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302962-49-8

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CGP-57148B, ST-1571 Mesylate

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PDGFR, c-Kit, Bcr-Abl

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Mesylate

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220127-57-1

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

$$$$
untitled.cdx
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Bcr-Abl

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Free Base

>  <CAS> (3)
641571-10-0

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

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>  <Mol_ID> (4)
26

>  <Formula> (4)
C19H16N4O3

>  <MolWeight> (4)
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>  <Cat> (4)
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>  <Name> (4)
PI-103

>  <Synonyms> (4)
N/A

>  <Target> (4)
DNA-PK, PI3K, mTOR

>  <Form> (4)
Free Base

>  <CAS> (4)
371935-74-9

>  <URL> (4)
http://www.selleckchem.com/products/PI-103.html

$$$$
RAPAMYCIN.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (5)
27

>  <Formula> (5)
C51H79NO13

>  <MolWeight> (5)
914.17186

>  <Cat> (5)
S1039

>  <Name> (5)
Rapamycin (Sirolimus)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
mTOR 

>  <Form> (5)
Free Base

>  <CAS> (5)
53123-88-9

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

$$$$
untitled.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (6)
32

>  <Formula> (6)
C23H28N8OS

>  <MolWeight> (6)
464.58642

>  <Cat> (6)
S1048

>  <Name> (6)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (6)
N/A 

>  <Target> (6)
Aurora Kinase

>  <Form> (6)
Free Base

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

>  <URL> (6)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (7)
33

>  <Formula> (7)
C14H23Cl2N3O

>  <MolWeight> (7)
320.25792

>  <Cat> (7)
S1049

>  <Name> (7)
Y-27632 2HCl

>  <Synonyms> (7)
N/A

>  <Target> (7)
ROCK

>  <Form> (7)
Dihydrochloride

>  <CAS> (7)
129830-38-2

>  <URL> (7)
http://www.selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (8)
34

>  <Formula> (8)
C19H20N4O2S2

>  <MolWeight> (8)
400.5177

>  <Cat> (8)
S1052

>  <Name> (8)
Elesclomol (STA-4783)

>  <Synonyms> (8)
STA-4783

>  <Target> (8)
HSP

>  <Form> (8)
Free Base

>  <CAS> (8)
488832-69-5

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

$$$$
untitled.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (9)
36

>  <Formula> (9)
C32H29N5O2

>  <MolWeight> (9)
515.60496

>  <Cat> (9)
S1055

>  <Name> (9)
Enzastaurin (LY317615)

>  <Synonyms> (9)
N/A 

>  <Target> (9)
PKC 

>  <Form> (9)
Free Base

>  <CAS> (9)
170364-57-5

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

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (10)
40

>  <Formula> (10)
C28H30N6OS

>  <MolWeight> (10)
498.6424

>  <Cat> (10)
S1064

>  <Name> (10)
Masitinib (AB1010)

>  <Synonyms> (10)
N/A 

>  <Target> (10)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (10)
Free Base

>  <CAS> (10)
790299-79-5

>  <URL> (10)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

$$$$
untitled.cdx
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PI3K 

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Free Base

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957054-30-7

>  <URL> (11)
http://www.selleckchem.com/products/GDC-0941.html

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43

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C26H31N3O5

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VER-52296

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HSP

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Free Base

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747412-49-3

>  <URL> (12)
http://www.selleckchem.com/products/NVP-AUY922.html

$$$$
1.cdx
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PI3K 

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475110-96-4

>  <URL> (13)
http://www.selleckchem.com/products/ZSTK474.html

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GSK-3 

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Free Base

>  <CAS> (14)
280744-09-4

>  <URL> (14)
http://www.selleckchem.com/products/SB-216763.html

$$$$

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M  END
>  <Mol_ID> (15)
48

>  <Formula> (15)
C25H23Cl2N5O

>  <MolWeight> (15)
480.38902

>  <Cat> (15)
S1078

>  <Name> (15)
MK-2206 dihydrochloride

>  <Synonyms> (15)
N/A

>  <Target> (15)
Akt

>  <Form> (15)
Dihydrochloride

>  <CAS> (15)
1032350-13-2

>  <URL> (15)
http://www.selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (16)
56

>  <Formula> (16)
C21H17NO3S2

>  <MolWeight> (16)
395.49458

>  <Cat> (16)
S1092

>  <Name> (16)
KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (16)
N/A

>  <Target> (16)
ATM 

>  <Form> (16)
Free Base

>  <CAS> (16)
587871-26-9

>  <URL> (16)
http://www.selleckchem.com/products/KU-55933.html

$$$$
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csChFnd80/01292311242D

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>  <Mol_ID> (17)
61

>  <Formula> (17)
C25H15ClF2N4O2

>  <MolWeight> (17)
476.8620064

>  <Cat> (17)
S1100

>  <Name> (17)
MLN8054

>  <Synonyms> (17)
N/A

>  <Target> (17)
Aurora Kinase

>  <Form> (17)
Free Base

>  <CAS> (17)
869363-13-3

>  <URL> (17)
http://www.selleckchem.com/products/MLN8054.html

$$$$
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>  <Mol_ID> (18)
63

>  <Formula> (18)
C29H31N5O4

>  <MolWeight> (18)
513.58754

>  <Cat> (18)
S1103

>  <Name> (18)
ZM-447439

>  <Synonyms> (18)
N/A

>  <Target> (18)
Aurora Kinase

>  <Form> (18)
Free Base

>  <CAS> (18)
331771-20-1

>  <URL> (18)
http://www.selleckchem.com/products/ZM-447439.html

$$$$
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PI3K 

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Free Base

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154447-36-6

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http://www.selleckchem.com/products/LY294002.html

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>  <Synonyms> (20)
N/A 

>  <Target> (20)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (20)
Free Base

>  <CAS> (20)
827318-97-8

>  <URL> (20)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

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>  <Synonyms> (21)
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>  <Target> (21)
mTOR

>  <Form> (21)
Free Base

>  <CAS> (21)
159351-69-6

>  <URL> (21)
http://www.selleckchem.com/products/Everolimus(RAD001).html

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Aurora Kinase

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Free Base

>  <CAS> (22)
1028486-01-2

>  <URL> (22)
http://www.selleckchem.com/products/MLN8237.html

$$$$
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csChFnd80/01292311242D

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>  <Mol_ID> (23)
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>  <Formula> (23)
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AT9283

>  <Synonyms> (23)
N/A

>  <Target> (23)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (23)
Free Base

>  <CAS> (23)
896466-04-9

>  <URL> (23)
http://www.selleckchem.com/products/AT9283.html

$$$$
untitled.cdx
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>  <Mol_ID> (24)
84

>  <Formula> (24)
C31H43N3O8

>  <MolWeight> (24)
585.68842

>  <Cat> (24)
S1141

>  <Name> (24)
17-AAG (Tanespimycin)

>  <Synonyms> (24)
N/A 

>  <Target> (24)
HSP

>  <Form> (24)
Free Base

>  <CAS> (24)
75747-14-7

>  <URL> (24)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$
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csChFnd80/01292311242D

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>  <Mol_ID> (25)
86

>  <Formula> (25)
C32H49ClN4O8

>  <MolWeight> (25)
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>  <Cat> (25)
S1142

>  <Name> (25)
17-DMAG HCl (Alvespimycin)

>  <Synonyms> (25)
NSC 707545 

>  <Target> (25)
HSP

>  <Form> (25)
Hydrochloride

>  <CAS> (25)
467214-21-7

>  <URL> (25)
http://www.selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

$$$$
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Docetaxel (Taxotere)

>  <Synonyms> (26)
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>  <Target> (26)
Microtubule Associated

>  <Form> (26)
Free Base

>  <CAS> (26)
114977-28-5

>  <URL> (26)
http://www.selleckchem.com/products/Docetaxel(Taxotere).html

$$$$
Paclitaxel.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (27)
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>  <Synonyms> (27)
N/A 

>  <Target> (27)
Microtubule Associated

>  <Form> (27)
Free Base

>  <CAS> (27)
33069-62-4

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

$$$$
abt-751.cdx
csChFnd80/01292311242D

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141430-65-1

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663619-89-4

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M  END
>  <Mol_ID> (33)
110

>  <Formula> (33)
C21H25N7

>  <MolWeight> (33)
375.4701

>  <Cat> (33)
S1181

>  <Name> (33)
ENMD-2076

>  <Synonyms> (33)
N/A 

>  <Target> (33)
Flt, Aurora Kinase, VEGFR

>  <Form> (33)
Tartaric Acid 

>  <CAS> (33)
934353-76-1

>  <URL> (33)
http://www.selleckchem.com/products/ENMD-2076.html

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (34)
126

>  <Formula> (34)
C27H30ClNO11

>  <MolWeight> (34)
579.9802

>  <Cat> (34)
S1208

>  <Name> (34)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (34)
N/A 

>  <Target> (34)
Topoisomerase

>  <Form> (34)
Hydrochloride

>  <CAS> (34)
25316-40-9

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

$$$$
KU-0063794.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (35)
136

>  <Formula> (35)
C25H31N5O4

>  <MolWeight> (35)
465.54474

>  <Cat> (35)
S1226

>  <Name> (35)
Ku-0063794

>  <Synonyms> (35)
N/A

>  <Target> (35)
mTOR 

>  <Form> (35)
Free Base

>  <CAS> (35)
938440-64-3

>  <URL> (35)
http://www.selleckchem.com/products/KU-0063794.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (36)
140

>  <Formula> (36)
C19H26O3

>  <MolWeight> (36)
302.40794

>  <Cat> (36)
S1233

>  <Name> (36)
2-Methoxyestradiol

>  <Synonyms> (36)
2-ME2

>  <Target> (36)
HIF

>  <Form> (36)
Free Base

>  <CAS> (36)
362-07-2

>  <URL> (36)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
JNJ-7706621.cdx
csChFnd80/01292311242D

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mTOR 

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Free Base

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1062169-56-5

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    4.8582    0.7000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  2  9  1  0  0  0  0
  7 10  1  0  0  0  0
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  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (41)
232

>  <Formula> (41)
C21H24NNaO8S

>  <MolWeight> (41)
473.47193

>  <Cat> (41)
S1362

>  <Name> (41)
Rigosertib (ON-01910)

>  <Synonyms> (41)
ON-01910

>  <Target> (41)
PLK

>  <Form> (41)
Sodium Salt

>  <CAS> (41)
1225497-78-8

>  <URL> (41)
http://www.selleckchem.com/products/ON-01910.html

$$$$
EpothiloneB.cdx
csChFnd80/01292311242D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4828    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    3.9326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    8.5156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    9.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    9.8471    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    8.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1573   10.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4929    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2454    0.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5143    5.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0324    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2706    4.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  1  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
  6  2  1  0  0  0  0
 10 18  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  2  0  0  0  0
 23 26  1  0  0  0  0
 14 27  2  0  0  0  0
  8 28  1  6  0  0  0
 11 29  1  1  0  0  0
 12 30  1  1  0  0  0
 15 31  2  0  0  0  0
 17 32  1  6  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
  2 35  1  6  0  0  0
M  END
>  <Mol_ID> (42)
234

>  <Formula> (42)
C27H41NO6S

>  <MolWeight> (42)
507.68254

>  <Cat> (42)
S1364

>  <Name> (42)
Patupilone (EPO906, Epothilone B)

>  <Synonyms> (42)
N/A 

>  <Target> (42)
Microtubule Associated

>  <Form> (42)
Free Base

>  <CAS> (42)
152044-54-7

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

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/01292311242D

 42 46  0  0  0  0  0  0  0  0999 V2000
   10.8867    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    6.2903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.7854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7854    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
  3  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 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 17  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 34  1  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (43)
279

>  <Formula> (43)
C31H31ClFN7O2

>  <MolWeight> (43)
588.0749432

>  <Cat> (43)
S1451

>  <Name> (43)
Aurora A Inhibitor I

>  <Synonyms> (43)
N/A

>  <Target> (43)
Aurora Kinase

>  <Form> (43)
Free Base

>  <CAS> (43)
1158838-45-9

>  <URL> (43)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/01292311242D

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.0538   13.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   12.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   11.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   12.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   13.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   14.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    9.7806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   10.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    9.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.6830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.6830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4744    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1951    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
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  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13  8  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
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 16 17  1  0  0  0  0
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 18 11  1  0  0  0  0
 17 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  1  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 27  1  0  0  0  0
 31 34  1  0  0  0  0
 25 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (44)
280

>  <Formula> (44)
C30H33ClN4O2

>  <MolWeight> (44)
517.06162

>  <Cat> (44)
S1452

>  <Name> (44)
Ispinesib (SB-715992)

>  <Synonyms> (44)
N/A 

>  <Target> (44)
Kinesin

>  <Form> (44)
Free Base

>  <CAS> (44)
336113-53-2

>  <URL> (44)
http://www.selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

$$$$
PHA-6806320.cdx
csChFnd80/01292311242D

 37 41  0  0  0  0  0  0  0  0999 V2000
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1226056-71-8

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864082-47-3

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593960-11-3

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C29H27F3N6O

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Ponatinib (AP24534)

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N/A 

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Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (49)
Free Base

>  <CAS> (49)
943319-70-8

>  <URL> (49)
http://www.selleckchem.com/products/AP24534.html

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317

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C24H22O6

>  <MolWeight> (50)
406.42788

>  <Cat> (50)
S2238

>  <Name> (50)
Palomid 529

>  <Synonyms> (50)
P529

>  <Target> (50)
mTOR

>  <Form> (50)
Free Base

>  <CAS> (50)
914913-88-5

>  <URL> (50)
http://www.selleckchem.com/products/Palomid-529-P529.html

$$$$
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XL765

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N/A 

>  <Target> (51)
PI3K, mTOR

>  <Form> (51)
Free Base

>  <CAS> (51)
1349796-36-6

>  <URL> (51)
http://www.selleckchem.com/products/XL765(SAR245409).html#

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AZD8055

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N/A 

>  <Target> (52)
mTOR

>  <Form> (52)
Free Base

>  <CAS> (52)
1009298-09-2

>  <URL> (52)
http://www.selleckchem.com/products/AZD8055.html

$$$$
PHT-427.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (53)
341

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PHT-427

>  <Synonyms> (53)
N/A 

>  <Target> (53)
Akt, PDK-1

>  <Form> (53)
Free Base

>  <CAS> (53)
1191951-57-1

>  <URL> (53)
http://www.selleckchem.com/products/PHT-427.html

$$$$
AT7867.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (54)
344

>  <Formula> (54)
C20H20ClN3

>  <MolWeight> (54)
337.8459

>  <Cat> (54)
S1558

>  <Name> (54)
AT7867

>  <Synonyms> (54)
N/A

>  <Target> (54)
Akt, S6 kinase

>  <Form> (54)
Free Base

>  <CAS> (54)
857531-00-1

>  <URL> (54)
http://www.selleckchem.com/products/AT7867.html

$$$$
KU-60019.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (55)
350

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C30H33N3O5S

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KU-60019

>  <Synonyms> (55)
N/A

>  <Target> (55)
ATM 

>  <Form> (55)
Free Base

>  <CAS> (55)
925701-49-1

>  <URL> (55)
http://www.selleckchem.com/products/KU-60019.html

$$$$
Fasudil HCl.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (56)
352

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C14H18ClN3O2S

>  <MolWeight> (56)
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>  <Cat> (56)
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>  <Name> (56)
Fasudil HCl (HA-1077)

>  <Synonyms> (56)
AT-877 

>  <Target> (56)
ROCK

>  <Form> (56)
Hydrochloride

>  <CAS> (56)
105628-07-7

>  <URL> (56)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
ALBENZA (albendazole).cdx
csChFnd80/01292311242D

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  4  7  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (57)
384

>  <Formula> (57)
C12H15N3O2S

>  <MolWeight> (57)
265.3314

>  <Cat> (57)
S1640

>  <Name> (57)
Albendazole (Albenza)

>  <Synonyms> (57)
Albenza, Eskazole, Zentel, Andazol 

>  <Target> (57)
Microtubule Associated

>  <Form> (57)
Free Base

>  <CAS> (57)
54965-21-8

>  <URL> (57)
http://www.selleckchem.com/products/Albendazole(Albenza).html

$$$$
Artemisinin.cdx
csChFnd80/01292311242D

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 11  5  1  0  0  0  0
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 16  8  1  0  0  0  0
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M  END
>  <Mol_ID> (58)
390

>  <Formula> (58)
C15H22O5

>  <MolWeight> (58)
282.33218

>  <Cat> (58)
S1282

>  <Name> (58)
Artemisinin

>  <Synonyms> (58)
Qinghaosu

>  <Target> (58)
Antifection

>  <Form> (58)
Free Base

>  <CAS> (58)
63968-64-9

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

$$$$
APRISO (mesalamine).cdx
csChFnd80/01292311242D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (59)
410

>  <Formula> (59)
C7H7NO3

>  <MolWeight> (59)
153.13538

>  <Cat> (59)
S1681

>  <Name> (59)
Mesalamine (Lialda)

>  <Synonyms> (59)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (59)
I¦ÊB/IKK

>  <Form> (59)
Free Base

>  <CAS> (59)
89-57-6

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

$$$$
DCC-2036.cdx
csChFnd80/01292311242D

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    9.5160    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    2.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1449    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (60)
427

>  <Formula> (60)
C30H28FN7O3

>  <MolWeight> (60)
553.5868232

>  <Cat> (60)
S2634

>  <Name> (60)
DCC-2036 (Rebastinib)

>  <Synonyms> (60)
N/A 

>  <Target> (60)
Bcr-Abl

>  <Form> (60)
Free Base

>  <CAS> (60)
1020172-07-9

>  <URL> (60)
http://www.selleckchem.com/products/dcc-2036.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/01292311242D

 10  8  0  0  0  0  0  0  0  0999 V2000
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    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (61)
486

>  <Formula> (61)
C4H12ClN5

>  <MolWeight> (61)
165.62458

>  <Cat> (61)
S1950

>  <Name> (61)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (61)
Glucophage, Riomet, Diabex

>  <Target> (61)
Others

>  <Form> (61)
Hydrochloride

>  <CAS> (61)
1115-70-4

>  <URL> (61)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/01292311242D

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912999-49-6

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252935-94-7

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554

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NVP-BGT226

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N/A 

>  <Target> (66)
PI3K, mTOR

>  <Form> (66)
Maleate

>  <CAS> (66)
1245537-68-1

>  <URL> (66)
http://www.selleckchem.com/products/nvp-bgt226.html

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>  <Mol_ID> (67)
556

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C25H21N7O3

>  <MolWeight> (67)
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>  <Cat> (67)
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>  <Name> (67)
YM201636

>  <Synonyms> (67)
N/A

>  <Target> (67)
PI3K 

>  <Form> (67)
Free Base

>  <CAS> (67)
371942-69-7

>  <URL> (67)
http://www.selleckchem.com/products/ym201636.html

$$$$
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>  <Mol_ID> (68)
560

>  <Formula> (68)
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>  <MolWeight> (68)
574.66248

>  <Cat> (68)
S2685

>  <Name> (68)
KW-2478

>  <Synonyms> (68)
N/A

>  <Target> (68)
HSP

>  <Form> (68)
Free Base

>  <CAS> (68)
819812-04-9

>  <URL> (68)
http://www.selleckchem.com/products/kw-2478.html

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563

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>  <Target> (69)
PDK-1, IKK

>  <Form> (69)
Free Base

>  <CAS> (69)
702675-74-9

>  <URL> (69)
http://www.selleckchem.com/products/bx-795.html

$$$$
BX-912.cdx
csChFnd80/01292311242D

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564

>  <Formula> (70)
C20H23BrN8O

>  <MolWeight> (70)
471.35362

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BX-912

>  <Synonyms> (70)
N/A

>  <Target> (70)
PDK-1 

>  <Form> (70)
Free Base

>  <CAS> (70)
702674-56-4

>  <URL> (70)
http://www.selleckchem.com/products/bx-912.html

$$$$
CUDC-907.cdx
csChFnd80/01292311242D

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572

>  <Formula> (71)
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>  <Name> (71)
CUDC-907

>  <Synonyms> (71)
N/A

>  <Target> (71)
HDAC, PI3K

>  <Form> (71)
Free Base

>  <CAS> (71)
1339928-25-4

>  <URL> (71)
http://www.selleckchem.com/products/cudc-907.html

$$$$
Nocodazole.cdx
csChFnd80/01292311242D

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579

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C14H11N3O3S

>  <MolWeight> (72)
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>  <Cat> (72)
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>  <Name> (72)
Nocodazole

>  <Synonyms> (72)
N/A 

>  <Target> (72)
Microtubule Associated

>  <Form> (72)
Free Base

>  <CAS> (72)
31430-18-9

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

$$$$
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PI3K

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Free Base

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1217486-61-7

>  <URL> (78)
http://www.selleckchem.com/products/byl719.html

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761437-28-9

>  <URL> (79)
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>  <URL> (80)
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627

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Salidroside (Rhodioloside)

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Rhodioloside

>  <Target> (81)
Others

>  <Form> (81)
Free Base

>  <CAS> (81)
10338-51-9

>  <URL> (81)
http://www.selleckchem.com/products/Salidroside-Rhodioloside.html

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N/A

>  <Target> (82)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (82)
Free Base

>  <CAS> (82)
1000669-72-6

>  <URL> (82)
http://www.selleckchem.com/products/KW-2449.html

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Daphnetin

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N/A 

>  <Target> (83)
DNA/RNA Synthesis

>  <Form> (83)
Free Base

>  <CAS> (83)
486-35-1

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

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665

>  <Formula> (84)
C31H34Cl2N2O3

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S2182

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SB743921 HCl

>  <Synonyms> (84)
N/A

>  <Target> (84)
Kinesin

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Hydrochloride

>  <CAS> (84)
940929-33-9

>  <URL> (84)
http://www.selleckchem.com/products/SB-743921.html

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C24H30N6O2

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CYT997

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N/A

>  <Target> (85)
Microtubule Associated

>  <Form> (85)
Free Base

>  <CAS> (85)
917111-44-5

>  <URL> (85)
http://www.selleckchem.com/products/CYT997.html

$$$$
NVP-BHG712.cdx
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676

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C26H20F3N7O

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N/A

>  <Target> (86)
VEGFR, Src, Raf, Bcr-Abl

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Free Base

>  <CAS> (86)
940310-85-0

>  <URL> (86)
http://www.selleckchem.com/products/NVP-BHG712.html

$$$$
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csChFnd80/01292311242D

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>  <Mol_ID> (87)
678

>  <Formula> (87)
C22H19N7O

>  <MolWeight> (87)
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PIK-293

>  <Synonyms> (87)
N/A

>  <Target> (87)
PI3K

>  <Form> (87)
Free Base

>  <CAS> (87)
900185-01-5 

>  <URL> (87)
http://www.selleckchem.com/products/PIK-293.html

$$$$
PP442.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (88)
684

>  <Formula> (88)
C16H16N6O

>  <MolWeight> (88)
308.33784

>  <Cat> (88)
S2218

>  <Name> (88)
Torkinib (PP242)

>  <Synonyms> (88)
TORKinib 

>  <Target> (88)
mTOR

>  <Form> (88)
Free Base

>  <CAS> (88)
1092351-67-1

>  <URL> (88)
http://www.selleckchem.com/products/PP242.html

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (89)
705

>  <Formula> (89)
C20H18ClNO4

>  <MolWeight> (89)
371.81422

>  <Cat> (89)
S2271

>  <Name> (89)
Berberine chloride

>  <Synonyms> (89)
N/A

>  <Target> (89)
Antifection

>  <Form> (89)
chloride

>  <CAS> (89)
633-65-8

>  <URL> (89)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

$$$$
Honokiol.cdx
csChFnd80/01292311242D

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    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> (90)
730

>  <Formula> (90)
C18H18O2

>  <MolWeight> (90)
266.33432

>  <Cat> (90)
S2310

>  <Name> (90)
Honokiol

>  <Synonyms> (90)
N/A

>  <Target> (90)
Akt, MEK

>  <Form> (90)
Free Base

>  <CAS> (90)
35354-74-6

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

$$$$
Myricitrin.cdx
csChFnd80/01292311242D

 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> (91)
743

>  <Formula> (91)
C21H20O12

>  <MolWeight> (91)
464.3763

>  <Cat> (91)
S2327

>  <Name> (91)
Myricitrin (Myricitrine)

>  <Synonyms> (91)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (91)
PKC

>  <Form> (91)
Free Base

>  <CAS> (91)
17912-87-7

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

$$$$
Oridonin.cdx
csChFnd80/01292311242D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.5553    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5553    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7677    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5097    5.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1465    5.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    6.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    6.8823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9105    8.4019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4641    6.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1677    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1062    7.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    3.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5654    1.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3429    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1884    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778    4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8719    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624    7.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980    9.1019    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
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15  9  1  0  0  0  0
  9  7  1  1  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  2  0  0  0  0
 10 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  6  0  0  0
  1 21  1  6  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  5 24  1  1  0  0  0
  6 25  1  1  0  0  0
 25 26  1  0  0  0  0
  7 26  1  1  0  0  0
 12 27  1  6  0  0  0
 13 28  1  6  0  0  0
M  END
>  <Mol_ID> (92)
749

