632

>  <Cat> (256)
S6963

>  <Name> (256)
APTO-253

>  <Synonyms> (256)
LOR-253, LT-253

>  <Target> (256)
c-Myc. KLF. Apoptosis related

>  <Form> (256)
Free Base

>  <CAS> (256)
916151-99-0

>  <URL> (256)
https://www.selleckchem.com/products/apto-253.html

$$$$

csChFnd80/12062113222D

 44 44  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  1  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  2  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 23  1  0  0  0  0
 18 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 18  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
 40 43  2  0  0  0  0
 40 44  1  0  0  0  0
M  END
>  <Mol_ID> (257)
258

>  <Formula> (257)
C29H36F3N3O8S

>  <MolWeight> (257)
643.6716496

>  <Cat> (257)
S9698

>  <Name> (257)
Ezatiostat

>  <Synonyms> (257)
TER199, TLK199, Telintra

>  <Target> (257)
Transferase. JNK. ERK. Apoptosis related

>  <Form> (257)
Free Base

>  <CAS> (257)
168682-53-9

>  <URL> (257)
https://www.selleckchem.com/products/ezatiostat.html

$$$$

csChFnd80/12062113222D

 34 34  0  0  0  0  0  0  0  0999 V2000
    3.6350    4.2508    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4645    4.9265    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6350    2.8279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8481    4.9511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    4.2049    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4645    6.3258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061    2.1184    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8463    2.1285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    4.2513    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2146    2.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2522    7.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061    0.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2728    4.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    2.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0399    6.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2522    8.4258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6260    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4851    4.2515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2728    6.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6976    4.9515    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9100    4.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6976    6.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1225    4.9515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9100    2.8515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3349    4.2515    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5473    4.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3349    2.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5473    6.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5473    2.1515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1225    2.1515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7598    7.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9722    6.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7598    8.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  1  0  0  0
  7 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  1  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 21 19  1  1  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 26 24  1  6  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
 28 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
M  END
>  <Mol_ID> (258)
259

>  <Formula> (258)
C19H32N4O11

>  <MolWeight> (258)
492.47758

>  <Cat> (258)
S9709

>  <Name> (258)
Muramyl dipeptide

>  <Synonyms> (258)
MDP

>  <Target> (258)
RUNX

>  <Form> (258)
Free Base

>  <CAS> (258)
53678-77-6

>  <URL> (258)
https://www.selleckchem.com/products/muramyl-dipeptide.html

$$$$
