Bosutinib (SKI-606).cdx
csChFnd80/02262515262D

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>  <Mol_ID> (1)
9

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C26H29Cl2N5O3

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S1014

>  <Name> (1)
Bosutinib (SKI-606)

>  <Synonyms> (1)
SKI-606

>  <Target> (1)
Autophagy,Bcr-Abl,ERK,S6 Kinase,Src,STAT

>  <Form> (1)
free base

>  <CAS> (1)
380843-75-4

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

$$$$
Dasatinib.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (2)
12

>  <Formula> (2)
C22H26ClN7O2S

>  <MolWeight> (2)
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>  <Cat> (2)
S1021

>  <Name> (2)
Dasatinib (BMS-354825)

>  <Synonyms> (2)
BMS-354825

>  <Target> (2)
Apoptosis related,Autophagy,Bcr-Abl,c-Kit,Src

>  <Form> (2)
free base

>  <CAS> (2)
302962-49-8

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

$$$$
Imatinib Mesylate.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (3)
16

>  <Formula> (3)
C30H35N7O4S

>  <MolWeight> (3)
589.7084

>  <Cat> (3)
S1026

>  <Name> (3)
Imatinib (STI571) Mesylate

>  <Synonyms> (3)
Gleevec, Glivec, CGP-57148B,STI571

>  <Target> (3)
Autophagy,Bcr-Abl,c-Kit,PDGFR

>  <Form> (3)
Mesylate

>  <CAS> (3)
220127-57-1

>  <URL> (3)
http://selleckchem.com/products/Imatinib-Mesylate.html

$$$$
untitled.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (4)
21

>  <Formula> (4)
C28H22F3N7O

>  <MolWeight> (4)
529.5157896

>  <Cat> (4)
S1033

>  <Name> (4)
Nilotinib (AMN-107)

>  <Synonyms> (4)
AMN-107

>  <Target> (4)
AMPK,Autophagy,Bcr-Abl

>  <Form> (4)
free base

>  <CAS> (4)
641571-10-0

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

$$$$
1.cdx
csChFnd80/02262515262D

 26 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 10  2  1  0  0  0  0
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  4 15  1  0  0  0  0
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 26  7  1  0  0  0  0
M  END
>  <Mol_ID> (5)
26

>  <Formula> (5)
C19H16N4O3

>  <MolWeight> (5)
348.35534

>  <Cat> (5)
S1038

>  <Name> (5)
PI-103

>  <Synonyms> (5)
N/A

>  <Target> (5)
Apoptosis related,Autophagy,DNA-PK,mTOR,PI3K

>  <Form> (5)
free base

>  <CAS> (5)
371935-74-9

>  <URL> (5)
http://selleckchem.com/products/PI-103.html

$$$$
RAPAMYCIN.cdx
csChFnd80/02262515262D

 65 68  0  0  0  0  0  0  0  0999 V2000
    3.0668   14.6292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (6)
27

>  <Formula> (6)
C51H79NO13

>  <MolWeight> (6)
914.17186

>  <Cat> (6)
S1039

>  <Name> (6)
Rapamycin (AY-22989)

>  <Synonyms> (6)
Rapamune, Sirolimus, NSC-2260804,AY-22989

>  <Target> (6)
Antineoplastic and Immunosuppressive Antibiotics,Autophagy,mTOR

>  <Form> (6)
free base

>  <CAS> (6)
53123-88-9

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

$$$$
untitled.cdx
csChFnd80/02262515262D

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   14.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6272    2.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9895    3.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8149    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
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  8 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
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 15 10  1  0  0  0  0
  9 16  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  9  1  0  0  0  0
  7 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 25 21  2  0  0  0  0
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 32 30  1  0  0  0  0
 23 33  1  0  0  0  0
M  END
>  <Mol_ID> (7)
32

>  <Formula> (7)
C23H28N8OS

>  <MolWeight> (7)
464.58642

>  <Cat> (7)
S1048

>  <Name> (7)
Tozasertib

>  <Synonyms> (7)
VX-680, MK-0457

>  <Target> (7)
Aurora Kinase,Autophagy,Bcr-Abl,FLT3

>  <Form> (7)
free base

>  <CAS> (7)
639089-54-6

>  <URL> (7)
http://selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/02262515262D

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 16 18  1  1  0  0  0
  4 16  1  0  0  0  0
M  END
>  <Mol_ID> (8)
33

>  <Formula> (8)
C14H23Cl2N3O

>  <MolWeight> (8)
320.25792

>  <Cat> (8)
S1049

>  <Name> (8)
Y-27632 2HCl

>  <Synonyms> (8)
N/A

>  <Target> (8)
Autophagy,ROCK

>  <Form> (8)
Dihydrochloride

>  <CAS> (8)
129830-38-2

>  <URL> (8)
http://selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/02262515262D

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  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
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (9)
34

>  <Formula> (9)
C19H20N4O2S2

>  <MolWeight> (9)
400.5177

>  <Cat> (9)
S1052

>  <Name> (9)
Elesclomol (STA-4783)

>  <Synonyms> (9)
N/A

>  <Target> (9)
Apoptosis related,HSP (HSP90)