>  <Formula> (92)
C20H28O6

>  <MolWeight> (92)
364.43272

>  <Cat> (92)
S2335

>  <Name> (92)
Oridonin (Isodonol)

>  <Synonyms> (92)
Isodonol

>  <Target> (92)
Others

>  <Form> (92)
Free Base

>  <CAS> (92)
28957-04-2

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/01292311242D

 24 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  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
    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
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    3.8440    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
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (93)
759

>  <Formula> (93)
C15H14O9

>  <MolWeight> (93)
338.26626

>  <Cat> (93)
S2347

>  <Name> (93)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (93)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (93)
Others

>  <Form> (93)
Dihydrate

>  <CAS> (93)
6151-25-3

>  <URL> (93)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/01292311242D

 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  1  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
    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
    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
   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  1  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  1  0  0  0
  9 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (94)
764

>  <Formula> (94)
C15H12O8

>  <MolWeight> (94)
320.25098

>  <Cat> (94)
S2399

>  <Name> (94)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (94)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (94)
Others

>  <Form> (94)
Free Base

>  <CAS> (94)
27200-12-0

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

$$$$
Sophocarpine.cdx
csChFnd80/01292311242D

 22 25  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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M  END
>  <Mol_ID> (95)
767

>  <Formula> (95)
C15H22N2O

>  <MolWeight> (95)
246.34798

>  <Cat> (95)
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Sophocarpine

>  <Synonyms> (95)
N/A

>  <Target> (95)
Others

>  <Form> (95)
Free Base

>  <CAS> (95)
6483-15-4

>  <URL> (95)
http://www.selleckchem.com/products/Sophocarpine.html

$$$$
Imatinib.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (96)
786

>  <Formula> (96)
C29H31N7O

>  <MolWeight> (96)
493.60274

>  <Cat> (96)
S2475

>  <Name> (96)
Imatinib (STI571) 

>  <Synonyms> (96)
STI571, Glivec

>  <Form> (96)
Free Base

>  <CAS> (96)
152459-95-5

>  <URL> (96)
http://www.selleckchem.com/products/Imatinib(STI571).html

$$$$
TAK-901.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (97)
792

>  <Formula> (97)
C28H32N4O3S

>  <MolWeight> (97)
504.64368

>  <Cat> (97)
S2718

>  <Name> (97)
TAK-901

>  <Synonyms> (97)
N/A

>  <Target> (97)
Aurora Kinase

>  <Form> (97)
Free Base

>  <CAS> (97)
934541-31-8

>  <URL> (97)
http://www.selleckchem.com/products/tak-901.html

$$$$
AMG900.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (98)
795

>  <Formula> (98)
C28H21N7OS

>  <MolWeight> (98)
503.57764

>  <Cat> (98)
S2719

>  <Name> (98)
AMG 900

>  <Synonyms> (98)
N/A

>  <Target> (98)
Aurora Kinase

>  <Form> (98)
Free Base

>  <CAS> (98)
945595-80-2

>  <URL> (98)
http://www.selleckchem.com/products/amg-900.html

$$$$

csChFnd80/01292311242D

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M  END
>  <Mol_ID> (99)
798

>  <Formula> (99)
C22H30Cl2N4O6

>  <MolWeight> (99)
517.4028

>  <Cat> (99)
S2485

>  <Name> (99)
Mitoxantrone 2HCl

>  <Synonyms> (99)
NSC-301739

>  <Target> (99)
Topoisomerase

>  <Form> (99)
Dihydrochloride

>  <CAS> (99)
70476-82-3

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

$$$$
GSK2126458.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (100)
808

>  <Formula> (100)
C25H17F2N5O3S

>  <MolWeight> (100)
505.4959864

>  <Cat> (100)
S2658

>  <Name> (100)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (100)
N/A 

>  <Target> (100)
PI3K, mTOR

>  <Form> (100)
Free Base

>  <CAS> (100)
1086062-66-9 

>  <URL> (100)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
fty720.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (101)
834

>  <Formula> (101)
C19H34ClNO2

>  <MolWeight> (101)
343.93176

>  <Cat> (101)
S5002

>  <Name> (101)
Fingolimod (FTY720) HCl

>  <Synonyms> (101)
Gilenia 

>  <Target> (101)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (101)
Hydrochloride

>  <URL> (101)
http://www.selleckchem.com/products/FTY720.html

$$$$
CAL-1011.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (102)
838

>  <Formula> (102)
C22H18FN7O

>  <MolWeight> (102)
415.4230232

>  <Cat> (102)
S2226

>  <Name> (102)
CAL-101 (GS-1101)

>  <Synonyms> (102)
CAL101

>  <Target> (102)
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AMPK

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834-28-6

>  <URL> (104)
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873697-71-3

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1092788-83-4

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PI3K

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944396-07-0

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Akt

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Free Base

>  <CAS> (109)
885499-61-6

>  <URL> (109)
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PI3K

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Free Base

>  <CAS> (110)
1166227-08-2 

>  <URL> (110)
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N/A

>  <Target> (120)
GSK-3

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Free Base

>  <CAS> (120)
601514-19-6

>  <URL> (120)
http://www.selleckchem.com/products/TWS119.html

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C21H27N7O3

>  <MolWeight> (121)
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>  <Synonyms> (121)
N/A

>  <Target> (121)
Akt

>  <Form> (121)
Free Base

>  <CAS> (121)
937174-76-0

>  <URL> (121)
http://www.selleckchem.com/products/GSK690693.html

$$$$
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908

>  <Formula> (122)
C33H32N4O4

>  <MolWeight> (122)
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>  <Synonyms> (122)
N/A

>  <Target> (122)
Wnt/beta-catenin

>  <Form> (122)
Free Base

>  <CAS> (122)
780757-88-2

>  <URL> (122)
http://www.selleckchem.com/products/icg-001.html

$$$$
SNX5422.cdx
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>  <Mol_ID> (123)
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>  <Formula> (123)
C25H30F3N5O4

>  <MolWeight> (123)
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>  <Cat> (123)
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>  <Name> (123)
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>  <Synonyms> (123)
N/A 

>  <Target> (123)
HSP

>  <Form> (123)
Free Base

>  <CAS> (123)
908115-27-5

>  <URL> (123)
http://www.selleckchem.com/products/pf-04929113.html

$$$$
Geldanamycin.cdx
csChFnd80/01292311242D

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916

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C29H40N2O9

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S2713

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Geldanamycin

>  <Synonyms> (124)
N/A

>  <Target> (124)
HSP

>  <Form> (124)
Free Base

>  <CAS> (124)
30562-34-6

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

$$$$
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>  <Mol_ID> (125)
927

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C24H32N6O3

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S2731

>  <Name> (125)
AZ 3146

>  <Synonyms> (125)
N/A

>  <Target> (125)
Kinesin

>  <Form> (125)
Free Base

>  <CAS> (125)
1124329-14-1

>  <URL> (125)
http://www.selleckchem.com/products/az-3146.html

$$$$
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>  <Mol_ID> (126)
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CH5132799

>  <Synonyms> (126)
N/A

>  <Target> (126)
PI3K, mTOR

>  <Form> (126)
Free Base

>  <CAS> (126)
1007207-67-1

>  <URL> (126)
http://www.selleckchem.com/products/ch5132799.html

$$$$
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1032754-93-0

>  <URL> (127)
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Free Base

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264218-23-7

>  <URL> (128)
http://www.selleckchem.com/products/sb-415286.html

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>  <Target> (129)
mTOR 

>  <Form> (129)
Free Base

>  <CAS> (129)
1224844-38-5

>  <URL> (129)
http://www.selleckchem.com/products/ink128.html

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Aurora Kinase

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1010085-13-8

>  <URL> (130)
http://www.selleckchem.com/products/mk-5108-vx-689.html

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>  <CAS> (131)
1013101-36-4 

>  <URL> (131)
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M  END
>  <Mol_ID> (132)
969

>  <Formula> (132)
C12H15N3O3S

>  <MolWeight> (132)
281.3308

>  <Cat> (132)
S1836

>  <Name> (132)
Albendazole Oxide (Ricobendazole)

>  <Synonyms> (132)
N/A 

>  <Target> (132)
Microtubule Associated

>  <Form> (132)
Free Base

>  <CAS> (132)
54029-12-8

>  <URL> (132)
http://www.selleckchem.com/products/albendazole-oxide-ricobendazole.html

$$$$
Cephalomannine.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (133)
996

>  <Formula> (133)
C45H53NO14

>  <MolWeight> (133)
831.90062

>  <Cat> (133)
S2408

>  <Name> (133)
Cephalomannine

>  <Synonyms> (133)
N/A

>  <Target> (133)
Others

>  <Form> (133)
Free Base

>  <CAS> (133)
71610-00-9

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

$$$$
Paeoniflorin.cdx
csChFnd80/01292311242D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (134)
1002

>  <Formula> (134)
C23H28O11

>  <MolWeight> (134)
480.46182

>  <Cat> (134)
S2410

>  <Name> (134)
Paeoniflorin

>  <Synonyms> (134)
N/A

>  <Target> (134)
Others

>  <Form> (134)
Free Base

>  <CAS> (134)
23180-57-6 

>  <URL> (134)
http://www.selleckchem.com/products/paeoniflorin.html

$$$$
AZD 6482.cdx
csChFnd80/01292311242D

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>  <CAS> (144)
126-07-8

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

$$$$
triclabendazole.cdx
csChFnd80/01292311242D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (145)
1365

>  <Formula> (145)
C14H9Cl3N2OS

>  <MolWeight> (145)
359.65806

>  <Cat> (145)
S4114

>  <Name> (145)
Triclabendazole

>  <Synonyms> (145)
N/A

>  <Target> (145)
Microtubule Associated

>  <Form> (145)
Free Base

>  <CAS> (145)
68786-66-3

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

$$$$
untitled.cdx
csChFnd80/01292311242D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.2572    1.2898    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 16  9  1  0  0  0  0
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  1 23  1  6  0  0  0
  2 22  1  6  0  0  0
M  END
>  <Mol_ID> (146)
1451

>  <Formula> (146)
C13H16N6O4

>  <MolWeight> (146)
320.30394

>  <Cat> (146)
S1117

>  <Name> (146)
Triciribine

>  <Synonyms> (146)
N/A

>  <Target> (146)
Akt

>  <Form> (146)
Free Base

>  <CAS> (146)
35943-35-2

>  <URL> (146)
http://www.selleckchem.com/products/Triciribine.html

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/01292311242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (147)
1453

>  <Formula> (147)
C8H7NO2S

>  <MolWeight> (147)
181.21168

>  <Cat> (147)
S2930

>  <Name> (147)
Pifithrin-¦Ì

>  <Synonyms> (147)
NSC 303580, PFT¦Ì

>  <Target> (147)
p53

>  <Form> (147)
Free Base

>  <CAS> (147)
64984-31-2

>  <URL> (147)
http://www.selleckchem.com/products/pifithrin-u.html

$$$$
Flufenamic acid.cdx
csChFnd80/01292311242D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 13 17  1  0  0  0  0
 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (148)
1477

>  <Formula> (148)
C14H10F3NO2

>  <MolWeight> (148)
281.2299096

>  <Cat> (148)
S4268

>  <Name> (148)
Flufenamic acid

>  <Synonyms> (148)
N/A

>  <Target> (148)
COX

>  <Form> (148)
Free Base

>  <CAS> (148)
530-78-9

>  <URL> (148)
http://www.selleckchem.com/products/flufenamic-acid.html

$$$$
Vinorelbine tartrate.cdx
csChFnd80/01292311242D

 79 85  0  0  0  0  0  0  0  0999 V2000
    6.7339    8.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9213    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (149)
1486

>  <Formula> (149)
C53H66N4O20

>  <MolWeight> (149)
1079.10594

>  <Cat> (149)
S4269

>  <Name> (149)
Vinorelbine Tartrate

>  <Synonyms> (149)
N/A

>  <Target> (149)
Microtubule Associated

>  <Form> (149)
Tartrate

>  <CAS> (149)
125317-39-7

>  <URL> (149)
http://www.selleckchem.com/products/vinorelbine-tartrate.html

$$$$
Vincristine Sulfate.cdx
csChFnd80/01292311242D

 68 75  0  0  0  0  0  0  0  0999 V2000
    5.3471    4.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (150)
1490

>  <Formula> (150)
C46H58N4O14S

>  <MolWeight> (150)
923.03612

>  <Cat> (150)
S1241

>  <Name> (150)
Vincristine Sulfate

>  <Synonyms> (150)
Leurocristine

>  <Target> (150)
Microtubule Associ

>  <Form> (150)
Free Base

>  <CAS> (150)
2068-78-2

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

$$$$
Meclofenamate sodium.cdx
csChFnd80/01292311242D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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 13  8  1  0  0  0  0
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 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (151)
1510

>  <Formula> (151)
C14H10Cl2NNaO2

>  <MolWeight> (151)
318.13047

>  <Cat> (151)
S4295

>  <Name> (151)
Meclofenamate sodium

>  <Synonyms> (151)
N/A

>  <Target> (151)
COX

>  <Form> (151)
Sodium Salt

>  <CAS> (151)
6385-02-0

>  <URL> (151)
http://www.selleckchem.com/products/meclofenamate-sodium.html

$$$$
Temsirolimus.cdx
csChFnd80/01292311242D

 73 76  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (152)
1523

>  <Formula> (152)
C56H87NO16

>  <MolWeight> (152)
1030.28708

>  <Cat> (152)
S1044

>  <Name> (152)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (152)
N/A

>  <Target> (152)
mTOR

>  <Form> (152)
Free Base

>  <CAS> (152)
162635-04-3

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

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (153)
1528

>  <Formula> (153)
C25H31N7O6

>  <MolWeight> (153)
525.55694

>  <Cat> (153)
S2018

>  <Name> (153)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (153)
N/A

>  <Target> (153)
FLT3

>  <Form> (153)
Free Base

>  <CAS> (153)
1291074-87-7

>  <URL> (153)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/01292311242D

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 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 38  1  0  0  0  0
 33 41  1  0  0  0  0
 32 33  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (154)
1549

>  <Formula> (154)
C32H37NO8

>  <MolWeight> (154)
563.63808

>  <Cat> (154)
S1238

>  <Name> (154)
Tamoxifen

>  <Synonyms> (154)
10540-29-1

>  <Target> (154)
Estrogen/progestogen Receptor

>  <Form> (154)
Free Base

>  <CAS> (154)
ICI 46474

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

$$$$
Vinblastine sulfate.cdx
csChFnd80/01292311242D

 67 74  0  0  0  0  0  0  0  0999 V2000
   10.3017    8.1853    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5141    8.8853    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2230   10.2547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8307   10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2613    9.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8456    8.4527    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8860    9.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5949   10.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2634   11.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3017    9.5853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6615   11.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3745   10.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7165    5.7954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0587    5.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0688    6.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4311    7.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5041    5.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3059    3.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7223    2.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9017    8.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3017    5.3853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    9.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793   10.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564   11.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   13.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521   13.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9832   14.8778    0.0000 N   0  0  1  0  0  0  0  0  0  0  0  0
    7.3479   15.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744   10.8014    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6720   12.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671   12.0096    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0570   12.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2814   14.1311    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3776   14.9941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6237   14.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6337   13.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671   10.6096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9416    5.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1540    6.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3623    5.4809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7334    6.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9520    1.3951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9520    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  2 10  1  6  0  0  0
  6 12  1  6  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  6  1  0  0  0  0
 15 16  1  1  0  0  0
 14 20  1  1  0  0  0
 14 21  1  6  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
 13 27  1  0  0  0  0
 26 27  1  0  0  0  0
 13 28  1  1  0  0  0
 27 29  1  0  0  0  0
 25 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 26  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 36  1  0  0  0  0
 39 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 40  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 47 46  1  1  0  0  0
 47 48  1  0  0  0  0
 43 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 49 31  1  6  0  0  0
 48 53  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  1  0  0  0
 53 56  1  6  0  0  0
 51 57  1  6  0  0  0
 47 58  1  0  0  0  0
 51 58  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  2  0  0  0  0
 59 62  1  0  0  0  0
 49 60  1  1  0  0  0
 11 12  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 55 56  1  0  0  0  0
 63 64  2  0  0  0  0
 63 65  2  0  0  0  0
 63 66  1  0  0  0  0
 63 67  1  0  0  0  0
M  END
>  <Mol_ID> (155)
1550

>  <Formula> (155)
C46H60N4O13S

>  <MolWeight> (155)
909.0526

>  <Cat> (155)
S4505

>  <Name> (155)
Vinblastine sulfate

>  <Synonyms> (155)
NSC49842

>  <Target> (155)
Microtubule Associated

>  <Form> (155)
Free Base

>  <CAS> (155)
143-67-9

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

$$$$
i-Inositol.cdx
csChFnd80/01292311242D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  1  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
    3.6373    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    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
    2.4249    0.0000    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
    4.8497    1.4000    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
  6  8  1  1  0  0  0
  5  9  1  1  0  0  0
  3 10  1  1  0  0  0
  2 11  1  6  0  0  0
  4 12  1  6  0  0  0
M  END
>  <Mol_ID> (156)
1565

>  <Formula> (156)
C6H12O6

>  <MolWeight> (156)
180.15588

>  <Cat> (156)
S4530

>  <Name> (156)
i-Inositol

>  <Synonyms> (156)
myo-inositol

>  <Target> (156)
Others

>  <Form> (156)
Free Base

>  <CAS> (156)
87-89-8

>  <URL> (156)
http://www.selleckchem.com/products/i-inositol.html

$$$$
Danthron.cdx
csChFnd80/01292311242D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4399    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    2.1134    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  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (157)
1579

>  <Formula> (157)
C14H8O4

>  <MolWeight> (157)
240.21092

>  <Cat> (157)
S4561

>  <Name> (157)
Danthron

>  <Synonyms> (157)
chrysazin, Antrapurol

>  <Target> (157)
Others

>  <Form> (157)
Free Base

>  <CAS> (157)
117-10-2

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

$$$$
Methylene Blue.cdx
csChFnd80/01292311242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0477    3.0335    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (158)
1584

>  <Formula> (158)
C16H18ClN3S

>  <MolWeight> (158)
319.85222

>  <Cat> (158)
S4535

>  <Name> (158)
Methylene Blue

>  <Synonyms> (158)
Basic Blue 9, Tetramethylthionine chloride, methylthioninium chloride, CI-52015

>  <Target> (158)
Others

>  <Form> (158)
Free Base

>  <CAS> (158)
61-73-4

>  <URL> (158)
http://www.selleckchem.com/products/methylene-blue.html

$$$$
S4711 Esculetin.cdx
csChFnd80/01292311242D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1683

>  <Formula> (159)
C9H6O4

>  <MolWeight> (159)
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Esculetin

>  <Synonyms> (159)
Cichorigenin|Aesculetin

>  <Target> (159)
Others

>  <Form> (159)
Free Base

>  <CAS> (159)
305-01-1

>  <URL> (159)
http://www.selleckchem.com/products/esculetin.html

$$$$
S4743 Wogonin.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (160)
1714

>  <Formula> (160)
C16H12O5

>  <MolWeight> (160)
284.26348

>  <Cat> (160)
S4743

>  <Name> (160)
Wogonin

>  <Synonyms> (160)
Vogonin

>  <Target> (160)
CDK

>  <Form> (160)
Free Base

>  <CAS> (160)
632-85-9

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

$$$$
NS-187.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (161)
1726

>  <Formula> (161)
C30H31F3N8O

>  <MolWeight> (161)
576.6153496

>  <Cat> (161)
S1369

>  <Name> (161)
Bafetinib (INNO-406)

>  <Synonyms> (161)
NS-187

>  <Target> (161)
Abl,Lyn

>  <Form> (161)
Free Base

>  <CAS> (161)
859212-16-1

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

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/01292311242D

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>  <Mol_ID> (162)
1728

>  <Formula> (162)
C37H42Cl2N2O6

>  <MolWeight> (162)
681.64518

>  <Cat> (162)
S3609

>  <Name> (162)
Berbamine (dihydrochloride)

>  <Synonyms> (162)
N/A

>  <Target> (162)
NF-¦ÊB,bcr/abl

>  <Form> (162)
dihydrochloride

>  <CAS> (162)
6078-17-7

>  <URL> (162)
http://www.selleckchem.com/products/berbamine-dihydrochloride.html

$$$$
S3606 Fangchinoline.cdx
csChFnd80/01292311242D

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   11.2414   10.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5568    7.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0789    4.9592    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  2  0  0  0  0
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M  END
>  <Mol_ID> (163)
1731

>  <Formula> (163)
C37H40N2O6

>  <MolWeight> (163)
608.7233

>  <Cat> (163)
S3606

>  <Name> (163)
Fangchinoline

>  <Synonyms> (163)
N/A

>  <Target> (163)
HIV-1

>  <Form> (163)
free base

>  <CAS> (163)
33889-68-8

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

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/01292311242D

  7  6  0  0  0  0  0  0  0  0999 V2000
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    1.2189    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6436    1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0887    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
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (164)
1740

>  <Formula> (164)
C4H7NO2

>  <MolWeight> (164)
101.10388

>  <Cat> (164)
S3699

>  <Name> (164)
2,3-Butanedione-2-monoxime

>  <Synonyms> (164)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (164)
skeletal muscle myosin-II

>  <Form> (164)
free base

>  <CAS> (164)
57-71-6

>  <URL> (164)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/01292311242D

 47 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (165)
1746

>  <Formula> (165)
C37H40N2O6

>  <MolWeight> (165)
608.7233

>  <Cat> (165)
S3611

>  <Name> (165)
(+)-Fangchinoline

>  <Synonyms> (165)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (165)
Others

>  <Form> (165)
free base

>  <CAS> (165)
436-77-1

>  <URL> (165)
http://www.selleckchem.com/products/s-s-fangchinoline.html

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/01292311242D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6085    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    2.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0849    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
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  2  5  1  0  0  0  0
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 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (166)
1750

>  <Formula> (166)
C9H10O4

>  <MolWeight> (166)
182.1733

>  <Cat> (166)
S3630

>  <Name> (166)
Methyl Vanillate

>  <Synonyms> (166)
N/A

>  <Target> (166)
Wnt/¦Â-Catenin

>  <Form> (166)
free base

>  <CAS> (166)
3943-74-6

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

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/01292311242D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (167)
1765

>  <Formula> (167)
C11H8O3

>  <MolWeight> (167)
188.17942

>  <Cat> (167)
S3661

>  <Name> (167)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (167)
N/A

>  <Target> (167)
PKC

>  <Form> (167)
free base

>  <CAS> (167)
2348-82-5

>  <URL> (167)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3714 Lifitegrast.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (168)
1808

>  <Formula> (168)
C29H24Cl2N2O7S

>  <MolWeight> (168)
615.48106

>  <Cat> (168)
S3714

>  <Name> (168)
Lifitegrast

>  <Synonyms> (168)
SAR1118

>  <Target> (168)
Integrin

>  <Form> (168)
free base

>  <CAS> (168)
1025967-78-5

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

$$$$
Colchicine.cdx
csChFnd80/01292311242D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (169)
1841

>  <Formula> (169)
C22H25NO6

>  <MolWeight> (169)
399.437

>  <Cat> (169)
S2284

>  <Name> (169)
Colchicine

>  <Synonyms> (169)
Colchineos, Colchisol, Colcin

>  <Target> (169)
Microtubule Associated inhibitor 

>  <Form> (169)
free base

>  <CAS> (169)
64-86-8

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

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/01292311242D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (170)
1863

>  <Formula> (170)
C6H13NO4

>  <MolWeight> (170)
163.17172

>  <Cat> (170)
S3839

>  <Name> (170)
1-Deoxynojirimycin

>  <Synonyms> (170)
duvoglustat, moranolin

>  <Target> (170)
¦Á-glucosidase

>  <Form> (170)
free base

>  <CAS> (170)
19130-96-2

>  <URL> (170)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/01292311242D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (171)
1867

>  <Formula> (171)
C19H20O5

>  <MolWeight> (171)
328.3591

>  <Cat> (171)
S3819

>  <Name> (171)
Decursinol angelate

>  <Synonyms> (171)
N/A

>  <Target> (171)
PKC

>  <Form> (171)
free base

>  <CAS> (171)
130848-06-5

>  <URL> (171)
http://www.selleckchem.com/products/decursinol-angelate.html

$$$$
S3836 6-Gingerol.cdx
csChFnd80/01292311242D

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 12 13  1  0  0  0  0
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 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (172)
1880

>  <Formula> (172)
C17H26O4

>  <MolWeight> (172)
294.38594

>  <Cat> (172)
S3836

>  <Name> (172)
6-Gingerol

>  <Synonyms> (172)
CI-1011

>  <Target> (172)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (172)
free base

>  <CAS> (172)
23513-14-6

>  <URL> (172)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/01292311242D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    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
    4.8497    7.7000    0.0000 O   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
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  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
    8.4870    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    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
   10.9119   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 23 14  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 27 29  1  6  0  0  0
 29 30  1  0  0  0  0
 26 31  1  1  0  0  0
 25 32  1  6  0  0  0
 24 33  1  1  0  0  0
M  END
>  <Mol_ID> (173)
1884

>  <Formula> (173)
C21H20O12

>  <MolWeight> (173)
464.3763

>  <Cat> (173)
S3842

>  <Name> (173)
Isoquercitrin

>  <Synonyms> (173)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (173)
Wnt/¦Â-catenin

>  <Form> (173)
free base

>  <CAS> (173)
482-35-9

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

$$$$
S3783 Echinacoside.cdx
csChFnd80/01292311242D

 55 59  0  0  0  0  0  0  0  0999 V2000
    9.7655    7.3069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4955    6.1066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4383    8.5218    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3657    7.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8638    6.1068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7941    4.8950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8689    8.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7397    9.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6719    8.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5767    7.3146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5623    4.8935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4954    3.6771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4391   10.9431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2671    8.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9767    7.3129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9113    3.6527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5697    9.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6781    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4788    1.2519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4070    2.4328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6101    2.4449    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3857   13.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3366   12.1269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1686    9.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0781    8.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9140    1.2133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7774    0.0403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0101    2.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6632   14.5702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6199   13.3015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6351   10.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4783    8.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4904   10.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7795    9.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3646   15.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0639   10.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1807    9.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1055   10.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5804   15.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.2912   10.9411    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  1  0  0  0  0
  3  8  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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 12  6  1  6  0  0  0
  7 10  1  0  0  0  0
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 10 16  1  1  0  0  0
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 19 13  1  1  0  0  0
 14 20  2  0  0  0  0
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 22 30  1  1  0  0  0
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 24 29  1  0  0  0  0
 25 32  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  6  0  0  0
 27 35  1  0  0  0  0
 27 36  2  0  0  0  0
 28 37  1  0  0  0  0
 29 38  1  6  0  0  0
 32 39  1  0  0  0  0
 32 40  1  1  0  0  0
 33 41  1  1  0  0  0
 33 39  1  0  0  0  0
 35 42  2  0  0  0  0
 36 43  1  0  0  0  0
 37 44  2  0  0  0  0
 37 45  1  0  0  0  0
 39 46  1  6  0  0  0
 40 47  1  0  0  0  0
 42 48  1  0  0  0  0
 42 49  1  0  0  0  0
 43 48  2  0  0  0  0
 44 50  1  0  0  0  0
 45 51  2  0  0  0  0
 48 52  1  0  0  0  0
 50 53  2  0  0  0  0
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 51 53  1  0  0  0  0
 53 55  1  0  0  0  0
M  END
>  <Mol_ID> (174)
1901

>  <Formula> (174)
C35H46O20

>  <MolWeight> (174)
786.72774

>  <Cat> (174)
S3783

>  <Name> (174)
Echinacoside

>  <Synonyms> (174)
N/A

>  <Target> (174)
Others

>  <Form> (174)
free base

>  <CAS> (174)
82854-37-3

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

$$$$
S3933 10-deacetyl-paclitaxel,10-DAT.cdx
csChFnd80/01292311242D

 61 67  0  0  0  0  0  0  0  0999 V2000
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   18.0308    5.6314    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   18.3480    4.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5879    6.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7545    3.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 57 59  2  0  0  0  0
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M  END
>  <Mol_ID> (175)
1912

>  <Formula> (175)
C45H49NO13

>  <MolWeight> (175)
811.86946

>  <Cat> (175)
S3933

>  <Name> (175)
10-deacetyl-paclitaxel

>  <Synonyms> (175)
10-DAT, Deacetyl Paclitaxel

>  <Target> (175)
Others

>  <Form> (175)
free base

>  <CAS> (175)
78432-77-6

>  <URL> (175)
http://www.selleckchem.com/products/10-deacetyl-paclitaxel.html

$$$$
S3802 Trigonelline Hydrochloride.cdx
csChFnd80/01292311242D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.4322    2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4242    3.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074    2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    4.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    5.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    3.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    1.1689    0.0000 Cl  0  5  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
  7  9  1  0  0  0  0
  2  7  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (176)
1942

>  <Formula> (176)
C7H8ClNO2

>  <MolWeight> (176)
173.59692

>  <Cat> (176)
S3802

>  <Name> (176)
Trigonelline Hydrochloride

>  <Synonyms> (176)
Nicotinic acid N-methylbetaine Hydrochloride, Coffearine Hydrochloride, Coffearine Hydrochloride

>  <Target> (176)
Others

>  <Form> (176)
chloride

>  <CAS> (176)
6138-41-6

>  <URL> (176)
http://www.selleckchem.com/products/trigonelline-hydrochloride.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/01292311242D

 58 65  0  0  0  0  0  0  0  0999 V2000
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    7.2549    9.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480    9.2364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9007    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090   11.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465    6.3343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   15.2364   10.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2474    2.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4215    4.2517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4161    6.3429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6298    8.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4317    2.8980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.6339    4.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0266   14.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6441    2.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    8.4319    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    6.3378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1841   15.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1448   15.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8692   13.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 13 18  1  0  0  0  0
 14 21  1  0  0  0  0
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 15 23  1  0  0  0  0
 24 17  1  1  0  0  0
 18 25  1  1  0  0  0
 21 26  1  0  0  0  0
 21 23  1  0  0  0  0
 21 57  1  6  0  0  0
 23 27  1  1  0  0  0
 24 28  1  0  0  0  0
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 30 25  1  1  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  6  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 30 37  1  0  0  0  0
 31 38  1  0  0  0  0
 32 39  1  0  0  0  0
 34 40  1  0  0  0  0
 34 41  1  1  0  0  0
 35 42  1  1  0  0  0
 35 40  1  0  0  0  0
 36 43  1  0  0  0  0
 36 44  1  6  0  0  0
 37 45  1  0  0  0  0
 38 46  1  1  0  0  0
 38 39  1  0  0  0  0
 40 47  1  6  0  0  0
 41 48  1  0  0  0  0
 43 49  1  0  0  0  0
 43 50  1  1  0  0  0
 45 49  1  0  0  0  0
 46 51  1  0  0  0  0
 46 52  1  0  0  0  0
 46 53  1  0  0  0  0
 49 54  1  6  0  0  0
 29 58  1  6  0  0  0
M  END
>  <Mol_ID> (177)
1952

>  <Formula> (177)
C41H68O14

>  <MolWeight> (177)
784.97022

>  <Cat> (177)
S3901

>  <Name> (177)
Astragaloside IV

>  <Synonyms> (177)
AST-IV, AS-IV

>  <Target> (177)
Others

>  <Form> (177)
free base

>  <CAS> (177)
84687-43-4

>  <URL> (177)
http://www.selleckchem.com/products/sastragaloside-iv.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/01292311242D

 32 37  0  0  0  0  0  0  0  0999 V2000
    6.0576    3.5342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2155    4.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    3.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168    5.6360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6325    4.9289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6263    3.5288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8359    2.8234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0574    4.9185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2654    5.6136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    4.8968    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4490    3.5006    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8595    3.4670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8789    4.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    5.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.1356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4354    2.1073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2162    1.4191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.0379    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
 11  1  1  0  0  0  0
  1  7  1  6  0  0  0
  1 15  1  0  0  0  0
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  2 23  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4 20  1  1  0  0  0
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  5 21  1  1  0  0  0
  5  6  1  0  0  0  0
  6 22  1  1  0  0  0
  6  7  1  0  0  0  0
  7 25  1  1  0  0  0
  8 18  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 14 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 26  1  6  0  0  0
 12 13  1  0  0  0  0
 13 24  2  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  1  0  0  0
 16 17  1  0  0  0  0
 16 27  1  6  0  0  0
 17 29  1  6  0  0  0
 18 19  1  0  0  0  0
 18 28  2  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (178)
1954

>  <Formula> (178)
C20H24O11

>  <MolWeight> (178)
440.39796

>  <Cat> (178)
S3781

>  <Name> (178)
Ginkgolide C

>  <Synonyms> (178)
BN-52022

>  <Target> (178)
Others

>  <Form> (178)
free base

>  <CAS> (178)
15291-76-6

>  <URL> (178)
http://www.selleckchem.com/products/ginkgolide-c.html

$$$$
S3794 Palmitic acid.cdx
csChFnd80/01292311242D

 18 17  0  0  0  0  0  0  0  0999 V2000
   12.1244    0.0000    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
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    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
   15.7617    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
   16.9741    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
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 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
M  END
>  <Mol_ID> (179)
1958

>  <Formula> (179)
C16H32O2

>  <MolWeight> (179)
256.42408

>  <Cat> (179)
S3794

>  <Name> (179)
Palmitic acid

>  <Synonyms> (179)
hexadecanoic acid, Cetylic acid

>  <Target> (179)
Others

>  <Form> (179)
free base

>  <CAS> (179)
21096

>  <URL> (179)
http://www.selleckchem.com/products/palmitic-acid.html

$$$$
INCB28060.cdx
csChFnd80/01292311242D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.9000    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
    3.6373    4.9000    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
    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   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  0  0  0  0  0  0  0  0  0  0
    9.8185    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2512    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7822    4.7401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6633    3.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1615    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7788    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8977    3.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5150    2.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6339    4.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1356    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5184    5.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3994    4.5211    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
    3.6373    6.3000    0.0000 F   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  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
 10 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 11 18  1  0  0  0  0
 12 16  2  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 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 20 29  1  0  0  0  0
 24 29  1  0  0  0  0
 19 26  1  0  0  0  0
 18 19  1  0  0  0  0
  5 15  1  0  0  0  0
  9 30  1  0  0  0  0
  3 31  1  0  0  0  0
M  END
>  <Mol_ID> (180)
1975

>  <Formula> (180)
C23H17FN6O

>  <MolWeight> (180)
412.4190832

>  <Cat> (180)
S2788

>  <Name> (180)
Capmatinib (INCB28060)

>  <Synonyms> (180)
N/A

>  <Target> (180)
c-Met 

>  <Form> (180)
Free Base

>  <CAS> (180)
1029712-80-8

>  <URL> (180)
http://www.selleckchem.com/products/incb28060.html

$$$$
Torin 1.cdx
csChFnd80/01292311242D

 45 51  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 N   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
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    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
    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
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   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
    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
    2.4249    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
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    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
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    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    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
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 N   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
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    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
    1.2124   10.5000    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  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
  1 10  1  0  0  0  0
  5 10  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
  8 14  2  0  0  0  0
  9 11  2  0  0  0  0
  2 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 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
 16 25  1  0  0  0  0
 20 25  1  0  0  0  0
 12 18  1  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 31  1  0  0  0  0
 26 31  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 28 32  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 36 41  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 42 45  2  0  0  0  0
 39 42  1  0  0  0  0
 29 36  1  0  0  0  0
  1 26  1  0  0  0  0
M  END
>  <Mol_ID> (181)
1980

>  <Formula> (181)
C35H28F3N5O2

>  <MolWeight> (181)
607.6243296

>  <Cat> (181)
S2827

>  <Name> (181)
Torin 1

>  <Synonyms> (181)
N/A 

>  <Target> (181)
mTOR

>  <Form> (181)
Free Base

>  <CAS> (181)
1222998-36-8

>  <URL> (181)
http://www.selleckchem.com/products/torin-1.html

$$$$
TG 100713.cdx
csChFnd80/01292311242D

 19 21  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   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
    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
    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
    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
    4.8497    0.0000    0.0000 N   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    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    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  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  7 16  2  0  0  0  0
 11 16  1  0  0  0  0
 10 17  1  0  0  0  0
  8 18  1  0  0  0  0
  3 13  1  0  0  0  0
  1 19  1  0  0  0  0
M  END
>  <Mol_ID> (182)
1985

>  <Formula> (182)
C12H10N6O

>  <MolWeight> (182)
254.2474

>  <Cat> (182)
S2870

>  <Name> (182)
TG 100713

>  <Synonyms> (182)
N/A

>  <Target> (182)
PI3K

>  <Form> (182)
Free Base

>  <CAS> (182)
925705-73-3

>  <URL> (182)
http://www.selleckchem.com/products/tg-100713.html

$$$$
KY02111.cdx
csChFnd80/01292311242D

 25 27  0  0  0  0  0  0  0  0999 V2000
   11.7779    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2028    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2028    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7779    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1406    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1406    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4152    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
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  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  1  9  1  0  0  0  0
 12 13  1  0  0  0  0
  4 12  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 19 21  2  0  0  0  0
 23 25  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <Mol_ID> (183)
1988

>  <Formula> (183)
C18H17ClN2O3S

>  <MolWeight> (183)
376.85718

>  <Cat> (183)
S7096

>  <Name> (183)
KY02111

>  <Synonyms> (183)
N/A

>  <Target> (183)
Wnt/beta-catenin

>  <Form> (183)
Free Base

>  <CAS> (183)
1118807-13-8

>  <URL> (183)
https://www.selleckchem.com/products/ky02111.html

$$$$
IPA-3.cdx
csChFnd80/01292311242D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  3 12  2  0  0  0  0
  7 12  1  0  0  0  0
  4 13  1  0  0  0  0
  1  3  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 14 23  2  0  0  0  0
 18 23  1  0  0  0  0
 15 24  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (184)
1989

>  <Formula> (184)
C20H14O2S2

>  <MolWeight> (184)
350.45396

>  <Cat> (184)
S7093

>  <Name> (184)
IPA-3

>  <Synonyms> (184)
N/A

>  <Target> (184)
PAK

>  <Form> (184)
Free Base

>  <CAS> (184)
42521-82-4

>  <URL> (184)
https://www.selleckchem.com/products/ipa-3.html

$$$$
P505-15.cdx
csChFnd80/01292311242D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.4471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    9.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2471    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.5495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  2 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  1  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  1  0  0  0
M  END
>  <Mol_ID> (185)
1994

>  <Formula> (185)
C19H24ClN9O

>  <MolWeight> (185)
429.90656

>  <Cat> (185)
S8032

>  <Name> (185)
PRT062607 (P505-15, PRT2607, BIIB057) HCl

>  <Synonyms> (185)
N/A

>  <Target> (185)
Syk

>  <Form> (185)
Hydrochloride

>  <CAS> (185)
1370261-97-4,1370261-96-3(free base)

>  <URL> (185)
https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

$$$$
XL888.cdx
csChFnd80/01292311242D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (186)
1999

>  <Formula> (186)
C29H37N5O3

>  <MolWeight> (186)
503.63578

>  <Cat> (186)
S7122

>  <Name> (186)
XL888

>  <Synonyms> (186)
N/A

>  <Target> (186)
HSP (e.g. HSP90)

>  <Form> (186)
Free Base

>  <CAS> (186)
1149705-71-4

>  <URL> (186)
https://www.selleckchem.com/products/xl888.html

$$$$
CGK 733.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (187)
2002

>  <Formula> (187)
C23H18Cl3FN4O3S

>  <MolWeight> (187)
555.8364232

>  <Cat> (187)
S7136

>  <Name> (187)
CGK 733

>  <Synonyms> (187)
N/A

>  <Target> (187)
ATM/ATR

>  <Form> (187)
Free Base

>  <CAS> (187)
905973-89-9

>  <URL> (187)
http://www.selleckchem.com/products/cgk-733.html

$$$$
NU6027.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (188)
2008

>  <Formula> (188)
C11H17N5O2

>  <MolWeight> (188)
251.28498

>  <Cat> (188)
S7114

>  <Name> (188)
NU6027

>  <Synonyms> (188)
N/A

>  <Target> (188)
CDK

>  <Form> (188)
Free Base

>  <CAS> (188)
220036-08-8

>  <URL> (188)
http://www.selleckchem.com/products/nu6027.html

$$$$
GZD824.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (189)
2018

>  <Formula> (189)
C31H35F3N6O7S2

>  <MolWeight> (189)
724.7708096

>  <Cat> (189)
S7194

>  <Name> (189)
GZD824 Dimesylate 

>  <Synonyms> (189)
N/A

>  <Target> (189)
Bcr-Abl

>  <Form> (189)
Mesylate

>  <CAS> (189)
1421783-64-3

>  <URL> (189)
http://www.selleckchem.com/products/gzd824.html

$$$$
RKI-1447.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (190)
2020

>  <Formula> (190)
C16H14N4O2S

>  <MolWeight> (190)
326.37296

>  <Cat> (190)
S7195

>  <Name> (190)
RKI-1447

>  <Synonyms> (190)
N/A

>  <Target> (190)
ROCK

>  <Form> (190)
Free Base

>  <CAS> (190)
1342278-01-6

>  <URL> (190)
http://www.selleckchem.com/products/rki-1447.html

$$$$
4'-Demethylepipodophyllotoxin.cdx
csChFnd80/01292311242D

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  9 14  1  6  0  0  0
  7 15  1  6  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
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 11 26  2  0  0  0  0
  1 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  2  1  0  0  0  0
 10 30  1  1  0  0  0
  8 31  1  1  0  0  0
M  END
>  <Mol_ID> (191)
2035

>  <Formula> (191)
C21H20O8

>  <MolWeight> (191)
400.3787

>  <Cat> (191)
S2254

>  <Name> (191)
4'-Demethylepipodophyllotoxin

>  <Synonyms> (191)
DMEP

>  <Target> (191)
Microtubule Associated

>  <Form> (191)
free base

>  <CAS> (191)
6559-91-7

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

$$$$
S5006 Teprenone.cdx
csChFnd80/01292311242D

 24 23  0  0  0  0  0  0  0  0999 V2000
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    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
   14.5492    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
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    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
   19.3990    0.0000    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
   20.6114    0.7000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (192)
2166

>  <Formula> (192)
C23H38O

>  <MolWeight> (192)
330.54722

>  <Cat> (192)
S5006

>  <Name> (192)
Teprenone

>  <Synonyms> (192)
geranylgeranylacetone, Tetraprenylacetone

>  <Target> (192)
Others

>  <CAS> (192)
6809-52-5

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

$$$$
S4953 Usnic acid.cdx
csChFnd80/01292311242D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0222    2.1098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    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
    7.2721    1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6633    0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6216    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218    4.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4264    2.1163    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2721    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    0.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2181    3.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6402    6.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6  8  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 15  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 17  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  2  0  0  0  0
M  END
>  <Mol_ID> (193)
2183

>  <Formula> (193)
C18H16O7

>  <MolWeight> (193)
344.31544

>  <Cat> (193)
S4953

>  <Name> (193)
Usnic acid

>  <Synonyms> (193)
Usniacin

>  <Target> (193)
Others

>  <Form> (193)
free base

>  <CAS> (193)
125-46-2

>  <URL> (193)
http://selleckchem.com/products/usnic-acid.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/01292311242D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.8389    5.3842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1564    4.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1771    3.9947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3358    3.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0022    2.4833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2089    1.7079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3626    2.7803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9317    4.1661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5939    5.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0264    6.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310    1.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1767    5.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388    6.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0678    0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1773    5.2227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9461    6.8317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0420    2.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8852    1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5843    1.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9298    0.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0746    7.5643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9029    9.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074    0.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1909    4.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1933    1.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6965    3.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8857    3.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254    4.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0636    5.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
 13  1  1  0  0  0  0
  1 16  1  1  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 42  1  6  0  0  0
  3  9  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  3 43  1  6  0  0  0
 29  4  1  0  0  0  0
 30  4  1  0  0  0  0
  5  4  1  0  0  0  0
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 20  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  6  0  0  0
 14  6  1  0  0  0  0
 21  6  1  0  0  0  0
  7 18  1  1  0  0  0
  8 17  1  1  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
 12 10  1  0  0  0  0
 24 10  2  0  0  0  0
 11 14  1  0  0  0  0
 31 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 33  1  1  0  0  0
 22 16  1  0  0  0  0
 19 17  1  0  0  0  0
 23 18  1  0  0  0  0
 25 19  2  0  0  0  0
 28 19  1  0  0  0  0
 20 21  1  0  0  0  0
 26 22  2  0  0  0  0
 35 22  1  0  0  0  0
 27 23  2  0  0  0  0
 34 23  1  0  0  0  0
 32 28  1  0  0  0  0
 36 32  2  0  0  0  0
 37 32  1  0  0  0  0
 39 36  1  0  0  0  0
 38 37  2  0  0  0  0
 40 38  1  0  0  0  0
 40 39  2  0  0  0  0
M  END
>  <Mol_ID> (194)
2186

>  <Formula> (194)
C32H40O8

>  <MolWeight> (194)
552.6552

>  <Cat> (194)
S3832

>  <Name> (194)
Euphorbiasteroid

>  <Synonyms> (194)
Euphorbia factor L1

>  <Target> (194)
Others

>  <Form> (194)
free base

>  <CAS> (194)
28649-59-4

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

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/01292311242D

 68 74  0  0  0  0  0  0  0  0999 V2000
    6.9238    8.9622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0285    9.6191    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6762    9.6479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9525    7.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8666   10.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0475   11.0288    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3238    9.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (195)
2241

>  <Formula> (195)
C47H80O18

>  <MolWeight> (195)
933.1273

>  <Cat> (195)
S3785

>  <Name> (195)
Notoginsenoside R1

>  <Synonyms> (195)
Sanchinoside R1

>  <Target> (195)
Others

>  <Form> (195)
free base

>  <CAS> (195)
80418-24-2

>  <URL> (195)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
S3970 Vindoline.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (196)
2245

>  <Formula> (196)
C25H32N2O6

>  <MolWeight> (196)
456.53138

>  <Cat> (196)
S3970

>  <Name> (196)
Vindoline

>  <Synonyms> (196)
N/A

>  <Target> (196)
Microtubule Associated

>  <Form> (196)
free base

>  <CAS> (196)
2182-14-1

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

$$$$
Methyl-Hesperidin.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (197)
2254

>  <Formula> (197)
C29H36O15

>  <MolWeight> (197)
624.58714

>  <Cat> (197)
S2323

>  <Name> (197)
Methyl-Hesperidin

>  <Form> (197)
free base

>  <CAS> (197)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (198)
2255

>  <Formula> (198)
C19H19ClN6O4S3

>  <MolWeight> (198)
527.03996

>  <Cat> (198)
S1154

>  <Name> (198)
SNS-314 Mesylate

>  <Synonyms> (198)
N/A

>  <Target> (198)
Aurora Kinase

>  <Form> (198)
Mesylate

>  <CAS> (198)
1146618-41-8

>  <URL> (198)
http://www.selleckchem.com/products/SNS-314.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (199)
2259

>  <Formula> (199)
C21H18O12

>  <MolWeight> (199)
462.36042

>  <Cat> (199)
S3810

>  <Name> (199)
Scutellarin

>  <Synonyms> (199)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (199)
Others

>  <Form> (199)
free base

>  <CAS> (199)
27740-01-8

>  <URL> (199)
http://www.selleckchem.com/products/scutellarin.html

$$$$
untitled.cdx
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>  <Mol_ID> (200)
2267

>  <Formula> (200)
C21H46NO4P

>  <MolWeight> (200)
407.568001

>  <Cat> (200)
S3056

>  <Name> (200)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (200)
N/A

>  <Target> (200)
Akt

>  <Form> (200)
Free Base

>  <CAS> (200)
58066-85-6

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

$$$$
NU7026.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (201)
2272

>  <Formula> (201)
C17H15NO3

>  <MolWeight> (201)
281.3059

>  <Cat> (201)
S2893

>  <Name> (201)
NU7026

>  <Synonyms> (201)
N/A

>  <Target> (201)
DNA-PK

>  <Form> (201)
Free Base

>  <CAS> (201)
154447-35-5

>  <URL> (201)
http://www.selleckchem.com/products/nu7026.html

$$$$
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>  <Mol_ID> (202)
2288

>  <Formula> (202)
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Free Base

>  <CAS> (202)
1232410-49-9

>  <URL> (202)
http://www.selleckchem.com/products/ve-821.html

$$$$
RGD peptide.cdx
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RGD (Arg-Gly-Asp) Peptides

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Arginine-Glycine-Aspartic Acid

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Integrase

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Free Base

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99896-85-2

>  <URL> (203)
http://www.selleckchem.com/products/rgd-arg-gly-asp-peptides.html

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GSK2636771

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PI3K

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Free Base

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1372540-25-4

>  <URL> (204)
http://www.selleckchem.com/products/gsk2636771.html

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AZD5363

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Akt

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1143532-39-1

>  <URL> (205)
http://www.selleckchem.com/products/azd5363.html

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1201438-56-3

>  <URL> (206)
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IWR-1-endo

>  <Synonyms> (207)
IWR-1

>  <Target> (207)
Wnt/beta-catenin

>  <Form> (207)
Free Base

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1127442-82-3

>  <URL> (207)
http://www.selleckchem.com/products/iwr-1-endo.html

$$$$
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2339

>  <Formula> (208)
C18H16N2O2

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292.33184

>  <Cat> (208)
S7099

>  <Name> (208)
(-)-Blebbistatin

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N/A

>  <Target> (208)
ATPase

>  <Form> (208)
Free Base

>  <CAS> (208)
856925-71-8

>  <URL> (208)
https://www.selleckchem.com/products/blebbistatin.html

$$$$
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>  <Mol_ID> (209)
2340

>  <Formula> (209)
C24H32N6O3

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S8040

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GDC-0349

>  <Synonyms> (209)
RG7603

>  <Target> (209)
mTOR

>  <Form> (209)
Free Base

>  <CAS> (209)
1207360-89-1

>  <URL> (209)
https://www.selleckchem.com/products/gdc-0349.html

$$$$
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2346

>  <Formula> (210)
C21H16N6O2S2

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>  <Name> (210)
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SAR245408

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PI3K 

>  <Form> (210)
Free Base

>  <CAS> (210)
956958-53-5

>  <URL> (210)
http://www.selleckchem.com/products/XL147.html

$$$$
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Akt

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157716-52-4

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

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PI3K, mTOR

>  <Form> (212)
Free Base

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958852-01-2

>  <URL> (212)
http://www.selleckchem.com/products/GSK1059615.html

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C23H25ClN8OS

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CCT129202

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N/A

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Aurora Kinase

>  <Form> (213)
Free Base

>  <CAS> (213)
942947-93-5

>  <URL> (213)
http://www.selleckchem.com/products/CCT129202.html

$$$$
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>  <Form> (214)
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>  <CAS> (214)
503468-95-9 

>  <URL> (214)
http://www.selleckchem.com/products/nu7441.html

$$$$
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   13.3242    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    2.0927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5703    6.2927    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1703    6.2927    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  4 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
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 26  1  0  0  0  0
 30 31  2  0  0  0  0
 28 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (215)
2432

>  <Formula> (215)
C23H14Na2O11

>  <MolWeight> (215)
512.3302

>  <Cat> (215)
S1911

>  <Name> (215)
Disodium Cromoglycate

>  <Synonyms> (215)
Gynazole

>  <Target> (215)
Calcium Channel

>  <Form> (215)
Disodium Salt

>  <CAS> (215)
15826-37-6

>  <URL> (215)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

$$$$
Flubendazole.cdx
csChFnd80/01292311242D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    6.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9322    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5573    2.5628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9496    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5190    3.6954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6472    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0423    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7399    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7399    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1350    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  1  5  2  0  0  0  0
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  6  7  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  4  1  0  0  0  0
  7 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (216)
2435

>  <Formula> (216)
C16H12FN3O3

>  <MolWeight> (216)
313.2831832

>  <Cat> (216)
S1837

>  <Name> (216)
Flubendazole (Flutelmium)

>  <Synonyms> (216)
N/A 

>  <Target> (216)
Others

>  <Form> (216)
Free Base

>  <CAS> (216)
31430-15-6

>  <URL> (216)
http://www.selleckchem.com/products/flubendazole-flutelmium.html

$$$$
CCT137690.cdx
csChFnd80/01292311242D

 36 41  0  0  0  0  0  0  0  0999 V2000
    2.2115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9679    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7908    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9679    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0033    2.7976    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.1859    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2859    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2859    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3811    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0811    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4811    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1811    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4811    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0811    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5762    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694   10.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   10.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    8.5184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1325   12.0458    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
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  8 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 11 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 11  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 15 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 31  2  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (217)
2442

>  <Formula> (217)
C26H31BrN8O

>  <MolWeight> (217)
551.48134

>  <Cat> (217)
S2744

>  <Name> (217)
CCT137690

>  <Synonyms> (217)
N/A

>  <Target> (217)
Aurora Kinase

>  <Form> (217)
Free Base

>  <CAS> (217)
1095382-05-0

>  <URL> (217)
http://www.selleckchem.com/products/cct137690.html

$$$$
Wnt-C59 (C59).cdx
csChFnd80/01292311242D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1571    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9446    4.8976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    4.1976    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
  2  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
>  <Mol_ID> (218)
2445

>  <Formula> (218)
C25H21N3O

>  <MolWeight> (218)
379.45374

>  <Cat> (218)
S7037

>  <Name> (218)
Wnt-C59 (C59)

>  <Synonyms> (218)
N/A

>  <Target> (218)
Wnt/beta-catenin

>  <Form> (218)
Free Base

>  <CAS> (218)
1243243-89-1

>  <URL> (218)
http://www.selleckchem.com/products/wnt-c59-c59.html

$$$$
Nefopam HCl.cdx
csChFnd80/01292311242D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    1.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8148    1.2889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8048    2.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8048    3.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8148    4.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    4.6688    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2124    4.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8809    5.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8094    8.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9571    7.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    6.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2246    3.6497    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (219)
2448

>  <Formula> (219)
C17H20ClNO

>  <MolWeight> (219)
289.7998

>  <Cat> (219)
S4180

>  <Name> (219)
Nefopam HCl

>  <Synonyms> (219)
N/A

>  <Target> (219)
Others

>  <Form> (219)
Hydrochloride

>  <CAS> (219)
23327-57-3

>  <URL> (219)
http://www.selleckchem.com/products/nefopam-hcl.html

$$$$
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ditrifluoroacetic acid

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250612-42-1

>  <URL> (220)
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1256493-34-1

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>  <Mol_ID> (223)
2496

>  <Formula> (223)
C24H28N8O2

>  <MolWeight> (223)
460.53152

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S7103

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GDC-0032

>  <Synonyms> (223)
RG7604

>  <Target> (223)
PI3K

>  <Form> (223)
Free Base

>  <CAS> (223)
1282512-48-4

>  <URL> (223)
http://www.selleckchem.com/products/gdc-0032.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/01292311242D

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>  <Mol_ID> (224)
2499

>  <Formula> (224)
C11H10N2O2S

>  <MolWeight> (224)
234.2743

>  <Cat> (224)
S7914

>  <Name> (224)
Isoxazole 9 (ISX-9)

>  <Synonyms> (224)
N/A

>  <Target> (224)
Others

>  <Form> (224)
Free Base

>  <CAS> (224)
832115-62-5

>  <URL> (224)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
MMAE.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (225)
2501

>  <Formula> (225)
C39H67N5O7

>  <MolWeight> (225)
717.97858

>  <Cat> (225)
S7721

>  <Name> (225)
Monomethyl auristatin E (MMAE)

>  <Synonyms> (225)
N/A

>  <Target> (225)
Microtubule Associated

>  <Form> (225)
Free Base

>  <CAS> (225)
474645-27-7

>  <URL> (225)
http://www.selleckchem.com/products/monomethyl-auristatin-e-mmae.html

$$$$
AZD6738.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (226)
2511

>  <Formula> (226)
C20H24N6O2S

>  <MolWeight> (226)
412.50856

>  <Cat> (226)
S7693

>  <Name> (226)
AZD6738

>  <Synonyms> (226)
N/A

>  <Target> (226)
ATM/ATR

>  <Form> (226)
Free Base

>  <CAS> (226)
1352226-88-0

>  <URL> (226)
http://www.selleckchem.com/products/azd6738.html

$$$$
ONC201.cdx
csChFnd80/01292311242D

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2549

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C6H13NO2

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S3753

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L-Leucine

>  <Synonyms> (231)
(S)-Leucine, Leu

>  <Target> (231)
Others

>  <Form> (231)
free base

>  <CAS> (231)
61-90-5

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

$$$$
SKI II (SphK-I2).cdx
csChFnd80/01292311242D

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2578

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C15H11ClN2OS

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302.77864

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S7176

>  <Name> (232)
SKI II

>  <Synonyms> (232)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (232)
S1P Receptor

>  <Form> (232)
Free Base

>  <CAS> (232)
312636-16-1

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

$$$$
GSK2334470.cdx
csChFnd80/01292311242D

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2584

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C25H34N8O

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462.59046

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S7087

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GSK2334470

>  <Synonyms> (233)
N/A

>  <Target> (233)
PDK-1

>  <Form> (233)
Free Base

>  <CAS> (233)
1227911-45-6

>  <URL> (233)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (234)
2586

>  <Formula> (234)
C24H26N4O

>  <MolWeight> (234)
386.48944

>  <Cat> (234)
S7127

>  <Name> (234)
TIC10 analogue

>  <Synonyms> (234)
TRAIL-inducing Compound 10

>  <Target> (234)
Akt

>  <Form> (234)
Free Base

>  <CAS> (234)
41276-02-2

>  <URL> (234)
http://www.selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/01292311242D

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>  <Mol_ID> (235)
2588

>  <Formula> (235)
C16H10BrN3O2

>  <MolWeight> (235)
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>  <Cat> (235)
S7198

>  <Name> (235)
BIO

>  <Synonyms> (235)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (235)
GSK-3

>  <Form> (235)
Free Base

>  <CAS> (235)
667463-62-9

>  <URL> (235)
http://www.selleckchem.com/products/bio.html

$$$$

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M  END
>  <Mol_ID> (236)
2589

>  <Formula> (236)
C18H19Na2O8P

>  <MolWeight> (236)
440.291961

>  <Cat> (236)
S7204

>  <Name> (236)
Fosbretabulin (Combretastatin A4 Phosphate, 

>  <Synonyms> (236)
N/A

>  <Target> (236)
Microtubule Associated

>  <Form> (236)
Disodium salt

>  <CAS> (236)
168555-66-6

>  <URL> (236)
http://www.selleckchem.com/products/fosbretabulin-disodium-combretastatin-a-4-phosphate-dis

$$$$
AZD2858.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (237)
2595

>  <Formula> (237)
C21H23N7O3S

>  <MolWeight> (237)
453.51742

>  <Cat> (237)
S7253

>  <Name> (237)
AZD2858

>  <Synonyms> (237)
N/A

>  <Target> (237)
GSK-3

>  <Form> (237)
Free Base

>  <CAS> (237)
486424-20-8

>  <URL> (237)
http://www.selleckchem.com/products/azd2858.html

$$$$
dynasore .cdx
csChFnd80/01292311242D

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>  <Mol_ID> (238)
2598

>  <Formula> (238)
C18H14N2O4

>  <MolWeight> (238)
322.31476

>  <Cat> (238)
S8047

>  <Name> (238)
Dynasore

>  <Synonyms> (238)
N/A

>  <Target> (238)
Dynamin

>  <Form> (238)
Free Base

>  <CAS> (238)
304448-55-3

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

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (239)
2603

>  <Formula> (239)
C26H27N5O5S2

>  <MolWeight> (239)
553.65308

>  <Cat> (239)
S7207

>  <Name> (239)
Ro 31-8220 Mesylate

>  <Synonyms> (239)
Bisindolylmaleimide IX Mesylate

>  <Target> (239)
PKC

>  <Form> (239)
Mesylate

>  <CAS> (239)
138489-18-6

>  <URL> (239)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
CZC24832.cdx
csChFnd80/01292311242D

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2606

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C15H17FN6O2S

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CZC24832

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N/A

>  <Target> (240)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (240)
Free Base

>  <CAS> (240)
1159824-67-5

>  <URL> (240)
http://www.selleckchem.com/products/czc24832.html

$$$$
XL388.cdx
csChFnd80/01292311242D

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2611

>  <Formula> (241)
C23H22FN3O4S

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455.5018832

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S7035

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XL388

>  <Synonyms> (241)
N/A

>  <Target> (241)
mTOR

>  <Form> (241)
Free Base

>  <CAS> (241)
1251156-08-7

>  <URL> (241)
http://www.selleckchem.com/products/xl388.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/01292311242D

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>  <Mol_ID> (242)
2613

>  <Formula> (242)
C24H27Cl2N5O

>  <MolWeight> (242)
472.41008

>  <Cat> (242)
S7306

>  <Name> (242)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (242)
BML-275,Compound C

>  <Target> (242)
AMPK

>  <Form> (242)
Dihydrochloride

>  <CAS> (242)
1219168-18-9

>  <URL> (242)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
Carbenoxolone disodiuM.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (243)
2630

>  <Formula> (243)
C34H48Na2O7

>  <MolWeight> (243)
614.72026

>  <Cat> (243)
S4368

>  <Name> (243)
Carbenoxolone disodiuM

>  <Synonyms> (243)
N/A

>  <Target> (243)
Others

>  <Form> (243)
disodiuM

>  <CAS> (243)
7421-40-1

>  <URL> (243)
http://www.selleckchem.com/products/carbenoxolone-sodium.html

$$$$
Mdivi-1.cdx
csChFnd80/01292311242D

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Mdivi-1

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Dynamin

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Free Base

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338967-87-6

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http://www.selleckchem.com/products/mdivi-1.html

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PF-562271.cdx
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C21H21ClF3N7O3S

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PF-562271 HCl

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N/A

>  <Target> (245)
FAK

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Hydrochloride

>  <URL> (245)
http://www.selleckchem.com/products/pf-562271-hcl.html

$$$$
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C25H29ClN6O3

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AMPK

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1214265-58-3

>  <URL> (246)
http://www.selleckchem.com/products/wz4003.html

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1243244-14-5

>  <URL> (247)
http://www.selleckchem.com/products/lgk-974.html

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ATM/ATR

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1233339-22-4

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http://www.selleckchem.com/products/az20.html

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Wnt/beta-catenin

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Free Base

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1427782-89-5

>  <URL> (249)
http://www.selleckchem.com/products/iwp-l6.html

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GSK-3¦Â Inhibitor VIII

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GSK-3

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Free Base

>  <CAS> (250)
487021-52-3

>  <URL> (250)
http://www.selleckchem.com/products/ar-a014418.html

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>  <URL> (251)
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M  END
>  <Mol_ID> (270)
2808

>  <Formula> (270)
C13H10Cl2N2O4S

>  <MolWeight> (270)
361.2005

>  <Cat> (270)
S7484

>  <Name> (270)
FH535

>  <Synonyms> (270)
N/A

>  <Target> (270)
Wnt/beta-catenin

>  <Form> (270)
Free Base

>  <CAS> (270)
108409-83-2

>  <URL> (270)
http://www.selleckchem.com/products/fh535.html

$$$$
PD173955 .cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (271)
2820

>  <Formula> (271)
C21H18Cl2N4OS

>  <MolWeight> (271)
445.36482

>  <Cat> (271)
S7269

>  <Name> (271)
PD173955

>  <Synonyms> (271)
N/A 

>  <Target> (271)
Bcr-Abl

>  <Form> (271)
Free Base

>  <CAS> (271)
260415-63-2

>  <URL> (271)
http://www.selleckchem.com/products/pd173955.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/01292311242D

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 10  2  1  0  0  0  0
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 14  6  1  0  0  0  0
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M  END
>  <Mol_ID> (272)
2833

>  <Formula> (272)
C19H17NO3

>  <MolWeight> (272)
307.34318

>  <Cat> (272)
S7310

>  <Name> (272)
SF1670 (PTEN inhibitor)

>  <Synonyms> (272)
N/A

>  <Target> (272)
PTEN

>  <Form> (272)
Free Base

>  <CAS> (272)
345630-40-2

>  <URL> (272)
http://www.selleckchem.com/products/sf1670.html

$$$$
IM-12.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (273)
2834

>  <Formula> (273)
C22H20FN3O2

>  <MolWeight> (273)
377.4115032

>  <Cat> (273)
S7566

>  <Name> (273)
IM-12

>  <Synonyms> (273)
N/A

>  <Target> (273)
GSK-3

>  <Form> (273)
Free Base

>  <CAS> (273)
1129669-05-1

>  <URL> (273)
http://www.selleckchem.com/products/im-12.html

$$$$
NVP-HSP990(HSP990) .cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (274)
2838

>  <Formula> (274)
C20H18FN5O2

>  <MolWeight> (274)
379.3876232

>  <Cat> (274)
S7097

>  <Name> (274)
HSP990 (NVP-HSP990)

>  <Synonyms> (274)
N/A

>  <Target> (274)
HSP (e.g. HSP90)

>  <Form> (274)
Free Base

>  <CAS> (274)
934343-74-5

>  <URL> (274)
http://www.selleckchem.com/products/hsp990-nvp-hsp990.html

$$$$
ARQ 621.cdx
csChFnd80/01292311242D

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1073154-85-4

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Microtubule Associated

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1334921-03-7

>  <URL> (284)
http://www.selleckchem.com/products/tai-1.html

$$$$
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Free Base

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955977-50-1

>  <URL> (285)
http://www.selleckchem.com/products/pi-3065.html

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M  END
>  <Mol_ID> (290)
2967

>  <Formula> (290)
C22H28ClN7O3S

>  <MolWeight> (290)
506.02082

>  <Cat> (290)
S7782

>  <Name> (290)
Dasatinib Monohydrate

>  <Synonyms> (290)
BMS-354825 Monohydrate

>  <Target> (290)
Src

>  <Form> (290)
Monohydrate

>  <CAS> (290)
863127-77-9

>  <URL> (290)
http://www.selleckchem.com/products/dasatinib-monohydrate.html

$$$$
FRAX597.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (291)
2978

>  <Formula> (291)
C29H28ClN7OS

>  <MolWeight> (291)
558.09692

>  <Cat> (291)
S7271

>  <Name> (291)
FRAX597

>  <Synonyms> (291)
N/A

>  <Target> (291)
PAK

>  <Form> (291)
Free Base

>  <CAS> (291)
1286739-19-2

>  <URL> (291)
http://www.selleckchem.com/products/frax597.html

$$$$
Combretastatin A4.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (292)
2979

>  <Formula> (292)
C18H20O5

>  <MolWeight> (292)
316.3484

>  <Cat> (292)
S7783

>  <Name> (292)
Combretastatin A4

>  <Synonyms> (292)
N/A

>  <Target> (292)
Microtubule Associated

>  <Form> (292)
Free Base

>  <CAS> (292)
117048-59-6

>  <URL> (292)
http://www.selleckchem.com/products/combretastatin-a4.html

$$$$
Afuresertib £¨GSK2110183).cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (293)
2987

>  <Formula> (293)
C18H17Cl2FN4OS

>  <MolWeight> (293)
427.3231832

>  <Cat> (293)
S7521

>  <Name> (293)
Afuresertib (GSK2110183)

>  <Synonyms> (293)
N/A

>  <Target> (293)
Akt

>  <Form> (293)
Free Base

>  <CAS> (293)
1047644-62-1

>  <URL> (293)
http://www.selleckchem.com/products/afuresertib-gsk2110183.html

$$$$
GNE-317.cdx
csChFnd80/01292311242D

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PI3K

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Free Base

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934526-89-3

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http://www.selleckchem.com/products/pilaralisib-xl147.html

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Cilengitide trifluoroacetate

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EMD 121974, NSC 707544

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Integrin

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Trifluoroacetat

>  <CAS> (302)
188968-51-6

>  <URL> (302)
http://www.selleckchem.com/products/cilengitide-emd-121974-nsc-707544.html

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GSK621.cdx
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GSK621

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AMPK

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Free Base

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1346607-05-3

>  <URL> (303)
http://www.selleckchem.com/products/gsk621.html

$$$$
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csChFnd80/01292311242D

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PI3K

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934493-76-2

>  <URL> (304)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

$$$$
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csChFnd80/01292311242D

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926037-48-1

>  <URL> (305)
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$$$$
GNF-7.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (306)
3074

>  <Formula> (306)
C28H24F3N7O2

>  <MolWeight> (306)
547.5310696

>  <Cat> (306)
S8140

>  <Name> (306)
GNF-7

>  <Synonyms> (306)
N/A

>  <Target> (306)
Bcr-Abl

>  <Form> (306)
Free Base

>  <CAS> (306)
839706-07-9

>  <URL> (306)
http://www.selleckchem.com/products/gnf-7.html

$$$$
Cucurbitacin B.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (307)
3076

>  <Formula> (307)
C32H46O8

>  <MolWeight> (307)
558.70284

>  <Cat> (307)
S8165

>  <Name> (307)
Cucurbitacin B

>  <Synonyms> (307)
N/A

>  <Target> (307)
Microtubule Associated

>  <Form> (307)
Free Base

>  <CAS> (307)
6199-67-3

>  <URL> (307)
http://www.selleckchem.com/products/cucurbitacin-b.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/01292311242D

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>  <Mol_ID> (308)
3080

>  <Formula> (308)
C26H24N6O2

>  <MolWeight> (308)
452.50776

>  <Cat> (308)
S7936

>  <Name> (308)
KD025 (SLx-2119)

>  <Synonyms> (308)
N/A

>  <Target> (308)
ROCK

>  <Form> (308)
Free Base

>  <CAS> (308)
911417-87-3

>  <URL> (308)
http://www.selleckchem.com/products/kd025-(slx-2119).html

$$$$
CC-223.cdx
csChFnd80/01292311242D

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mTOR

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Free Base

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1228013-30-6

>  <URL> (309)
http://www.selleckchem.com/products/cc-223.html

$$$$
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Uprosertib (GSK2141795)

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GSK795

>  <Target> (310)
Akt

>  <Form> (310)
Free Base

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1047634-65-0

>  <URL> (310)
http://www.selleckchem.com/products/gsk2141795.html

$$$$
Wnt agonist 1 HCl.cdx
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>  <Mol_ID> (311)
3098

>  <Formula> (311)
C19H19ClN4O3

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>  <Cat> (311)
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>  <Name> (311)
Wnt agonist 1

>  <Synonyms> (311)
N/A

>  <Target> (311)
Wnt/beta-catenin

>  <Form> (311)
Hydrochloride

>  <CAS> (311)
853220-52-7(free-base)

>  <URL> (311)
http://www.selleckchem.com/products/wnt-agonist-1.html

$$$$
VPS34-IN1.cdx
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VPS34-IN1

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PI3K

>  <Form> (312)
Free Base

>  <CAS> (312)
1383716-33-3

>  <URL> (312)
http://www.selleckchem.com/products/vps34-in1.html

$$$$
Kenpaullone.cdx
csChFnd80/01292311242D

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>  <Name> (313)
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CDK

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142273-20-9

>  <URL> (313)
http://www.selleckchem.com/products/kenpaullone.html

$$$$
PIK-III.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (314)
3121

>  <Formula> (314)
C17H17N7

>  <MolWeight> (314)
319.36378

>  <Cat> (314)
S7683

>  <Name> (314)
PIK-III

>  <Synonyms> (314)
VPS34-IN2

>  <Target> (314)
Autophagy

>  <Form> (314)
Free Base

>  <CAS> (314)
1383716-40-2

>  <URL> (314)
http://www.selleckchem.com/products/pik-iii.html

$$$$
ETC-1002.cdx
csChFnd80/01292311242D

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3131

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C19H36O5

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344.48614

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S7953

>  <Name> (315)
ETC-1002

>  <Synonyms> (315)
Bempedoic acid|ESP-55016

>  <Target> (315)
AMPK

>  <Form> (315)
Free Base

>  <CAS> (315)
738606-46-7

>  <URL> (315)
http://www.selleckchem.com/products/etc-1002.html

$$$$
IQ-1.cdx
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>  <Mol_ID> (316)
3181

>  <Formula> (316)
C21H22N4O2

>  <MolWeight> (316)
362.42498

>  <Cat> (316)
S8248

>  <Name> (316)
IQ-1

>  <Synonyms> (316)
N/A

>  <Target> (316)
Wnt/beta-catenin

>  <Form> (316)
Free Base

>  <CAS> (316)
331001-62-8

>  <URL> (316)
http://www.selleckchem.com/products/iq-1.html

$$$$
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>  <Mol_ID> (317)
3188

>  <Formula> (317)
C18H27N3O6S3

>  <MolWeight> (317)
477.61848

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S7762

>  <Name> (317)
TRx0237 (LMTX) mesylate

>  <Synonyms> (317)
N/A

>  <Target> (317)
Microtubule Associated

>  <Form> (317)
Dimesylate

>  <CAS> (317)
1236208-20-0

>  <URL> (317)
http://www.selleckchem.com/products/trx0237-lmtx.html

$$$$
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M  END
>  <Mol_ID> (322)
3217

>  <Formula> (322)
C12H15N2O11V

>  <MolWeight> (322)
414.1958

>  <Cat> (322)
S8174

>  <Name> (322)
VO-Ohpic trihydrate

>  <Synonyms> (322)
N/A

>  <Target> (322)
Others

>  <Form> (322)
trihydrate

>  <CAS> (322)
476310-60-8

>  <URL> (322)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
KYA1797K.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (323)
3226

>  <Formula> (323)
C17H11KN2O6S2

>  <MolWeight> (323)
442.50734

>  <Cat> (323)
S8327

>  <Name> (323)
KYA1797K

>  <Synonyms> (323)
N/A

>  <Target> (323)
Wnt/beta-catenin

>  <Form> (323)
potassium salt

>  <CAS> (323)
1956356-56-1

>  <URL> (323)
http://www.selleckchem.com/products/kya1797k.html

$$$$
AZD8835.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (324)
3227

>  <Formula> (324)
C22H31N9O3

>  <MolWeight> (324)
469.54004

>  <Cat> (324)
S7966

>  <Name> (324)
AZD8835

>  <Synonyms> (324)
N/A

>  <Target> (324)
PI3K

>  <Form> (324)
Free Base

>  <CAS> (324)
1620576-64-8

>  <URL> (324)
http://www.selleckchem.com/products/azd8835.html

$$$$
Deguelin.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (325)
3241

>  <Formula> (325)
C23H22O6

>  <MolWeight> (325)
394.41718

>  <Cat> (325)
S8132

>  <Name> (325)
Deguelin

>  <Synonyms> (325)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (325)
Akt

>  <Form> (325)
Free Base

>  <CAS> (325)
522-17-8

>  <URL> (325)
http://www.selleckchem.com/products/deguelin.html

$$$$
Leukadherin-1.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (326)
3250

>  <Formula> (326)
C22H15NO4S2

>  <MolWeight> (326)
421.4888

>  <Cat> (326)
S8306

>  <Name> (326)
Leukadherin-1

>  <Synonyms> (326)
N/A

>  <Target> (326)
Integrin

>  <Form> (326)
Free Base

>  <CAS> (326)
344897-95-6

>  <URL> (326)
http://www.selleckchem.com/products/leukadherin-1.html

$$$$
SKL2001.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (327)
3256

>  <Formula> (327)
C14H14N4O3

>  <MolWeight> (327)
286.28596

>  <Cat> (327)
S8320

>  <Name> (327)
SKL2001

>  <Synonyms> (327)
N/A

>  <Target> (327)
Wnt/beta-catenin

>  <Form> (327)
Free Base

>  <CAS> (327)
909089-13-0

>  <URL> (327)
http://www.selleckchem.com/products/skl2001.html

$$$$
GSK269962.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (328)
3266

>  <Formula> (328)
C29H31ClN8O5

>  <MolWeight> (328)
607.06004

>  <Cat> (328)
S7687

>  <Name> (328)
GSK269962 HCl

>  <Synonyms> (328)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (328)
ROCK

>  <Form> (328)
hydrochloride

>  <CAS> (328)
850664-21-0(free base)

>  <URL> (328)
http://www.selleckchem.com/products/gsk269962.html

$$$$
ML-7.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (329)
3282

>  <Formula> (329)
C15H18ClIN2O2S

>  <MolWeight> (329)
452.73809

>  <Cat> (329)
S8388

>  <Name> (329)
ML-7 HCl

>  <Synonyms> (329)
N/A

>  <Target> (329)
Others

>  <Form> (329)
hydrochloride

>  <CAS> (329)
110448-33-4

>  <URL> (329)
http://www.selleckchem.com/products/ml-7.html

$$$$
CC-115.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (330)
3285

>  <Formula> (330)
C16H16N8O

>  <MolWeight> (330)
336.35124

>  <Cat> (330)
S7891

>  <Name> (330)
CC-115

>  <Synonyms> (330)
N/A

>  <Target> (330)
DNA-PK

>  <Form> (330)
Free Base

>  <CAS> (330)
1228013-15-7

>  <URL> (330)
http://www.selleckchem.com/products/cc-115.html

$$$$
CZ415.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (331)
3286

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C22H29N5O4S

>  <MolWeight> (331)
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S8298

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CZ415

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N/A

>  <Target> (331)
mTOR

>  <Form> (331)
Free Base

>  <CAS> (331)
1429639-50-8

>  <URL> (331)
http://www.selleckchem.com/products/cz415.html

$$$$
Apoptozole.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (332)
3291

>  <Formula> (332)
C33H25F6N3O3

>  <MolWeight> (332)
625.5603192

>  <Cat> (332)
S8365

>  <Name> (332)
Apoptozole

>  <Synonyms> (332)
Apoptosis Activator VII

>  <Target> (332)
HSP

>  <Form> (332)
Free Base

>  <CAS> (332)
1054543-47-3

>  <URL> (332)
http://www.selleckchem.com/products/apoptozole.html

$$$$
Y-39983 HCl.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (333)
3293

>  <Formula> (333)
C16H18Cl2N4O

>  <MolWeight> (333)
353.24632

>  <Cat> (333)
S7935

>  <Name> (333)
Y-39983 HCl

>  <Synonyms> (333)
Y-33075 HCl

>  <Target> (333)
ROCK

>  <Form> (333)
dihydrochloride

>  <CAS> (333)
173897-44-4

>  <URL> (333)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/01292311242D

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>  <Mol_ID> (334)
3297

>  <Formula> (334)
C21H20N2O3S

>  <MolWeight> (334)
380.4601

>  <Cat> (334)
S8448

>  <Name> (334)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (334)
N/A

>  <Target> (334)
ROCK

>  <Form> (334)
Free Base

>  <CAS> (334)
557782-81-7

>  <URL> (334)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
GSK2269557.cdx
csChFnd80/01292311242D

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329689-23-8

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Akt

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hydrochloride

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1313883-00-9

>  <URL> (337)
http://www.selleckchem.com/products/arq-092.html

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PNU-74654

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N/A

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Wnt/beta-catenin

>  <Form> (339)
Free Base

>  <CAS> (339)
113906-27-7

>  <URL> (339)
http://www.selleckchem.com/products/pnu-74654.html

$$$$
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csChFnd80/01292311242D

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3337

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C27H24F5N5O3

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BAY 1217389

>  <Synonyms> (340)
N/A

>  <Target> (340)
Kinesin

>  <Form> (340)
Free Base

>  <CAS> (340)
1554458-53-5

>  <URL> (340)
http://www.selleckchem.com/products/bay-1217389.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/01292311242D

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>  <Mol_ID> (341)
3344

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C19H15N3O2

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CP21R7 (CP21)

>  <Synonyms> (341)
N/A

>  <Target> (341)
Wnt/beta-catenin

>  <Form> (341)
Free Base

>  <CAS> (341)
125314-13-8

>  <URL> (341)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (342)
3349

>  <Formula> (342)
C14H18ClN3O3RS

>  <MolWeight> (342)
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>  <Cat> (342)
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>  <Name> (342)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (342)
N/A

>  <Target> (342)
ROCK

>  <Form> (342)
hydrochloride

>  <CAS> (342)
155558-32-0 (HCl salt)

>  <URL> (342)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
TGR-1202.cdx
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>  <Mol_ID> (348)
3385

>  <Formula> (348)
C24H18N2O3S

>  <MolWeight> (348)
414.47632

>  <Cat> (348)
S8427

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LTURM34

>  <Synonyms> (348)
N/A

>  <Target> (348)
DNA-PK

>  <Form> (348)
free base

>  <CAS> (348)
1879887-96-3

>  <URL> (348)
http://www.selleckchem.com/products/lturm34.html

$$$$
GDC-0326.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (349)
3393

>  <Formula> (349)
C19H22N6O3

>  <MolWeight> (349)
382.41638

>  <Cat> (349)
S8157

>  <Name> (349)
GDC-0326

>  <Synonyms> (349)
N/A

>  <Target> (349)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (349)
free base

>  <CAS> (349)
1282514-88-8

>  <URL> (349)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

$$$$
Tirofiban Hydrochloride.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (350)
3400

>  <Formula> (350)
C22H39ClN2O6S

>  <MolWeight> (350)
495.07286

>  <Cat> (350)
S8594

>  <Name> (350)
Tirofiban Hydrochloride

>  <Synonyms> (350)
MK-383 Hydrochloride

>  <Target> (350)
GPIIb/IIIa

>  <Form> (350)
hydrochloride hydrate

>  <CAS> (350)
150915-40-5

>  <URL> (350)
http://www.selleckchem.com/products/tirofiban-hydrochlorid.html

$$$$
3BDO.cdx
csChFnd80/01292311242D

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M  END
>  <Mol_ID> (351)
3401

>  <Formula> (351)
C18H17NO5

>  <MolWeight> (351)
327.33128

>  <Cat> (351)
S8317

>  <Name> (351)
3BDO

>  <Synonyms> (351)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (351)
FKBP1A

>  <Form> (351)
free base

>  <CAS> (351)
890405-51-3

>  <URL> (351)
http://www.selleckchem.com/products/3bdo.html

$$$$
SF2523.cdx
csChFnd80/01292311242D

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DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

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free base

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1174428-47-7

>  <URL> (352)
http://www.selleckchem.com/products/sf2523.html

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C25H31N5O4

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TRC051384

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N/A

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HSP70

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free base

>  <CAS> (353)
867164-40-7

>  <URL> (353)
http://www.selleckchem.com/products/trc051384.html

$$$$
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ATN-161 (Ac-PHSCN-NH2)

>  <Synonyms> (354)
N/A

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integrin ¦Á5¦Â1,¦Áv¦Â3

>  <Form> (354)
free base

>  <CAS> (354)
262438-43-7

>  <URL> (354)
http://www.selleckchem.com/products/atn-161.html

$$$$
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>  <Formula> (355)
C19H17N5O3

>  <MolWeight> (355)
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>  <Cat> (355)
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>  <Synonyms> (355)
N/A

>  <Target> (355)
PI3K¦Á 

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>  <CAS> (355)
1268454-23-4

>  <URL> (355)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Autophinib.cdx
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Autophinib

>  <Synonyms> (356)
N/A

>  <Target> (356)
autophagy

>  <Form> (356)
free base

>  <CAS> (356)
1644443-47-9

>  <URL> (356)
http://www.selleckchem.com/products/autophinib.html

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C19H16ClNO3

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PF-06409577

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N/A

>  <Target> (357)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (357)
free base

>  <CAS> (357)
1467057-23-3

>  <URL> (357)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
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>  <Mol_ID> (358)
3463

>  <Formula> (358)
C24H25FN6O2

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>  <Cat> (358)
S8644

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GNF-6231

>  <Synonyms> (358)
N/A

>  <Target> (358)
Porcupine

>  <Form> (358)
free base

>  <CAS> (358)
1243245-18-2

>  <URL> (358)
http://www.selleckchem.com/products/gnf-6231.html

$$$$
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>  <Mol_ID> (359)
3479

>  <Formula> (359)
C23H26N2O2S

>  <MolWeight> (359)
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>  <Name> (359)
iCRT3

>  <Synonyms> (359)
N/A

>  <Target> (359)
Wnt/¦Â-catenin

>  <Form> (359)
free base

>  <CAS> (359)
901751-47-1

>  <URL> (359)
http://www.selleckchem.com/products/icrt3.html

$$$$
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>  <Mol_ID> (360)
3497

>  <Formula> (360)
C38H44N2O6

>  <MolWeight> (360)
624.76576

>  <Cat> (360)
S5144

>  <Name> (360)
Neferine

>  <Synonyms> (360)
(R)-1,2-Dimethoxyaporphine

>  <Target> (360)
Others

>  <Form> (360)
free base

>  <CAS> (360)
2292-16-2

>  <URL> (360)
http://www.selleckchem.com/products/neferine.html

$$$$
IWP-O1.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (361)
3591

>  <Formula> (361)
C26H20N6O

>  <MolWeight> (361)
432.4766

>  <Cat> (361)
S8645

>  <Name> (361)
IWP-O1

>  <Synonyms> (361)
N/A

>  <Target> (361)
Wnt/beta-catenin

>  <Form> (361)
free base

>  <CAS> (361)
2074607-48-8

>  <URL> (361)
http://selleckchem.com/products/iwp-O1.html

$$$$
SNS-314.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (362)
3619

>  <Formula> (362)
C18H15ClN6OS2

>  <MolWeight> (362)
430.9343

>  <Cat> (362)
S8699

>  <Name> (362)
SNS-314 Mesylate

>  <Synonyms> (362)
N/A

>  <Target> (362)
Aurora Kinase

>  <CAS> (362)
1057249-41-8

>  <URL> (362)
http://selleckchem.com/products/sns-314.html

$$$$
KPT-9274.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (363)
3628

>  <Formula> (363)
C35H29F3N4O3

>  <MolWeight> (363)
610.6249696

>  <Cat> (363)
S8444

>  <Name> (363)
KPT-9274

>  <Synonyms> (363)
N/A

>  <Target> (363)
NAMPT,PAK

>  <Form> (363)
free base

>  <CAS> (363)
1643913-93-2

>  <URL> (363)
http://selleckchem.com/products/kpt-9274.html

$$$$
Asciminib(ABL001).cdx
csChFnd80/01292311242D

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C20H18ClF2N5O3

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Asciminib (ABL001)

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N/A

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Bcr-Abl

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free base

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1492952-76-7

>  <URL> (364)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
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csChFnd80/01292311242D

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Tenalisib (RP6530)

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N/A

>  <Target> (365)
PI3K

>  <Form> (365)
free base

>  <CAS> (365)
1639417-53-0

>  <URL> (365)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
S5321 Y15.cdx
csChFnd80/01292311242D

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C6H14Cl4N4

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Y15

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1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (366)
FAK

>  <Form> (366)
tetrahydrochloride 

>  <CAS> (366)
4506-66-5

>  <URL> (366)
http://selleckchem.com/products/y15.html

$$$$
S5313 SC66.cdx
csChFnd80/01292311242D

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3710

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SC66

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Akt

>  <Form> (367)
free base

>  <CAS> (367)
871361-88-5

>  <URL> (367)
http://selleckchem.com/products/sc66.html

$$$$
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 13 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 24 29  2  0  0  0  0
 23 30  1  0  0  0  0
 11 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 11  1  0  0  0  0
M  END
>  <Mol_ID> (368)
3716

>  <Formula> (368)
C27H32FN5O2

>  <MolWeight> (368)
477.5736832

>  <Cat> (368)
S8680

>  <Name> (368)
AZD1390

>  <Synonyms> (368)
N/A

>  <Target> (368)
ATM/ATR

>  <Form> (368)
free base

>  <CAS> (368)
2089288-03-7

>  <URL> (368)
http://selleckchem.com/products/azd1390.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/01292311242D

 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
    7.2746    4.2000    0.0000 C   0  0  2  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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.6061    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    1.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (369)
3776

>  <Formula> (369)
C21H28O2

>  <MolWeight> (369)
312.44582

>  <Cat> (369)
S3792

>  <Name> (369)
Guggulsterone E&Z

>  <Synonyms> (369)
N/A

>  <Target> (369)
FXR

>  <Form> (369)
free base

>  <CAS> (369)
95975-55-6

>  <URL> (369)
http://selleckchem.com/products/guggulsterone.html

$$$$
S5256 Benproperine phosphate.cdx
csChFnd80/01292311242D

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.4512    0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4521    2.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6637    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    2.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    2.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8786    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    4.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0742    0.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8777    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789    4.9179    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2608    0.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    2.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789    6.3168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0923    4.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2608    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1009    6.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    6.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0998    8.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    8.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8795    9.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1205    4.0206    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.5205    4.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1205    2.6206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7205    4.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1205    5.4206    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  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  2  0  0  0  0
M  END
>  <Mol_ID> (370)
3810

>  <Formula> (370)
C21H30NO5P

>  <MolWeight> (370)
407.440361

>  <Cat> (370)
S5256

>  <Name> (370)
Benproperine phosphate

>  <Synonyms> (370)
Blascorid, Pirexyl phosphate

>  <Target> (370)
Others

>  <Form> (370)
phosphate 

>  <CAS> (370)
19428-14-9

>  <URL> (370)
http://selleckchem.com/products/benproperine-phosphate.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/01292311242D

 24 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    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
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (371)
3832

>  <Formula> (371)
C22H42O2

>  <MolWeight> (371)
338.56768

>  <Cat> (371)
S5383

>  <Name> (371)
Erucic acid

>  <Synonyms> (371)
cis-13-docosenoic acid

>  <Target> (371)
Others

>  <Form> (371)
free base

>  <CAS> (371)
112-86-7

>  <URL> (371)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5422 Trimethyloctadecylammonium bromide.cdx
csChFnd80/01292311242D

 23 21  0  0  0  0  0  0  0  0999 V2000
   18.2225    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0175    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4273    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8405    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6696    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5705    2.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9304    2.0858    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.3936    1.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6590    0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2299    3.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5369    3.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1606    1.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0119    1.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7510    1.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5742    1.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3320    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1550    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8942    1.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6799    1.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4469    1.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2701    1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5223    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (372)
3840

>  <Formula> (372)
C21H46BrN

>  <MolWeight> (372)
392.50064

>  <Cat> (372)
S5422

>  <Name> (372)
Trimethyloctadecylammonium bromide

>  <Synonyms> (372)
Octadecyltrimethylammonium bromide

>  <Target> (372)
Dynamin

>  <Form> (372)
bromide 

>  <CAS> (372)
1120-02-1

>  <URL> (372)
http://selleckchem.com/products/trimethyloctadecylammonium-bromide.html

$$$$
S5440 Berberine Sulfate.cdx
csChFnd80/01292311242D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  3  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
    9.6995    4.2000    0.0000 C   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
    6.0622    2.1000    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
    4.8497    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
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9906    8.3694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    7.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3829    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1300    2.5311    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5300    2.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1300    1.1311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1300    3.9311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7300    2.5311    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  7  2  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
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  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
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 19 20  1  0  0  0  0
 21 23  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (373)
3856

>  <Formula> (373)
C20H19NO8S

>  <MolWeight> (373)
433.43176

>  <Cat> (373)
S5440

>  <Name> (373)
Berberine Sulfate

>  <Synonyms> (373)
Umbellatine Sulfate

>  <Target> (373)
Anti-infection

>  <Form> (373)
sulfate 

>  <CAS> (373)
633-66-9

>  <URL> (373)
http://selleckchem.com/products/berberine-sulfate.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/01292311242D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.2942    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2942    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    4.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7237    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    0.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6313    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9320    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    4.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1404    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    4.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8414    4.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (374)
3865

>  <Formula> (374)
C20H20O4

>  <MolWeight> (374)
324.3704

>  <Cat> (374)
S5456

>  <Name> (374)
Isobavachalcone

>  <Synonyms> (374)
Corylifolinin

>  <Target> (374)
Anti-infection

>  <Form> (374)
free base

>  <CAS> (374)
20784-50-3

>  <URL> (374)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/01292311242D

 44 47  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    6.3088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    7.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    8.4089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    7.7088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3081    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9127    5.6077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1259    6.3082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4868    4.2081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2685    3.5047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2685    2.0984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4837    1.3968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6956    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9036    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    9.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002   10.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9127    4.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3387    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5510    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7635    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9759    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    6.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1886    8.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9782    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6138    8.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6133    5.6060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
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  3  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  1  0  0  0
 25 28  1  6  0  0  0
 24 29  1  1  0  0  0
 23 30  1  1  0  0  0
 22 20  1  6  0  0  0
 17 20  1  1  0  0  0
 31 32  1  0  0  0  0
 15 31  1  1  0  0  0
 18 33  1  6  0  0  0
 35 36  1  0  0  0  0
 34 35  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 37 42  2  0  0  0  0
 40 43  1  0  0  0  0
 39 44  1  0  0  0  0
 36 37  1  0  0  0  0
 19 34  1  1  0  0  0
 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (375)
3867

>  <Formula> (375)
C29H36O15

>  <MolWeight> (375)
624.58714

>  <Cat> (375)
S5458

>  <Name> (375)
Verbascoside

>  <Synonyms> (375)
Acteoside, Kusaginin

>  <Target> (375)
Immunology & Inflammation related

>  <Form> (375)
free base

>  <CAS> (375)
61276-17-3

>  <URL> (375)
http://selleckchem.com/products/verbascoside.html

$$$$
S5522 S-Trityl-L-cysteine.cdx
csChFnd80/01292311242D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.3997    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3997    1.7751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6998    2.9874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2998    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5998    4.1999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6997    5.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7997    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    8.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 10 21  2  0  0  0  0
 11 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
  8 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 11 26  2  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <Mol_ID> (376)
3895

>  <Formula> (376)
C22H21NO2S

>  <MolWeight> (376)
363.47264

>  <Cat> (376)
S5522

>  <Name> (376)
H-Cys(Trt)-OH

>  <Synonyms> (376)
L-Cys(Trt)-OH, H-L-Cys(Trt)-OH, S-Tritylcysteine

>  <Target> (376)
Kinesin

>  <Form> (376)
free base

>  <CAS> (376)
328542

>  <URL> (376)
http://selleckchem.com/products/h-cys-trt-oh.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/01292311242D

 72 80  0  0  0  0  0  0  0  0999 V2000
   27.7632   15.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.7632   16.8217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.5586   14.7207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0955   14.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9166   14.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0955   17.2577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   17.5267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.9166   18.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3415   15.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   13.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9155   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5309   18.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3288   16.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.1117   14.7207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.3415   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7109   19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8633   19.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   13.3115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.9075   15.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5696   20.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   22.9075   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6904   14.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0035   21.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6904   13.3115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   19.2690   11.9148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.7021    3.5108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7746    2.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4975    4.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2804    3.5108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (377)
3913

>  <Formula> (377)
C49H76O20

>  <MolWeight> (377)
985.11574

>  <Cat> (377)
S5554

>  <Name> (377)
Lanatoside C

>  <Synonyms> (377)
N/A

>  <Target> (377)
ATPase

>  <Form> (377)
free base

>  <CAS> (377)
17575-22-3

>  <URL> (377)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/01292311242D

 40 43  0  0  0  0  0  0  0  0999 V2000
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   18.1867    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7948    1.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (378)
3963

>  <Formula> (378)
C28H23ClF3N7O

>  <MolWeight> (378)
565.9767296

>  <Cat> (378)
S5205

>  <Name> (378)
Nilotinib hydrochloride

>  <Synonyms> (378)
AMN-107 HCl

>  <Target> (378)
Bcr-Abl

>  <Form> (378)
hydrochloride 

>  <CAS> (378)
923288-95-3

>  <URL> (378)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5369 Ethoxyquin.cdx
csChFnd80/01292311242D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (379)
3979

>  <Formula> (379)
C14H19NO

>  <MolWeight> (379)
217.30676

>  <Cat> (379)
S5369

>  <Name> (379)
Ethoxyquin

>  <Form> (379)
free base

>  <CAS> (379)
91-53-2

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/01292311242D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4329    2.0759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (380)
4062

>  <Formula> (380)
C15H24N2O2

>  <MolWeight> (380)
264.36326

>  <Cat> (380)
S9384

>  <Name> (380)
Sophocarpine Monohydrate

>  <Form> (380)
free base

>  <CAS> (380)
 145572-44-7

$$$$
S9416 Triptonide.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (381)
4086

>  <Formula> (381)
C20H22O6

>  <MolWeight> (381)
358.38508

>  <Cat> (381)
S9416

>  <Name> (381)
Triptonide

>  <Form> (381)
free base

>  <CAS> (381)
38647-11-9

$$$$

csChFnd80/01292311242D

 25 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (382)
4161

>  <Formula> (382)
C18H22ClN5S

>  <MolWeight> (382)
375.91878

>  <Cat> (382)
S5919

>  <Name> (382)
KHS101 hydrochloride

>  <Synonyms> (382)
N/A

>  <Target> (382)
Microtubule Associat

>  <Form> (382)
hydrochloride

>  <CAS> (382)
1784282-12-7

>  <URL> (382)
http://www.selleckchem.com/products/khs101-hydrochloride.html

$$$$

csChFnd80/01292311242D

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>  <Mol_ID> (383)
4172

>  <Formula> (383)
C13H15N3O2S

>  <MolWeight> (383)
277.3421

>  <Cat> (383)
S5933

>  <Name> (383)
K 858

>  <Synonyms> (383)
N/A

>  <Target> (383)
Kinesin

>  <Form> (383)
Free Base

>  <CAS> (383)
72926-24-0

>  <URL> (383)
http://www.selleckchem.com/products/k858.html

$$$$

csChFnd80/01292311242D

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>  <Mol_ID> (384)
4174

>  <Formula> (384)
C19H33NO2

>  <MolWeight> (384)
307.47082

>  <Cat> (384)
S5950

>  <Name> (384)
Fingolimod

>  <Form> (384)
Free Base

>  <CAS> (384)
162359-55-9

$$$$

csChFnd80/01292311242D

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>  <Mol_ID> (385)
4184

>  <Formula> (385)
C23H14ClF3N6O

>  <MolWeight> (385)
482.8450696

>  <Cat> (385)
S8560

>  <Name> (385)
Seletalisib (UCB-5857)

>  <Synonyms> (385)
N/A

>  <Target> (385)
PI3K

>  <Form> (385)
Free Base

>  <CAS> (385)
1362850-20-1

>  <URL> (385)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/01292311242D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  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
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  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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 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 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 12 31  1  0  0  0  0
M  END
>  <Mol_ID> (386)
4188

>  <Formula> (386)
C24H18ClN3O3

>  <MolWeight> (386)
431.87102

>  <Cat> (386)
S8654

>  <Name> (386)
ex229 (compound 991)

>  <Synonyms> (386)
N/A

>  <Target> (386)
AMPK

>  <Form> (386)
Free Base

>  <CAS> (386)
1219739-36-2

>  <URL> (386)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/01292311242D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 15 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 22 24  2  0  0  0  0
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M  END
>  <Mol_ID> (387)
4196

>  <Formula> (387)
C20H16N4O

>  <MolWeight> (387)
328.36724

>  <Cat> (387)
S8729

>  <Name> (387)
AZ32

>  <Synonyms> (387)
N/A

>  <Target> (387)
ATM/ATR

>  <Form> (387)
Free Base

>  <CAS> (387)
No CAS

>  <URL> (387)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/01292311242D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  2  8  1  0  0  0  0
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 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 19  7  1  0  0  0  0
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 24  8  1  0  0  0  0
 14 25  1  0  0  0  0
 12 29  1  0  0  0  0
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 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (388)
4198

>  <Formula> (388)
C17H20F3N7O2

>  <MolWeight> (388)
411.3816096

>  <Cat> (388)
S8738

>  <Name> (388)
Bimiralisib (PQR309)

>  <Synonyms> (388)
N/A

>  <Target> (388)
PI3K

>  <Form> (388)
Free Base

>  <CAS> (388)
1225037-39-7

>  <URL> (388)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/01292311242D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (389)
4204

>  <Formula> (389)
C21H25F3N6O2

>  <MolWeight> (389)
450.4574096

>  <Cat> (389)
S8752

>  <Name> (389)
leniolisib(CDZ 173)

>  <Synonyms> (389)
N/A

>  <Target> (389)
PI3K

>  <Form> (389)
Free Base

>  <CAS> (389)
1354690-24-6

>  <URL> (389)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/01292311242D

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4209

>  <Formula> (390)
C29H24FN7O

>  <MolWeight> (390)
505.5455632

>  <Cat> (390)
S8761

>  <Name> (390)
Adavivint (SM04690)

>  <Synonyms> (390)
N/A

>  <Target> (390)
Wnt/beta-catenin

>  <Form> (390)
Free Base

>  <CAS> (390)
1467093-03-3

>  <URL> (390)
http://www.selleckchem.com/products/adavivint.html

$$$$

csChFnd80/01292311242D

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>  <Mol_ID> (391)
4211

>  <Formula> (391)
C26H23FN8O

>  <MolWeight> (391)
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>  <Cat> (391)
S8764

>  <Name> (391)
IITZ-01

>  <Synonyms> (391)
N/A

>  <Target> (391)
Autophagy

>  <Form> (391)
Free Base

>  <CAS> (391)
1807988-47-1

>  <URL> (391)
http://www.selleckchem.com/products/iitz-01.html

$$$$
S9054 Pectolinarin.cdx
csChFnd80/01292311242D

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>  <Mol_ID> (392)
4237

>  <Formula> (392)
C29H34O15

>  <MolWeight> (392)
622.57126

>  <Cat> (392)
S9054

>  <Name> (392)
Pectolinarin

>  <Form> (392)
free base

>  <CAS> (392)
28978-02-1

$$$$
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csChFnd80/01292311242D

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free base

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449733-84-0

$$$$

csChFnd80/01292311242D

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4282

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free base

>  <CAS> (394)
30220-46-3

$$$$
S9111 Isorhamnetin.cdx
csChFnd80/01292311242D

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>  <Cat> (395)
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Isorhamnetin

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free base

>  <CAS> (395)
480-19-3

$$$$
S9114 Polyphyllin I.cdx
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50773-41-6

$$$$
S9121 Irigenin.cdx
csChFnd80/01292311242D

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free base

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548-76-5

$$$$
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4315

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C37H40N2O6

>  <MolWeight> (398)
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>  <Cat> (398)
S9141

>  <Name> (398)
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>  <CAS> (398)
478-61-5

$$$$
S9172 Phellodendrine.cdx
csChFnd80/01292311242D

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342.40886

>  <Cat> (399)
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>  <Form> (399)
free base

>  <CAS> (399)
6873-13-8

$$$$
S9182 Crebanine.cdx
csChFnd80/01292311242D

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25127-29-1

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Oroxin B

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114482-86-9

$$$$

csChFnd80/01292311242D

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CDK

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160807-49-8

>  <URL> (402)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$
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csChFnd80/01292311242D

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53452-16-7

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 21  8  1  6  0  0  0
 32 11  1  1  0  0  0
M  END
>  <Mol_ID> (404)
4382

>  <Formula> (404)
C26H28O14

>  <MolWeight> (404)
564.49212

>  <Cat> (404)
S9234

>  <Name> (404)
Schaftoside

>  <CAS> (404)
51938-32-0

$$$$
S9245 Phellodendrine chloride.cdx
csChFnd80/01292311242D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (405)
4390

>  <Formula> (405)
C20H24ClNO4

>  <MolWeight> (405)
377.86186

>  <Cat> (405)
S9245

>  <Name> (405)
Phellodendrine chloride

>  <Form> (405)
free base

>  <CAS> (405)
104112-82-5

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/01292311242D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (406)
4444

>  <Formula> (406)
C21H22O7

>  <MolWeight> (406)
386.39518

>  <Cat> (406)
S9315

>  <Name> (406)
Praeruptorin A

>  <Form> (406)
free base

>  <CAS> (406)
73069-25-7

$$$$
S9046 Berberine.cdx
csChFnd80/01292311242D

 25 29  0  0  0  0  0  0  0  0999 V2000
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    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (407)
4529

>  <Formula> (407)
C20H18NO4+

>  <MolWeight> (407)
336.36122

>  <Cat> (407)
S9046

>  <Name> (407)
Berberine

>  <Form> (407)
free base

>  <CAS> (407)
2086-83-1

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/01292311242D

 34 36  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 23  1  0  0  0  0
 14 17  1  0  0  0  0
  9 12  1  0  0  0  0
  2  9  1  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 31  1  0  0  0  0
 26 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 33  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
>  <Mol_ID> (408)
4599

>  <Formula> (408)
C22H27Cl2N7O2S

>  <MolWeight> (408)
524.46648

>  <Cat> (408)
S5254

>  <Name> (408)
Dasatinib hydrochloride

>  <Synonyms> (408)
BMS 354825 hydrochloride

>  <Target> (408)
Abl/Src

>  <Form> (408)
hydrochloride 

>  <CAS> (408)
854001-07-3

>  <URL> (408)
http://selleckchem.com/products/.html

$$$$

csChFnd80/01292311242D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
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 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (409)
4678

>  <Formula> (409)
C16H21Cl2N3

>  <MolWeight> (409)
326.26404

>  <Cat> (409)
S5670

>  <Name> (409)
Chloropyramine hydrochloride

>  <Synonyms> (409)
Halopyramine hydrochloride

>  <Target> (409)
Histamine Receptor

>  <Form> (409)
hydrochloride

>  <CAS> (409)
6170-42-9

>  <URL> (409)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/01292311242D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  2 11  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 20  1  0  0  0  0
 15 20  1  0  0  0  0
 10 18  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  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
 24 29  2  0  0  0  0
 21 24  1  0  0  0  0
  5 21  1  0  0  0  0
M  END
>  <Mol_ID> (410)
4771

>  <Formula> (410)
C18H19F3N2O4S2

>  <MolWeight> (410)
448.4796696

>  <Cat> (410)
S5815

>  <Name> (410)
WAY-316606

>  <Synonyms> (410)
N/A

>  <Target> (410)
Wnt/beta-catenin

>  <Form> (410)
Free Base

>  <CAS> (410)
915759-45-4

>  <URL> (410)
http://www.selleckchem.com/products/way-316606.html

$$$$

csChFnd80/01292311242D

 30 34  0  0  0  0  0  0  0  0999 V2000
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 15 23  1  0  0  0  0
 18 23  2  0  0  0  0
 14 22  1  0  0  0  0
 12 14  1  0  0  0  0
  2 12  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
  3 24  1  0  0  0  0
  7 30  1  0  0  0  0
M  END
>  <Mol_ID> (411)
4774

>  <Formula> (411)
C21H16FN7O

>  <MolWeight> (411)
401.3964432

>  <Cat> (411)
S5818

>  <Name> (411)
acalisib (GS-9820)

>  <Synonyms> (411)
CAL-120

>  <Target> (411)
PI3K

>  <Form> (411)
Free Base

>  <CAS> (411)
870281-34-8

>  <URL> (411)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/01292311242D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  2  7  1  0  0  0  0
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  9 10  2  0  0  0  0
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 11  7  1  0  0  0  0
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 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (412)
4793

>  <Formula> (412)
C19H21N3O3S

>  <MolWeight> (412)
371.45334

>  <Cat> (412)
S8789

>  <Name> (412)
SSE15206

>  <Synonyms> (412)
N/A

>  <Target> (412)
Microtubule Associat

>  <Form> (412)
Free Base

>  <CAS> (412)
1370046-40-4

>  <URL> (412)
http://www.selleckchem.com/products/sse15206.html

$$$$

csChFnd80/01292311242D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (413)
4796

>  <Formula> (413)
C27H19ClN2O3

>  <MolWeight> (413)
454.90436

>  <Cat> (413)
S8803

>  <Name> (413)
MK-3903

>  <Synonyms> (413)
N/A

>  <Target> (413)
AMPK

>  <Form> (413)
Free Base

>  <CAS> (413)
1219737-12-8

>  <URL> (413)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/01292311242D

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M  END
>  <Mol_ID> (414)
4824

>  <Formula> (414)
C31H42O17

>  <MolWeight> (414)
686.65498

>  <Cat> (414)
S9473

>  <Name> (414)
Nuzhenide

>  <Synonyms> (414)
Specnuezhenide

>  <Target> (414)
Others

>  <Form> (414)
Free Base

>  <CAS> (414)
39011-92-2

>  <URL> (414)
http://www.selleckchem.com/products/nuzhenide.html

$$$$

csChFnd80/01292311242D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (415)
4845

>  <Formula> (415)
C30H48O5

>  <MolWeight> (415)
488.69912

>  <Cat> (415)
S9514

>  <Name> (415)
Rotundic acid

>  <Synonyms> (415)
Rutundic acid

>  <Target> (415)
Others

>  <Form> (415)
Free Base

>  <CAS> (415)
20137-37-5

>  <URL> (415)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/01292311242D

 12 12  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (416)
4900

>  <Formula> (416)
C10H10O2

>  <MolWeight> (416)
162.1852

>  <Cat> (416)
S6221

>  <Name> (416)
Methyl cinnamate

>  <Synonyms> (416)
N/A

>  <Target> (416)
Others

>  <Form> (416)
free base

>  <CAS> (416)
103-26-4

>  <URL> (416)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/01292311242D

 27 30  0  0  0  0  0  0  0  0999 V2000
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C21H19ClNO4+

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Chelerythrine Chloride

>  <Synonyms> (417)
N/A

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PKC

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Chloride

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3895-92-9

>  <URL> (417)
http://www.selleck.cn/products/Chelerythrine-chloride.html

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 21  7  1  0  0  0  0
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5212

>  <Formula> (418)
C23H26N6O2

>  <MolWeight> (418)
418.49154

>  <Cat> (418)
S6414

>  <Name> (418)
Apilimod

>  <Synonyms> (418)
STA-5326

>  <Target> (418)
PI3K

>  <Form> (418)
Free Base

>  <CAS> (418)
541550-19-0

>  <URL> (418)
http://www.selleck.cn/products/apilimod.html

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>  <Mol_ID> (419)
5222

>  <Formula> (419)
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>  <MolWeight> (419)
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>  <Cat> (419)
S6424

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TAS-301

>  <Synonyms> (419)
N/A

>  <Target> (419)
Others

>  <Form> (419)
Free Base

>  <CAS> (419)
193620-69-8

>  <URL> (419)
http://www.selleck.cn/products/tas-301.html

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>  <Formula> (420)
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>  <MolWeight> (420)
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>  <Synonyms> (420)
N/A

>  <Target> (420)
BACE

>  <Form> (420)
free base

>  <CAS> (420)
333745-53-2

>  <URL> (420)
http://www.selleck.cn/products/lx2343.html

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M  END
>  <Mol_ID> (421)
6547

>  <Formula> (421)
C16H15N3O2

>  <MolWeight> (421)
281.3092

>  <Cat> (421)
S6506

>  <Name> (421)
Compound 401

>  <Synonyms> (421)
N/A

>  <Target> (421)
DNA-PK

>  <Form> (421)
free base

>  <CAS> (421)
168425-64-7

>  <URL> (421)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/01292311242D

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 17 18  1  0  0  0  0
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 28 29  1  0  0  0  0
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 30 31  1  0  0  0  0
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 12 30  1  0  0  0  0
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  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (422)
6555

>  <Formula> (422)
C21H28N8O3S2

>  <MolWeight> (422)
504.62882

>  <Cat> (422)
S6516

>  <Name> (422)
GNE-477

>  <Synonyms> (422)
N/A

>  <Target> (422)
PI3K

>  <Form> (422)
free base

>  <CAS> (422)
1032754-81-6

>  <URL> (422)
http://www.selleck.cn/products/gne-477.html

$$$$

csChFnd80/01292311242D

 31 34  0  0  0  0  0  0  0  0999 V2000
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   13.4875    0.5123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0000    2.4248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  1  2  1  0  0  0  0
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 15 22  1  0  0  0  0
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  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (423)
6572

>  <Formula> (423)
C20H14Cl2FN5O2S

>  <MolWeight> (423)
478.3268632

>  <Cat> (423)
S6541

>  <Name> (423)
MTX-211

>  <Synonyms> (423)
N/A

>  <Target> (423)
EGFR

>  <Form> (423)
free base

>  <CAS> (423)
1952236-05-3

>  <URL> (423)
http://www.selleck.cn/products/mtx-211.html

$$$$

csChFnd80/01292311242D

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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 12  2  0  0  0  0
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 33 28  1  0  0  0  0
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 26 39  1  0  0  0  0
 36 40  2  0  0  0  0
M  END
>  <Mol_ID> (424)
6575

>  <Formula> (424)
C28H28F3N5O4

>  <MolWeight> (424)
555.5482296

>  <Cat> (424)
S6545

>  <Name> (424)
BI-4464

>  <Synonyms> (424)
N/A

>  <Target> (424)
FAK

>  <Form> (424)
free base

>  <CAS> (424)
1227948-02-8

>  <URL> (424)
http://www.selleck.cn/products/bi-4464.html

$$$$

csChFnd80/01292311242D

 26 28  0  0  0  0  0  0  0  0999 V2000
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   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  7 16  2  0  0  0  0
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
 20 23  1  0  0  0  0
 25 26  1  0  0  0  0
 19 25  1  0  0  0  0
 14 17  1  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (425)
6586

>  <Formula> (425)
C19H20N4O3

>  <MolWeight> (425)
352.3871

>  <Cat> (425)
S6571

>  <Name> (425)
BQR695

>  <Synonyms> (425)
NVP-BQR695

>  <Target> (425)
PI4K

>  <Form> (425)
free base

>  <CAS> (425)
1513879-21-4

>  <URL> (425)
http://www.selleck.cn/products/bqr695.html

$$$$

csChFnd80/01292311242D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.6993    8.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    8.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.8464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    8.2463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    6.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0307    8.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8538    7.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0308    6.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.8462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4635    5.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5267    4.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1442    0.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0251    1.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    6.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0462    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  1  7  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5 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
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 16 19  1  0  0  0  0
  9 13  1  0  0  0  0
 12 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 27 30  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
>  <Mol_ID> (426)
6588

>  <Formula> (426)
C22H18ClN5O2

>  <MolWeight> (426)
419.86362

>  <Cat> (426)
S6574

>  <Name> (426)
KDU691

>  <Synonyms> (426)
N/A

>  <Target> (426)
PI4K

>  <Form> (426)
free base

>  <CAS> (426)
1513879-19-0

>  <URL> (426)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/01292311242D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   16.9741    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 27  1  0  0  0  0
  6 32  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  2  0  0  0  0
  9 23  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  2  0  0  0  0
 11 24  1  0  0  0  0
 12 23  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (427)
6591

>  <Formula> (427)
C20H25F3N6O3

>  <MolWeight> (427)
454.4461096

>  <Cat> (427)
S6577

>  <Name> (427)
PKC-theta inhibitor

>  <Synonyms> (427)
N/A

>  <Target> (427)
PKC

>  <Form> (427)
free base

>  <CAS> (427)
736048-65-0

>  <URL> (427)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/01292311242D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9679    4.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7554    5.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11  7  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 10  1  0  0  0  0
 10 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  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (428)
6609

>  <Formula> (428)
C21H17N3O2S

>  <MolWeight> (428)
375.44358

>  <Cat> (428)
S8704

>  <Name> (428)
iCRT14

>  <Synonyms> (428)
N/A

>  <Target> (428)
Wnt/beta-catenin

>  <Form> (428)
free base

>  <CAS> (428)
677331-12-3

>  <URL> (428)
http://www.selleck.cn/products/icrt14.html

$$$$

csChFnd80/01292311242D

 20 21  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2 13  2  0  0  0  0
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  8 10  2  0  0  0  0
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 10 15  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (429)
6645

>  <Formula> (429)
C14H12N2O4

>  <MolWeight> (429)
272.25608

>  <Cat> (429)
S6568

>  <Name> (429)
ML346

>  <Synonyms> (429)
N/A

>  <Target> (429)
HSP (e.g. HSP90)

>  <Form> (429)
Free Base

>  <CAS> (429)
100872-83-1

>  <URL> (429)
http://www.selleck.cn/products/ml346.html

$$$$

csChFnd80/01292311242D

 29 32  0  0  0  0  0  0  0  0999 V2000
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S6616

>  <Name> (430)
ETC-159

>  <Synonyms> (430)
ETC-1922159

>  <Target> (430)
Wnt/beta-catenin

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Free Base

>  <CAS> (430)
1638250-96-0

>  <URL> (430)
http://www.selleck.cn/products/etc-159.html

$$$$

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  8  9  1  0  0  0  0
  5 28  1  0  0  0  0
M  END
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6673

>  <Formula> (431)
C18H13ClF2N6O

>  <MolWeight> (431)
402.7852264

>  <Cat> (431)
S6636

>  <Name> (431)
Azaindole 1 (TC-S 7001)

>  <Synonyms> (431)
N/A

>  <Target> (431)
ROCK

>  <Form> (431)
Free Base

>  <CAS> (431)
867017-68-3

>  <URL> (431)
http://www.selleck.cn/products/azaindole-1.html

$$$$

csChFnd80/01292311242D

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M  END
>  <Mol_ID> (432)
6690

>  <Formula> (432)
C21H22ClN3OS2

>  <MolWeight> (432)
432.00188

>  <Cat> (432)
S6718

>  <Name> (432)
MKT-077

>  <Synonyms> (432)
FJ-776

>  <Target> (432)
Others

>  <Form> (432)
Free Base

>  <CAS> (432)
147366-41-4

>  <URL> (432)
http://www.selleck.cn/products/mkt-077.html

$$$$

csChFnd80/01292311242D

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>  <Mol_ID> (433)
6691

>  <Formula> (433)
C24H21Cl2N3OS3

>  <MolWeight> (433)
534.54404

>  <Cat> (433)
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>  <Name> (433)
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>  <Synonyms> (433)
N/A

>  <Target> (433)
HSP (e.g. HSP90)

>  <Form> (433)
Free Base

>  <CAS> (433)
1456551-16-8

>  <URL> (433)
http://www.selleck.cn/products/jg98.html

$$$$

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C22H23F3N8O

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S6723

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IDE-196

>  <Target> (434)
PKC

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Free Base

>  <CAS> (434)
1874276-76-2

>  <URL> (434)
http://www.selleck.cn/products/lxs-196.html

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csChFnd80/01292311242D

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>  <Formula> (435)
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>  <MolWeight> (435)
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>  <Cat> (435)
S6745

>  <Name> (435)
JW55

>  <Synonyms> (435)
N/A

>  <Target> (435)
Wnt/beta-catenin

>  <Form> (435)
Free Base

>  <CAS> (435)
664993-53-7

>  <URL> (435)
http://www.selleck.cn/products/jw55.html

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6715

>  <Formula> (436)
C16H17N3O2

>  <MolWeight> (436)
283.32508

>  <Cat> (436)
S6751

>  <Name> (436)
Brevianamide F

>  <Synonyms> (436)
N/A

>  <Target> (436)
Others

>  <Form> (436)
Free Base

>  <CAS> (436)
38136-70-8

>  <URL> (436)
http://www.selleck.cn/products/brevianamide-f.html

$$$$

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>  <Mol_ID> (437)
6721

>  <Formula> (437)
C25H26N8O

>  <MolWeight> (437)
454.52694

>  <Cat> (437)
S7716

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>  <Synonyms> (437)
N/A

>  <Target> (437)
HSP (e.g. HSP90)

>  <Form> (437)
Free Base

>  <CAS> (437)
1260533-36-5

>  <URL> (437)
http://www.selleck.cn/products/tas-116.html

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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  1  7  1  0  0  0  0
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M  END
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6729

>  <Formula> (438)
C36H32N6O3

>  <MolWeight> (438)
596.67768

>  <Cat> (438)
S8839

>  <Name> (438)
Borussertib

>  <Synonyms> (438)
N/A

>  <Target> (438)
Akt

>  <Form> (438)
Free Base

>  <CAS> (438)
1800070-77-2

>  <URL> (438)
http://www.selleck.cn/products/borussertib.html

$$$$

csChFnd80/01292311242D

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   10.2563    5.9686    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  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 17  1  0  0  0  0
  8 18  2  0  0  0  0
  7 19  1  0  0  0  0
 16 20  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 14  2  0  0  0  0
 17 24  1  0  0  0  0
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M  END
>  <Mol_ID> (439)
6730

>  <Formula> (439)
C18H20N8O2

>  <MolWeight> (439)
380.4038

>  <Cat> (439)
S8843

>  <Name> (439)
AZD7648

>  <Synonyms> (439)
N/A

>  <Target> (439)
DNA-PK

>  <Form> (439)
Free Base

>  <CAS> (439)
2230820-11-6

>  <URL> (439)
http://www.selleck.cn/products/azd7648.html

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csChFnd80/01292311242D

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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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M  END
>  <Mol_ID> (440)
6734

>  <Formula> (440)
C15H19N3O2

>  <MolWeight> (440)
273.33026

>  <Cat> (440)
S8861

>  <Name> (440)
Mavacamten (MYK-461)

>  <Synonyms> (440)
N/A

>  <Target> (440)
Others

>  <Form> (440)
Free Base

>  <CAS> (440)
1642288-47-8

>  <URL> (440)
http://www.selleck.cn/products/myk-461.html

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csChFnd80/01292311242D

 21 20  0  0  0  0  0  0  0  0999 V2000
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6756

>  <Formula> (441)
C18H37NO2

>  <MolWeight> (441)
299.49188

>  <Cat> (441)
S2210

>  <Name> (441)
Sphingosine

>  <Synonyms> (441)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (441)
Others

>  <Form> (441)
Free Base

>  <CAS> (441)
123-78-4

>  <URL> (441)
http://www.selleck.cn/products/sphingosine.html

$$$$

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>  <Formula> (442)
C26H30F3N7O2

>  <MolWeight> (442)
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>  <Synonyms> (442)
N/A

>  <Target> (442)
FLT3

>  <Form> (442)
Free Base

>  <CAS> (442)
630124-46-8

>  <URL> (442)
http://www.selleck.cn/products/ast-487.html

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csChFnd80/01292311242D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 14  7  2  0  0  0  0
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 19  9  1  0  0  0  0
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 16 30  1  0  0  0  0
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6783

>  <Formula> (443)
C23H19ClF2N2O3

>  <MolWeight> (443)
444.8583664

>  <Cat> (443)
S6673

>  <Name> (443)
CCG-222740

>  <Synonyms> (443)
N/A

>  <Target> (443)
Rho

>  <Form> (443)
Free Base

>  <CAS> (443)
1922098-69-8

>  <URL> (443)
http://www.selleck.cn/products/ccg-222740.html

$$$$

csChFnd80/01292311242D

 29 33  0  0  0  0  0  0  0  0999 V2000
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  3  5  1  0  0  0  0
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6793

>  <Formula> (444)
C23H21N5O

>  <MolWeight> (444)
383.44574

>  <Cat> (444)
S8500

>  <Name> (444)
BAY1125976

>  <Synonyms> (444)
N/A

>  <Target> (444)
Akt

>  <Form> (444)
Free Base

>  <CAS> (444)
1402608-02-9

>  <URL> (444)
http://www.selleck.cn/products/bay1125976.html

$$$$

csChFnd80/01292311242D

 38 39  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (445)
6824

>  <Formula> (445)
C23H30Cl2NNa2O6P

>  <MolWeight> (445)
564.346701

>  <Cat> (445)
S2441

>  <Name> (445)
Estramustine phosphate sodium

>  <Synonyms> (445)
EMP, Emcyt, Estracyt

>  <Target> (445)
Microtubule Associated

>  <Form> (445)
Phosphate sodium

>  <CAS> (445)
52205-73-9

>  <URL> (445)
http://www.selleck.cn/products/estramustine-phosphate-sodium.html

$$$$

csChFnd80/01292311242D

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>  <Mol_ID> (446)
6825

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C13H17N3O2

>  <MolWeight> (446)
247.29298

>  <Cat> (446)
S2444

>  <Name> (446)
Parbendazole

>  <Synonyms> (446)
SKF 29044

>  <Target> (446)
Microtubule Associated

>  <Form> (446)
Free Base

>  <CAS> (446)
14255-87-9

>  <URL> (446)
http://www.selleck.cn/products/parbendazole.html

$$$$

csChFnd80/01292311242D

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M  END
>  <Mol_ID> (447)
6854

>  <Formula> (447)
C46H51F3N6O8S2

>  <MolWeight> (447)
937.0577496

>  <Cat> (447)
S8953

>  <Name> (447)
ASP4132

>  <Synonyms> (447)
N/A

>  <Target> (447)
AMPK

>  <Form> (447)
Free Base

>  <CAS> (447)
1640294-30-9

>  <URL> (447)
http://www.selleckchem.com/products/asp4132.html

$$$$

csChFnd80/01292311242D

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M  END
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6855

>  <Formula> (448)
C26H23N5O2

>  <MolWeight> (448)
437.49312

>  <Cat> (448)
S8961

>  <Name> (448)
Alobresib (GS-5829)

>  <Synonyms> (448)
N/A

>  <Target> (448)
Epigenetic Reader Do

>  <Form> (448)
Free Base

>  <CAS> (448)
1637771-14-2

>  <URL> (448)
http://www.selleckchem.com/products/alobresib.html

$$$$

csChFnd80/01292311242D

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6862

>  <Formula> (449)
C19H19N5

>  <MolWeight> (449)
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>  <Cat> (449)
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>  <Synonyms> (449)
N/A

>  <Target> (449)
Src

>  <Form> (449)
Free Base

>  <CAS> (449)
221243-82-9

>  <URL> (449)
http://www.selleckchem.com/products/1-na-pp1.html

$$$$

csChFnd80/01292311242D

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M  END
>  <Mol_ID> (450)
6887

>  <Formula> (450)
C12H8ClNO4S

>  <MolWeight> (450)
297.71422

>  <Cat> (450)
S6796

>  <Name> (450)
BTB-1

>  <Synonyms> (450)
N/A

>  <Target> (450)
Kinesin

>  <Form> (450)
Free Base

>  <CAS> (450)
86030-08-2

>  <URL> (450)
http://www.selleckchem.com/products/btb-1.html

$$$$

csChFnd80/01292311242D

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M  END
>  <Mol_ID> (451)
6908

>  <Formula> (451)
C43H46F3N7O7S

>  <MolWeight> (451)
861.9282496

>  <Cat> (451)
S8888

>  <Name> (451)
GMB-475

>  <Synonyms> (451)
N/A

>  <Target> (451)
PROTAC

>  <Form> (451)
Free Base

>  <CAS> (451)
no cas

>  <URL> (451)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/01292311242D

 52 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (452)
6932

>  <Formula> (452)
C39H65N5O8

>  <MolWeight> (452)
731.9621

>  <Cat> (452)
S0328

>  <Name> (452)
MMAF

>  <Synonyms> (452)
Monomethylauristatin F

>  <Target> (452)
Microtubule Associat

>  <Form> (452)
Free Base

>  <CAS> (452)
745017-94-1

>  <URL> (452)
http://www.selleckchem.com/products/mmaf.html

$$$$

csChFnd80/01292311242D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   16.4620    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
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  5 14  1  0  0  0  0
  6 17  1  0  0  0  0
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  7 21  1  0  0  0  0
  7 23  1  0  0  0  0
  8 20  2  0  0  0  0
  8 30  1  0  0  0  0
  9 23  1  0  0  0  0
  9 30  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 27  1  0  0  0  0
 24 29  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (453)
6933

>  <Formula> (453)
C21H18F3N5O

>  <MolWeight> (453)
413.3957296

>  <Cat> (453)
S0360

>  <Name> (453)
EGFR?Inhibitor

>  <Synonyms> (453)
N/A

>  <Target> (453)
EGFR

>  <Form> (453)
Free Base

>  <CAS> (453)
879127-07-8

>  <URL> (453)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/01292311242D

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 29 22  1  0  0  0  0
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 31 32  1  0  0  0  0
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 20 30  1  0  0  0  0
 22 33  1  1  0  0  0
 25 34  1  0  0  0  0
 28 35  2  0  0  0  0
 32 36  1  1  0  0  0
 26 37  1  1  0  0  0
 30 38  1  1  0  0  0
 31 38  1  6  0  0  0
 30 39  1  0  0  0  0
 20 40  1  6  0  0  0
 40 41  1  0  0  0  0
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M  END
>  <Mol_ID> (454)
6952

>  <Formula> (454)
C32H43ClN2O9

>  <MolWeight> (454)
635.14482

>  <Cat> (454)
S2447

>  <Name> (454)
Ansamitocin P-3

>  <Synonyms> (454)
Antibiotic C 15003P3

>  <Target> (454)
ADC Cytotoxin

>  <Form> (454)
Free Base

>  <CAS> (454)
66584-72-3

>  <URL> (454)
http://www.selleckchem.com/products/ansamitocin-p-3-maytansinol-isobutyrate.html

$$$$

csChFnd80/01292311242D

 38 41  0  0  0  0  0  0  0  0999 V2000
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   15.9821    0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3976    2.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0218    2.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1740    4.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6954    5.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 38  1  0  0  0  0
M  END
>  <Mol_ID> (455)
6978

>  <Formula> (455)
C30H28O8

>  <MolWeight> (455)
516.53852

>  <Cat> (455)
S7862

>  <Name> (455)
Rottlerin

>  <Synonyms> (455)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (455)
PKC

>  <Form> (455)
Free Base

>  <CAS> (455)
82-08-6

>  <URL> (455)
http://www.selleckchem.com/products/rottlerin.html

$$$$

csChFnd80/01292311242D

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 16 18  1  0  0  0  0
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 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  3  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
 25 24  1  0  0  0  0
  4 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30  4  1  0  0  0  0
 26 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (456)
6981

>  <Formula> (456)
C21H25F2N7O2

>  <MolWeight> (456)
445.4657064

>  <Cat> (456)
S8784

>  <Name> (456)
PQR620

>  <Synonyms> (456)
N/A

>  <Target> (456)
mTOR

>  <Form> (456)
Free Base

>  <CAS> (456)
1927857-56-4

>  <URL> (456)
http://www.selleckchem.com/products/pqr620.html

$$$$

csChFnd80/01292311242D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  2 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (457)
7022

>  <Formula> (457)
C16H18N2O2S

>  <MolWeight> (457)
302.39132

>  <Cat> (457)
S0279

>  <Name> (457)
Dimethylenastron

>  <Target> (457)
Kinesin

>  <Form> (457)
free base

>  <CAS> (457)
863774-58-7

>  <URL> (457)
http://www.selleckchem.com/products/dimethylenastron.html

$$$$

csChFnd80/01292311242D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2 19  1  0  0  0  0
  2 28  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  2  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 20  2  0  0  0  0
 13 21  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 23 27  1  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (458)
7024

>  <Formula> (458)
C21H19N3O2S2

>  <MolWeight> (458)
409.52446

>  <Cat> (458)
S0294

>  <Name> (458)
HSF1A

>  <Target> (458)
HSP (HSP90)

>  <Form> (458)
free base

>  <CAS> (458)
1196723-93-9

>  <URL> (458)
http://www.selleckchem.com/products/hsf1a.html

$$$$

csChFnd80/01292311242D

 32 34  0  0  0  0  0  0  0  0999 V2000
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    7.2509   13.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2492   14.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0355   15.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  2  7  1  0  0  0  0
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  3  9  1  0  0  0  0
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 17 18  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  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
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 28 23  1  0  0  0  0
 24 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (459)
7028

>  <Formula> (459)
C24H21Cl2NO5

>  <MolWeight> (459)
474.33324

>  <Cat> (459)
S0314

>  <Name> (459)
TR-14035

>  <Target> (459)
Integrin

>  <Form> (459)
free base

>  <CAS> (459)
232271-19-1

>  <URL> (459)
http://www.selleckchem.com/products/tr-14035.html

$$$$

csChFnd80/01292311242D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  1 23  1  0  0  0  0
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  4  7  1  0  0  0  0
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 10 15  1  0  0  0  0
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 13 18  2  0  0  0  0
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 18 21  1  0  0  0  0
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 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (460)
7038

>  <Formula> (460)
C22H16ClN3O2

>  <MolWeight> (460)
389.83434

>  <Cat> (460)
S0444

>  <Name> (460)
Indibulin

>  <Target> (460)
Microtubule Associat

>  <Form> (460)
free base

>  <CAS> (460)
204205-90-3

>  <URL> (460)
http://www.selleckchem.com/products/Indibulin.html

$$$$

csChFnd80/01292311242D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (461)
7041

>  <Formula> (461)
C14H10N4O3S

>  <MolWeight> (461)
314.3192

>  <Cat> (461)
S0458

>  <Name> (461)
KY1220

>  <Target> (461)
Wnt/beta-catenin

>  <Form> (461)
free base

>  <CAS> (461)
292168-79-7

>  <URL> (461)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/01292311242D

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M  END
>  <Mol_ID> (462)
7055

>  <Formula> (462)
C25H34N6O8S2

>  <MolWeight> (462)
610.70286

>  <Cat> (462)
S0785

>  <Name> (462)
Apilimod mesylate

>  <Target> (462)
Interleukins

>  <Form> (462)
mesylate

>  <CAS> (462)
870087-36-8

>  <URL> (462)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/01292311242D

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M  END
>  <Mol_ID> (463)
7070

>  <Formula> (463)
C43H57N5O11S

>  <MolWeight> (463)
852.00458

>  <Cat> (463)
S2440

>  <Name> (463)
Vindesine sulfate

>  <Target> (463)
Microtubule Associat

>  <Form> (463)
sulfate

>  <CAS> (463)
59917-39-4

>  <URL> (463)
http://www.selleckchem.com/products/vindesine-sulfate.html

$$$$

csChFnd80/01292311242D

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    9.0319    6.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3621    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200    7.8812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8653    2.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0784    4.3631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417    2.1459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    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 24  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 25  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 26  1  6  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  1  0  0  0  0
  7 27  1  6  0  0  0
  8 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  1  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  1  0  0  0
 16 18  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (464)
7075

>  <Formula> (464)
C21H32O2

>  <MolWeight> (464)
316.47758

>  <Cat> (464)
S3206

>  <Name> (464)
5a-Pregnane-3,20-dione

>  <Target> (464)
Microtubule Associat

>  <Form> (464)
free base

>  <CAS> (464)
566-65-4

>  <URL> (464)
http://www.selleckchem.com/products/5a-pregnane-320-dione.html

$$$$

csChFnd80/01292311242D

 10 10  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
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    0.0000    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
    4.8455    3.4927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5879    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
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (465)
7082

>  <Formula> (465)
C7H7NO2

>  <MolWeight> (465)
137.13598

>  <Cat> (465)
S3220

>  <Name> (465)
Trigonelline

>  <Target> (465)
Phospholipase (e.g. 

>  <Form> (465)
free base

>  <CAS> (465)
535-83-1

>  <URL> (465)
http://www.selleckchem.com/products/trigonelline.html

$$$$

csChFnd80/01292311242D

 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> (466)
7084

>  <Formula> (466)
C7H14O6

>  <MolWeight> (466)
194.18246

>  <Cat> (466)
S3223

>  <Name> (466)
L-Quebrachitol

>  <Target> (466)
TGF-beta/Smad

>  <Form> (466)
free base

>  <CAS> (466)
642-38-6

>  <URL> (466)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/01292311242D

 32 37  0  0  0  0  0  0  0  0999 V2000
    5.2310    4.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1825    4.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5405    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9874    6.0631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    5.1422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4759    5.8422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5563    3.7817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    5.8422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    7.2422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5078    4.9083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9405    3.6373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7996    7.9908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    7.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    7.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    5.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    7.2713    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6884    6.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    5.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    9.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8777    5.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    8.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0173    8.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311   10.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    9.5396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3125    6.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8126    4.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9405    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6824    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6175    5.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  9  1  1  1  0  0  0
 13  2  1  1  0  0  0
  2 29  1  0  0  0  0
 26  3  1  1  0  0  0
  4 28  1  0  0  0  0
  4 32  1  0  0  0  0
  5 29  2  0  0  0  0
  6 32  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  1  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  6  0  0  0
 11 14  1  0  0  0  0
 11 16  1  1  0  0  0
 12 13  1  0  0  0  0
 12 22  1  1  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 14 24  1  1  0  0  0
 15 16  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  6  0  0  0
 21 25  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  2  0  0  0  0
 23 26  1  0  0  0  0
 25 26  1  0  0  0  0
 27 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (467)
7085

>  <Formula> (467)
C26H34O6

>  <MolWeight> (467)
442.54456

>  <Cat> (467)
S3224

>  <Name> (467)
Cinobufagin

>  <Target> (467)
ATM/ATR

>  <Form> (467)
free base

>  <CAS> (467)
470-37-1

>  <URL> (467)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/01292311242D

 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
    8.6885    2.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (468)
7092

>  <Formula> (468)
C24H32O4

>  <MolWeight> (468)
384.50848

>  <Cat> (468)
S3238

>  <Name> (468)
Resibufogenin

>  <Target> (468)
RIP kinase

>  <Form> (468)
free base

>  <CAS> (468)
465-39-4

>  <URL> (468)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/01292311242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   11.1757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 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 10  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (469)
7094

>  <Formula> (469)
C17H18O4

>  <MolWeight> (469)
286.32242

>  <Cat> (469)
S3241

>  <Name> (469)
Loureirin A

>  <Target> (469)
Akt

>  <Form> (469)
free base

>  <CAS> (469)
119425-89-7

>  <URL> (469)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/01292311242D

 38 45  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
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    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0000    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
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5976    0.0000 C   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
    4.8455    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  6  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 16 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 15 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
 21 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 13 32  1  0  0  0  0
 11 33  1  0  0  0  0
  3 34  1  0  0  0  0
  1 35  1  0  0  0  0
 23 36  1  0  0  0  0
  7 37  2  0  0  0  0
 25 38  2  0  0  0  0
M  END
>  <Mol_ID> (470)
7121

>  <Formula> (470)
C30H16O8

>  <MolWeight> (470)
504.44324

>  <Cat> (470)
S3273

>  <Name> (470)
Hypericin

>  <Target> (470)
MAO

>  <Form> (470)
free base

>  <CAS> (470)
548-04-9

>  <URL> (470)
http://www.selleckchem.com/products/hypericin.html

$$$$

csChFnd80/01292311242D

 26 29  0  0  0  0  0  0  0  0999 V2000
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    9.8528    7.0576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792    9.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9418    2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3441    8.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6013    9.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8640    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    4.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  1  0  0  0  0
  6 20  2  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (471)
7135

>  <Formula> (471)
C19H12O7

>  <MolWeight> (471)
352.29438

>  <Cat> (471)
S3289

>  <Name> (471)
Daphnoretin

>  <Target> (471)
PKC

>  <Form> (471)
free base

>  <CAS> (471)
2034-69-7

>  <URL> (471)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/01292311242D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    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
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    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    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
    9.6869    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (472)
7139

>  <Formula> (472)
C16H17NO3

>  <MolWeight> (472)
271.31108

>  <Cat> (472)
S3294

>  <Name> (472)
Demethyl-Coclaurine

>  <Target> (472)
Adrenergic Receptor

>  <Form> (472)
free base

>  <CAS> (472)
5843-65-2

>  <URL> (472)
http://www.selleckchem.com/products/demethyl-coclaurine.html

$$$$

csChFnd80/01292311242D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8854    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8754    4.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3878    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 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 12  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (473)
7141

>  <Formula> (473)
C16H12O6

>  <MolWeight> (473)
300.26288

>  <Cat> (473)
S3296

>  <Name> (473)
Hispidulin

>  <Target> (473)
Pim

>  <Form> (473)
free base

>  <CAS> (473)
1447-88-7

>  <URL> (473)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/01292311242D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    1.2124    6.2951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  1  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (474)
7144

>  <Formula> (474)
C19H18NO4+

>  <MolWeight> (474)
324.35052

>  <Cat> (474)
S3299

>  <Name> (474)
Demethyleneberberine

>  <Target> (474)
Peroxidases

>  <Form> (474)
free base

>  <CAS> (474)
25459-91-0

>  <URL> (474)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/01292311242D

 34 36  0  0  0  0  0  0  0  0999 V2000
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 28 29  1  0  0  0  0
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 31 32  1  0  0  0  0
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M  END
>  <Mol_ID> (475)
7161

>  <Formula> (475)
C27H33ClN2O4

>  <MolWeight> (475)
485.01492

>  <Cat> (475)
S6760

>  <Name> (475)
LM22B-10

>  <Target> (475)
Trk receptor

>  <Form> (475)
free base

>  <CAS> (475)
342777-54-2

>  <URL> (475)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/01292311242D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (476)
7166

>  <Formula> (476)
C27H24N6

>  <MolWeight> (476)
432.51966

>  <Cat> (476)
S6811

>  <Name> (476)
Miransertib (ARQ-092)

>  <Target> (476)
Akt

>  <Form> (476)
free base

>  <CAS> (476)
1313881-70-7

>  <URL> (476)
http://www.selleckchem.com/products/miransertib.html

$$$$

csChFnd80/01292311242D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (477)
7169

>  <Formula> (477)
C15H18Cl2N2O2S

>  <MolWeight> (477)
361.28662

>  <Cat> (477)
S6847

>  <Name> (477)
ML-9 HCl

>  <Target> (477)
Akt

>  <Form> (477)
hydrochloride

>  <CAS> (477)
105637-50-1

>  <URL> (477)
http://www.selleckchem.com/products/ml-9-hcl.html

$$$$

csChFnd80/01292311242D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (478)
7219

>  <Formula> (478)
C18H19N5O3

>  <MolWeight> (478)
353.37516

>  <Cat> (478)
S8965

>  <Name> (478)
BO-264

>  <Target> (478)
TACC3

>  <Form> (478)
free base

>  <CAS> (478)
2408648-20-2

>  <URL> (478)
http://www.selleckchem.com/products/bo-264.html

$$$$

csChFnd80/01292311242D

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 27 29  2  0  0  0  0
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7229

>  <Formula> (479)
C22H13FN2O5

>  <MolWeight> (479)
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>  <Cat> (479)
S9602

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>  <Target> (479)
GSK-3

>  <Form> (479)
free base

>  <CAS> (479)
1034895-42-5

>  <URL> (479)
http://www.selleckchem.com/products/9-ing-41.html

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csChFnd80/01292311242D

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  2  3  1  0  0  0  0
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  1  7  1  0  0  0  0
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  4  9  1  0  0  0  0
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 19 14  1  0  0  0  0
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M  END
>  <Mol_ID> (480)
7230

>  <Formula> (480)
C13H16F3N5O

>  <MolWeight> (480)
315.2942496

>  <Cat> (480)
S9604

>  <Name> (480)
IM156

>  <Target> (480)
AMPK

>  <Form> (480)
free base

>  <CAS> (480)
1422365-93-2

>  <URL> (480)
http://www.selleckchem.com/products/im156.html

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csChFnd80/01292311242D

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M  END
>  <Mol_ID> (481)
7233

>  <Formula> (481)
C18H32O3

>  <MolWeight> (481)
296.44488

>  <Cat> (481)
S9611

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ABTL-0812

>  <Target> (481)
Others

>  <Form> (481)
free base

>  <CAS> (481)
57818-44-7

>  <URL> (481)
http://www.selleckchem.com/products/abtl-0812.html

$$$$

csChFnd80/01292311242D

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>  <Mol_ID> (482)
7248

>  <Formula> (482)
C28H26N4O3

>  <MolWeight> (482)
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>  <Cat> (482)
S1421

>  <Name> (482)
Staurosporine

>  <Synonyms> (482)
CGP 41251

>  <Target> (482)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (482)
Free Base

>  <CAS> (482)
62996-74-1

>  <URL> (482)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

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  5  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
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 15 16  1  0  0  0  0
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 19 20  1  0  0  0  0
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 21 22  2  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 18 45  1  0  0  0  0
 14 46  1  0  0  0  0
M  END
>  <Mol_ID> (483)
7250

>  <Formula> (483)
C45H74O

>  <MolWeight> (483)
631.06846

>  <Cat> (483)
S2360

>  <Name> (483)
Solanesol (Nonaisoprenol)

>  <Synonyms> (483)
Nonaisoprenol, Betulanonaprenol

>  <Target> (483)
others

>  <Form> (483)
Free Base

>  <CAS> (483)
13190-97-1

>  <URL> (483)
https://www.selleckchem.com/products/solanesol-nonaisoprenol.html

$$$$

csChFnd80/01292311242D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    6.4499    0.6422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9450    2.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2159    2.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  2  0  0  0  0
 11 18  2  0  0  0  0
 12 13  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (484)
7274

>  <Formula> (484)
C21H18N2O

>  <MolWeight> (484)
314.38042

>  <Cat> (484)
S0765

>  <Name> (484)
MAZ51

>  <Synonyms> (484)
N/A

>  <Target> (484)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (484)
Free Base

>  <CAS> (484)
163655-37-6

>  <URL> (484)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/01292311242D

 80 89  0  0  0  0  0  0  0  0999 V2000
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   23.0779    9.8820    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.0698    8.4217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    7.9348    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4336    7.2095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2088    7.9351    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2107    9.3529    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4413   10.0509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6426    9.3493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 39 36  1  0  0  0  0
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M  END
>  <Mol_ID> (485)
7287

>  <Formula> (485)
C51H82O21

>  <MolWeight> (485)
1031.18418

>  <Cat> (485)
S9156

>  <Name> (485)
Chonglou Saponin VII

>  <Synonyms> (485)
Dioscinin, Polyphyllin-VII, Paris saponin-VII

>  <Target> (485)
others

>  <Form> (485)
Free Base

>  <CAS> (485)
68124-04-9

>  <URL> (485)
https://www.selleckchem.com/products/chonglou-saponin-vii.html

$$$$

csChFnd80/01292311242D

 58 63  0  0  0  0  0  0  0  0999 V2000
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   12.1190    7.6972    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.5493    6.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (486)
7296

>  <Formula> (486)
C42H70O12

>  <MolWeight> (486)
766.998

>  <Cat> (486)
S9210

>  <Name> (486)
Ginsenoside Rk1

>  <Synonyms> (486)
N/A

>  <Target> (486)
others

>  <Form> (486)
Free Base

>  <CAS> (486)
494753-69-4

>  <URL> (486)
https://www.selleckchem.com/products/ginsenoside-rk1.html

$$$$

csChFnd80/01292311242D

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M  END
>  <Mol_ID> (487)
7304

>  <Formula> (487)
C19H20O5

>  <MolWeight> (487)
328.3591

>  <Cat> (487)
S9264

>  <Name> (487)
Decursin

>  <Synonyms> (487)
N/A

>  <Target> (487)
Immunology & Inflammation related

>  <Form> (487)
Free Base

>  <CAS> (487)
5928-25-6

>  <URL> (487)
https://www.selleckchem.com/products/decursin.html

$$$$

csChFnd80/01292311242D

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M  END
>  <Mol_ID> (488)
7313

>  <Formula> (488)
C57H92O28

>  <MolWeight> (488)
1225.32358

>  <Cat> (488)
S9304

>  <Name> (488)
Platycodin D

>  <Synonyms> (488)
N/A

>  <Target> (488)
Immunology & Inflammation related

>  <Form> (488)
Free Base

>  <CAS> (488)
58479-68-8

>  <URL> (488)
https://www.selleckchem.com/products/platycodin-d.html

$$$$

csChFnd80/01292311242D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (489)
7375

>  <Formula> (489)
C17H16FN5

>  <MolWeight> (489)
309.3408432

>  <Cat> (489)
S0373

>  <Name> (489)
CZC-8004

>  <Synonyms> (489)
CZC-00008004

>  <Target> (489)
Bcr-Abl

>  <Form> (489)
Free Base

>  <CAS> (489)
916603-07-1

>  <URL> (489)
https://www.selleckchem.com/products/czc-8004.html

$$$$

csChFnd80/01292311242D

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M  END
>  <Mol_ID> (490)
7396

>  <Formula> (490)
C16H12ClNO

>  <MolWeight> (490)
269.72558

>  <Cat> (490)
S0780

>  <Name> (490)
Oncrasin-1

>  <Synonyms> (490)
N/A

>  <Target> (490)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (490)
Free Base

>  <CAS> (490)
75629-57-1

>  <URL> (490)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/01292311242D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (491)
7400

>  <Formula> (491)
C16H11Cl2N3O2S

>  <MolWeight> (491)
380.24844

>  <Cat> (491)
S0795

>  <Name> (491)
O-304

>  <Synonyms> (491)
O-304X

>  <Target> (491)
AMPK

>  <Form> (491)
Free Base

>  <CAS> (491)
1261289-04-6

>  <URL> (491)
https://www.selleckchem.com/products/o-304.html

$$$$

csChFnd80/01292311242D

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  8 25  2  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (492)
7422

>  <Formula> (492)
C22H31N9O

>  <MolWeight> (492)
437.54124

>  <Cat> (492)
S1272

>  <Name> (492)
XL228

>  <Synonyms> (492)
N/A

>  <Target> (492)
Bcr-Abl. Aurora Kinase. IGF-1R. Src.

>  <Form> (492)
Free Base

>  <CAS> (492)
898280-07-4

>  <URL> (492)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/01292311242D

 44 48  0  0  0  0  0  0  0  0999 V2000
    2.4168    4.1768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6232    4.8734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    2.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    4.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    4.1733    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6232    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339    2.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0033    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    2.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573    4.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    6.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    0.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    2.0905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6705    2.7850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    2.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6705    4.1703    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    4.1847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9001    4.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    4.8621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    5.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2691    5.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6718    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8704    2.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4089    8.2967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6137    8.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6236   10.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8045    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7895    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    6.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    8.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5695    6.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4501    6.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   10.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   13.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5550   13.2183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  1  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  6  0  0  0
 11 19  1  0  0  0  0
 19 23  1  6  0  0  0
 15 24  1  1  0  0  0
 24 25  1  0  0  0  0
 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (493)
7423

>  <Formula> (493)
C29H30O13

>  <MolWeight> (493)
586.5407

>  <Cat> (493)
S1273

>  <Name> (493)
Amarogentin

>  <Synonyms> (493)
AG

>  <Target> (493)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (493)
Free Base

>  <CAS> (493)
21018-84-8

>  <URL> (493)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/01292311242D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (494)
7425

>  <Formula> (494)
C13H8O3

>  <MolWeight> (494)
212.20082

>  <Cat> (494)
S1321

>  <Name> (494)
Urolithin B

>  <Synonyms> (494)
N/A

>  <Target> (494)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (494)
Free Base

>  <CAS> (494)
1139-83-9

>  <URL> (494)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/01292311242D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.1573    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    4.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  2  0  0  0  0
 12 13  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> (495)
7426

>  <Formula> (495)
C16H12O3

>  <MolWeight> (495)
252.26468

>  <Cat> (495)
S1323

>  <Name> (495)
7-Methoxyisoflavone

>  <Synonyms> (495)
MIF

>  <Target> (495)
AMPK

>  <Form> (495)
Free Base

>  <CAS> (495)
1621-56-3

>  <URL> (495)
https://www.selleckchem.com/products/7-methoxyisoflavone.html

$$$$

csChFnd80/01292311242D

 38 39  0  0  0  0  0  0  0  0999 V2000
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   20.6005    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   14.5175    3.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    1.7946    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8425    5.2902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   24.1863    3.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    3.1918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3632    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0513    5.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    1.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    5.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    5.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7549    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    3.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7900    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    1.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6297    3.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9351    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    5.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    3.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    3.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    3.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    1.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    5.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9385    3.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3123    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1020    3.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3997    3.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1863    5.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    1.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 27  1  0  0  0  0
  3 33  1  0  0  0  0
  4 28  1  0  0  0  0
  4 34  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  2  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  2  0  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 14  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 23  2  0  0  0  0
 11 25  1  0  0  0  0
 12 24  2  0  0  0  0
 12 26  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 20  2  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  2  0  0  0  0
 26 32  2  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  2  0  0  0  0
 28 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (496)
7432

>  <Formula> (496)
C30H36Br2N4O2

>  <MolWeight> (496)
644.44044

>  <Cat> (496)
S2942

>  <Name> (496)
EB-3D

>  <Synonyms> (496)
N/A

>  <Target> (496)
Choline kinase. AMPK. Apoptosis related

>  <Form> (496)
Free Base

>  <CAS> (496)
1839150-63-8

>  <URL> (496)
https://www.selleckchem.com/products/eb-3d.html

$$$$

csChFnd80/01292311242D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.1332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 20  2  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (497)
7435

>  <Formula> (497)
C13H17Cl2N3O2S

>  <MolWeight> (497)
350.26398

>  <Cat> (497)
S2964

>  <Name> (497)
HA-100 dihydrochloride

>  <Synonyms> (497)
N/A

>  <Target> (497)
PKG, PKA, PKC, MLCK

>  <Form> (497)
Dihydrochlori

>  <CAS> (497)
210297-47-5

>  <URL> (497)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/01292311242D

 26 29  0  0  0  0  0  0  0  0999 V2000
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    8.5917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0166    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2290    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
 10 11  1  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
  5 14  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  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
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
>  <Mol_ID> (498)
7558

>  <Formula> (498)
C17H20N6O2S

>  <MolWeight> (498)
372.4447

>  <Cat> (498)
S6517

>  <Name> (498)
GNE-493

>  <Synonyms> (498)
N/A

>  <Target> (498)
PI3K. mTOR.

>  <Form> (498)
Free Base

>  <CAS> (498)
1033735-94-2

>  <URL> (498)
https://www.selleckchem.com/products/gne-493.html

$$$$

csChFnd80/01292311242D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4248    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
 11 14  1  0  0  0  0
 10 11  1  0  0  0  0
  4 10  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (499)
7562

>  <Formula> (499)
C15H15NO4S

>  <MolWeight> (499)
305.3489

>  <Cat> (499)
S6901

>  <Name> (499)
MSAB

>  <Synonyms> (499)
N/A

>  <Target> (499)
Wnt/beta-catenin

>  <Form> (499)
Free Base

>  <CAS> (499)
173436-66-3

>  <URL> (499)
https://www.selleckchem.com/products/msab.html

$$$$

csChFnd80/01292311242D

 35 39  0  0  0  0  0  0  0  0999 V2000
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    7.2662   10.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 12  7  1  0  0  0  0
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 17 18  2  0  0  0  0
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 20 14  1  0  0  0  0
 15 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 15  1  0  0  0  0
 11 26  1  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 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
 31 35  1  0  0  0  0
M  END
>  <Mol_ID> (500)
7565

>  <Formula> (500)
C26H24IN7O

>  <MolWeight> (500)
577.41953

>  <Cat> (500)
S6912

>  <Name> (500)
Vacuolin-1

>  <Synonyms> (500)
N/A

>  <Target> (500)
PIKfyve. Autophagy

>  <Form> (500)
Free Base

>  <CAS> (500)
351986-85-1

>  <URL> (500)
https://www.selleckchem.com/products/vacuolin-1.html

$$$$

csChFnd80/01292311242D

 40 46  0  0  0  0  0  0  0  0999 V2000
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   12.2956    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1923    0.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4713    1.5106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7783    1.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2800    2.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 11 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 10  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
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 33 34  2  0  0  0  0
 34 30  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 37  1  0  0  0  0
M  END
>  <Mol_ID> (501)
7638

>  <Formula> (501)
C29H29N7O3S

>  <MolWeight> (501)
555.65066

>  <Cat> (501)
S8948

>  <Name> (501)
SRX3207

>  <Synonyms> (501)
N/A

>  <Target> (501)
Syk

>  <Form> (501)
Free Base

>  <CAS> (501)
2254693-15-5

>  <URL> (501)
http://www.selleckchem.com/products/srx3207.html

$$$$

csChFnd80/01292311242D

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  1 25  2  0  0  0  0
  2 27  1  0  0  0  0
  3 27  2  0  0  0  0
  4 29  2  0  0  0  0
  5 31  2  0  0  0  0
  6 35  2  0  0  0  0
  7 39  1  0  0  0  0
  8 38  2  0  0  0  0
  9 39  2  0  0  0  0
 10 41  2  0  0  0  0
 11 21  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 26 12  1  1  0  0  0
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 30 13  1  1  0  0  0
 13 35  1  0  0  0  0
 14 31  1  0  0  0  0
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 33 16  1  6  0  0  0
 16 41  1  0  0  0  0
 17 40  1  0  0  0  0
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 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 28  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 32 39  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 40  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (502)
7733

>  <Formula> (502)
C23H38N10O10

>  <MolWeight> (502)
614.60882

>  <Cat> (502)
S4513

>  <Name> (502)
RGD peptide (GRGDNP)

>  <Synonyms> (502)
N/A

>  <Target> (502)
Integrin

>  <Form> (502)
Free Base

>  <CAS> (502)
114681-65-1

>  <URL> (502)
http://www.selleckchem.com/products/rgd-peptide-grgdnp-.html

$$$$

csChFnd80/01292311242D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4382    2.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506    2.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4382    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255    2.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8631    2.0920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6451    0.0047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (503)
7740

>  <Formula> (503)
C16H22O3

>  <MolWeight> (503)
262.34408

>  <Cat> (503)
S4572

>  <Name> (503)
Homosalate

>  <Synonyms> (503)
HMS, Homomenthyl salicylate

>  <Target> (503)
PI3K

>  <Form> (503)
Free Base

>  <CAS> (503)
118-56-9

>  <URL> (503)
http://www.selleckchem.com/products/homosalate.html

$$$$

csChFnd80/01292311242D

 43 48  0  0  0  0  0  0  0  0999 V2000
   10.3147    3.6039    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9570    7.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2096    5.2573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8363    3.4611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9695    1.5097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5243    4.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  1 37  1  0  0  0  0
  1 41  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 23  1  0  0  0  0
  6 21  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  2  0  0  0  0
  9 29  2  0  0  0  0
  9 33  1  0  0  0  0
 10 33  1  0  0  0  0
 10 36  1  0  0  0  0
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 11 30  1  0  0  0  0
 11 33  2  0  0  0  0
 12 37  2  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
 27 28  2  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  2  0  0  0  0
 38 40  2  0  0  0  0
 39 42  1  0  0  0  0
 40 43  1  0  0  0  0
 42 43  2  0  0  0  0
M  END
>  <Mol_ID> (504)
7804

>  <Formula> (504)
C31H40N8O3S

>  <MolWeight> (504)
604.7661

>  <Cat> (504)
S8917

>  <Name> (504)
ME-401

>  <Synonyms> (504)
PWT-143, P110¦Ä-IN-1

>  <Target> (504)
PI3K

>  <Form> (504)
Free Base

>  <CAS> (504)
1595129-71-7

>  <URL> (504)
http://www.selleckchem.com/products/me-401.html

$$$$

csChFnd80/01292311242D

109112  0  0  0  0  0  0  0  0999 V2000
   26.8878   22.7779    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.3618    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1038    4.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7244    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3948    6.3451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6400    9.9491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Synonyms> (505)
N/A

>  <Target> (505)
Gap-Junction

>  <Form> (505)
Free Base

>  <CAS> (505)
197250-15-0

>  <URL> (505)
http://www.selleckchem.com/products/gap-26.html

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7833

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129.16364

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1,1-Dimethylbiguanide

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AMPK

>  <Form> (506)
Free Base

>  <CAS> (506)
657-24-9

>  <URL> (506)
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csChFnd80/01292311242D

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7863

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>  <Synonyms> (507)
N/A

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HSP (HSP90)

>  <Form> (507)
Free Base

>  <CAS> (507)
897326-30-6

>  <URL> (507)
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 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (508)
7868

>  <Formula> (508)
C28H25ClF3N7O2

>  <MolWeight> (508)
583.9920096

>  <Cat> (508)
S4895

>  <Name> (508)
Nilotinib hydrochloride monohydrate

>  <Synonyms> (508)
Tasigna, AMN-107 hydrochloride monohydrate

>  <Target> (508)
Bcr-Abl

>  <Form> (508)
Hydrochloride monohydrate

>  <CAS> (508)
923288-90-8

>  <URL> (508)
http://www.selleckchem.com/products/nilotinib-hydrochloride-monohydrate.html

$$$$

csChFnd80/01292311242D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (509)
7889

>  <Formula> (509)
C24H30N8O

>  <MolWeight> (509)
446.548

>  <Cat> (509)
S8911

>  <Name> (509)
BOS172722

>  <Synonyms> (509)
N/A

>  <Target> (509)
MPS1

>  <Form> (509)
Free Base

>  <CAS> (509)
1578245-44-9

>  <URL> (509)
http://www.selleckchem.com/products/bos172722.html

$$$$

csChFnd80/01292311242D

 40 45  0  0  0  0  0  0  0  0999 V2000
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 25  5  1  0  0  0  0
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M  END
>  <Mol_ID> (510)
7909

>  <Formula> (510)
C30H26O10

>  <MolWeight> (510)
546.52144

>  <Cat> (510)
E0010

>  <Name> (510)
Hypocrellin A

>  <Synonyms> (510)
N/A

>  <Target> (510)
PKC

>  <Form> (510)
Free Base

>  <CAS> (510)
77029-83-5

>  <URL> (510)
http://www.selleckchem.com/products/hypocrellin-a.html

$$$$

csChFnd80/01292311242D

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    8.4871    4.7123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.4123    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    6.8123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.0123    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.3123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.6123    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
  1  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  1  0  0  0
  4  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  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  6  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  6  0  0  0
 17 25  1  0  0  0  0
 25 27  1  0  0  0  0
 13 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 11 31  1  0  0  0  0
 31 32  1  0  0  0  0
  3 32  1  0  0  0  0
  7 32  1  0  0  0  0
 32 33  1  1  0  0  0
  1 34  2  0  0  0  0
 31 35  1  6  0  0  0
M  END
>  <Mol_ID> (511)
7914

>  <Formula> (511)
C30H48O

>  <MolWeight> (511)
424.70152

>  <Cat> (511)
E0020

>  <Name> (511)
Lupenone

>  <Synonyms> (511)
Lup-20(29)-en-3-one, lupeone

>  <Target> (511)
Immunology & Inflammation related

>  <Form> (511)
Free Base

>  <CAS> (511)
1617-70-5

>  <URL> (511)
http://www.selleckchem.com/products/lupenone.html

$$$$

csChFnd80/01292311242D

 25 29  0  0  0  0  0  0  0  0999 V2000
    1.9637    4.9939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6534    6.5087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9662    1.6354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1885    6.1228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    3.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5168    4.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6480    3.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9721    3.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7911    2.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3637    4.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5192    5.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6444    2.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5459    5.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1840    2.8978    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
    9.9388    5.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7578    4.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 15  2  0  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  4 13  1  0  0  0  0
  4 17  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  2  0  0  0  0
  9 11  1  0  0  0  0
  9 17  2  0  0  0  0
 10 12  1  0  0  0  0
 10 18  2  0  0  0  0
 11 13  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 13 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (512)
7940

>  <Formula> (512)
C20H13N3O2

>  <MolWeight> (512)
327.33612

>  <Cat> (512)
S0754

>  <Name> (512)
Bisindolylmaleimide IV

>  <Synonyms> (512)
Arcyriarubin A, BIM IV, Compound 5/1a

>  <Target> (512)
CMV

>  <Form> (512)
Free Base

>  <CAS> (512)
119139-23-0

>  <URL> (512)
http://www.selleckchem.com/products/bisindolylmaleimide-iv.html

$$$$

csChFnd80/01292311242D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.0775    1.3314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821   12.6543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    4.2543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    6.3543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    8.4543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    8.4543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    2.1543    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8122    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2449    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6449    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    7.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    5.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    7.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    8.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    9.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697   10.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449   10.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697   11.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449   11.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573   12.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821   14.0543    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 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  2  0  0  0  0
  4 16  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  2  0  0  0  0
  6 16  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (513)
7953

>  <Formula> (513)
C20H22N4O2

>  <MolWeight> (513)
350.41428

>  <Cat> (513)
S1976

>  <Name> (513)
LCH-7749944

>  <Synonyms> (513)
GNF-PF-2356

>  <Target> (513)
PAK

>  <Form> (513)
Free Base

>  <CAS> (513)
796888-12-5

>  <URL> (513)
http://www.selleckchem.com/products/lch-7749944.html

$$$$

csChFnd80/01292311242D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.7324    9.9049    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4015    1.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4501    0.1443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    4.3049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5822    4.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3698    6.4048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    5.6563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    5.7049    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9449    6.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    5.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3698    3.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    7.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    3.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    2.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    6.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5822    5.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1573    1.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    6.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    8.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    2.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    5.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8343    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    8.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2196    6.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 15  1  0  0  0  0
  2 24  1  0  0  0  0
  3 19  1  0  0  0  0
  3 24  1  0  0  0  0
  4 11  1  0  0  0  0
  5 17  2  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  7 16  1  0  0  0  0
  7 28  2  0  0  0  0
  8  9  1  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 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
 12 15  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  2  0  0  0  0
 15 19  2  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 25  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (514)
7982

>  <Formula> (514)
C21H19ClN2O4

>  <MolWeight> (514)
398.83956

>  <Cat> (514)
S6193

>  <Name> (514)
YUM70

>  <Synonyms> (514)
N/A

>  <Target> (514)
HSP (HSP90)

>  <Form> (514)
Free Base

>  <CAS> (514)
423145-35-1

>  <URL> (514)
http://www.selleckchem.com/products/yum70.html

$$$$

csChFnd80/01292311242D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.4000   12.0673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5269    4.2484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1269    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9269    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2593    0.7193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7883    6.2559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2655    6.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0998    7.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540    7.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3145    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7393    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9909    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3145    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5269    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9909    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2593    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9747    4.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 22  2  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (515)
7983

>  <Formula> (515)
C16H23Cl2N3O2S

>  <MolWeight> (515)
392.34372

>  <Cat> (515)
S6214

>  <Name> (515)
H-1152 dihydrochloride

>  <Synonyms> (515)
H-1152 2HCl

>  <Target> (515)
Aurora Kinase

>  <Form> (515)
Dihydrochloride

>  <CAS> (515)
871543-07-6

>  <URL> (515)
http://www.selleckchem.com/products/h-1152-dihydrochloride.html

$$$$

csChFnd80/01292311242D

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.0655    5.3710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7981    7.9149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
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 13 14  1  0  0  0  0
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 18 22  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (516)
7989

>  <Formula> (516)
C20H21N5

>  <MolWeight> (516)
331.41424

>  <Cat> (516)
S6383

>  <Name> (516)
1-NM-PP1

>  <Synonyms> (516)
PP1 Analog II, 1NM-PP1

>  <Target> (516)
Src

>  <Form> (516)
Free Base

>  <CAS> (516)
221244-14-0

>  <URL> (516)
http://www.selleckchem.com/products/1-nm-pp1.html

$$$$

csChFnd80/01292311242D

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 29  1  1  0  0  0  0
  6  2  1  0  0  0  0
 19  2  2  0  0  0  0
  3  7  1  0  0  0  0
  5  3  1  0  0  0  0
 18  3  2  0  0  0  0
  4  6  1  0  0  0  0
  8  4  1  0  0  0  0
 16  5  1  0  0  0  0
  6 21  1  6  0  0  0
  7 30  1  1  0  0  0
  9  8  1  0  0  0  0
 22  8  2  0  0  0  0
 10  9  1  0  0  0  0
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 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
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 23 11  2  0  0  0  0
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 17 13  1  0  0  0  0
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 28 14  1  0  0  0  0
 25 15  2  0  0  0  0
 15 24  1  0  0  0  0
 16 33  1  1  0  0  0
 26 17  2  0  0  0  0
 31 17  1  0  0  0  0
 32 21  1  0  0  0  0
 27 34  1  0  0  0  0
 35 30  1  0  0  0  0
 36 30  1  0  0  0  0
 37 32  2  0  0  0  0
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 39 33  1  0  0  0  0
 34 39  1  0  0  0  0
 40 37  1  0  0  0  0
 41 38  2  0  0  0  0
 40 42  2  0  0  0  0
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M  END
>  <Mol_ID> (517)
7990

>  <Formula> (517)
C27H40N8O7

>  <MolWeight> (517)
588.6559

>  <Cat> (517)
S6387

>  <Name> (517)
Cilengitide

>  <Synonyms> (517)
EMD 121974, EMD-12192, EMD-85189, NSC-?707544

>  <Target> (517)
Integrin

>  <Form> (517)
Free Base

>  <CAS> (517)
188968-51-6

>  <URL> (517)
http://www.selleckchem.com/products/cilengitide.html

$$$$

csChFnd80/01292311242D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  1  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  4 17  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
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  8 12  1  1  0  0  0
 11 13  1  0  0  0  0
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 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (518)
7992

>  <Formula> (518)
C14H21N3O

>  <MolWeight> (518)
247.33604

>  <Cat> (518)
S6390

>  <Name> (518)
Y-27632

>  <Synonyms> (518)
N/A

>  <Target> (518)
ROCK

>  <Form> (518)
Free Base

>  <CAS> (518)
146986-50-7

>  <URL> (518)
http://www.selleckchem.com/products/y-27632.html

$$$$

csChFnd80/01292311242D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (519)
8005

>  <Formula> (519)
C20H11Cl2NO4

>  <MolWeight> (519)
400.21164

>  <Cat> (519)
S6953

>  <Name> (519)
GW406108X

>  <Synonyms> (519)
GW108X

>  <Target> (519)
Kinesin

>  <Form> (519)
Free Base

>  <CAS> (519)
1644443-92-4

>  <URL> (519)
http://www.selleckchem.com/products/gw406108x.html

$$$$

csChFnd80/01292311242D

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388592-44-7

>  <URL> (520)
http://www.selleckchem.com/products/ck-869.html

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csChFnd80/01292311242D

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>  <Formula> (521)
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>  <MolWeight> (521)
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>  <Cat> (521)
S8668

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>  <Synonyms> (521)
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2060571-02-8

>  <URL> (521)
http://www.selleckchem.com/products/gdc-0077.html

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 24 27  0  0  0  0  0  0  0  0999 V2000
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8024

>  <Formula> (522)
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>  <Cat> (522)
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BML-WN110

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Wnt/beta-catenin

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Free Base

>  <CAS> (522)
1123231-07-1

>  <URL> (522)
http://www.selleckchem.com/products/way-262611.html

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csChFnd80/01292311242D

 30 32  0  0  0  0  0  0  0  0999 V2000
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8032

>  <Formula> (523)
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>  <MolWeight> (523)
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>  <Cat> (523)
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>  <Target> (523)
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>  <CAS> (523)
2222094-18-8

>  <URL> (523)
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M  END
>  <Mol_ID> (524)
8042

>  <Formula> (524)
C100H179N45O25

>  <MolWeight> (524)
2411.77776

>  <Cat> (524)
S9887

>  <Name> (524)
P110

>  <Synonyms> (524)
N/A

>  <Target> (524)
Dynamin

>  <Form> (524)
Free Base

>  <CAS> (524)
Unknown

>  <URL> (524)
http://www.selleckchem.com/products/p110.html

$$$$

csChFnd80/01292311242D

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    6.1343    2.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5627    1.2089    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3478    1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1343    3.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5604    2.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3478    4.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2607    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9573    3.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7693    4.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5224    5.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5515    4.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8892    5.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1872    4.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4674    3.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4045    4.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3538    0.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1 14  1  0  0  0  0
  1 20  1  0  0  0  0
  2 24  1  0  0  0  0
  3 24  1  0  0  0  0
  6 21  2  0  0  0  0
  7 12  1  0  0  0  0
  7 28  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 25  1  0  0  0  0
 10 21  1  0  0  0  0
 10 26  1  0  0  0  0
 11 22  2  0  0  0  0
 12 26  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 19  1  6  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 14 29  1  1  0  0  0
M  END
>  <Mol_ID> (525)
8048

>  <Formula> (525)
C16H20F3N5O4S

>  <MolWeight> (525)
435.4213096

>  <Cat> (525)
S9948

>  <Name> (525)
Danicamtiv (MYK-491)

>  <Synonyms> (525)
SAR 440181

>  <Target> (525)
Cardiac Myosin

>  <Form> (525)
Free Base

>  <CAS> (525)
1970972-74-7

>  <URL> (525)
http://www.selleckchem.com/products/danicamtiv-myk-491.html

$$$$