>  <Form> (9)
free base

>  <CAS> (9)
488832-69-5

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

$$$$
untitled.cdx
csChFnd80/02262515262D

 39 45  0  0  0  0  0  0  0  0999 V2000
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    5.8929    8.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 17  2  0  0  0  0
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  7 27  1  0  0  0  0
 27 28  1  0  0  0  0
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M  END
>  <Mol_ID> (10)
36

>  <Formula> (10)
C32H29N5O2

>  <MolWeight> (10)
515.60496

>  <Cat> (10)
S1055

>  <Name> (10)
Enzastaurin (LY317615)

>  <Synonyms> (10)
N/A

>  <Target> (10)
PKC

>  <Form> (10)
free base

>  <CAS> (10)
170364-57-5

>  <URL> (10)
http://selleckchem.com/products/Enzastaurin.html

$$$$
untitled.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (11)
40

>  <Formula> (11)
C28H30N6OS

>  <MolWeight> (11)
498.6424

>  <Cat> (11)
S1064

>  <Name> (11)
Masitinib (AB1010)

>  <Synonyms> (11)
N/A

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

>  <Form> (11)
free base

>  <CAS> (11)
790299-79-5

>  <URL> (11)
http://selleckchem.com/products/Masitinib-(AB1010).html

$$$$
untitled.cdx
csChFnd80/02262515262D

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    4.0603    3.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 14  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 17 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 29 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (12)
41

>  <Formula> (12)
C23H27N7O3S2

>  <MolWeight> (12)
513.63558

>  <Cat> (12)
S1065

>  <Name> (12)
Pictilisib (GDC-0941)

>  <Synonyms> (12)
RG7321

>  <Target> (12)
Apoptosis related,Autophagy,PI3K

>  <Form> (12)
free base

>  <CAS> (12)
957054-30-7

>  <URL> (12)
http://selleckchem.com/products/GDC-0941.html

$$$$
NVP-AUY922 .cdx
csChFnd80/02262515262D

 34 37  0  0  0  0  0  0  0  0999 V2000
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    3.9218    9.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
M  END
>  <Mol_ID> (13)
43

>  <Formula> (13)
C26H31N3O5

>  <MolWeight> (13)
465.54144

>  <Cat> (13)
S1069

>  <Name> (13)
Luminespib (NVP-AUY922)

>  <Synonyms> (13)
AUY-922, VER-52296

>  <Target> (13)
Apoptosis related,Autophagy,HSP (HSP90),IGF-1R

>  <Form> (13)
free base

>  <CAS> (13)
747412-49-3

>  <URL> (13)
http://selleckchem.com/products/NVP-AUY922.html

$$$$
1.cdx
csChFnd80/02262515262D

 30 34  0  0  0  0  0  0  0  0999 V2000
    3.6331    6.1529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
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  8 18  1  0  0  0  0
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 22  8  1  0  0  0  0
  7 23  1  0  0  0  0
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 27  7  1  0  0  0  0
 13 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (14)
44

>  <Formula> (14)
C19H21F2N7O2

>  <MolWeight> (14)
417.4125464

>  <Cat> (14)
S1072

>  <Name> (14)
ZSTK474

>  <Synonyms> (14)
N/A

>  <Target> (14)
PI3K

>  <Form> (14)
free base

>  <CAS> (14)
475110-96-4

>  <URL> (14)
http://selleckchem.com/products/ZSTK474.html

$$$$
1.cdx
csChFnd80/02262515262D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (15)
45

>  <Formula> (15)
C19H12Cl2N2O2

>  <MolWeight> (15)
371.21678

>  <Cat> (15)
S1075

>  <Name> (15)
SB216763

>  <Synonyms> (15)
N/A

>  <Target> (15)
Autophagy,GSK-3

>  <Form> (15)
free base

>  <CAS> (15)
280744-09-4

>  <URL> (15)
http://selleckchem.com/products/SB-216763.html

$$$$

csChFnd80/02262515262D

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M  END
>  <Mol_ID> (16)
48

>  <Formula> (16)
C25H23Cl2N5O

>  <MolWeight> (16)
480.38902

>  <Cat> (16)
S1078

>  <Name> (16)
MK-2206 2HCl

>  <Synonyms> (16)
N/A

>  <Target> (16)
Akt,Apoptosis related,Autophagy

>  <Form> (16)
Dihydrochloride

>  <CAS> (16)
1032350-13-2

>  <URL> (16)
http://selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (17)
56

>  <Formula> (17)
C21H17NO3S2

>  <MolWeight> (17)
395.49458

>  <Cat> (17)
S1092

>  <Name> (17)
KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (17)
N/A

>  <Target> (17)
ATM/ATR,Autophagy,ULK

>  <Form> (17)
free base

>  <CAS> (17)
587871-26-9

>  <URL> (17)
http://selleckchem.com/products/KU-55933.html

$$$$
1.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (18)
61

>  <Formula> (18)
C25H15ClF2N4O2

>  <MolWeight> (18)
476.8620064

>  <Cat> (18)
S1100

>  <Name> (18)
MLN8054

>  <Synonyms> (18)
N/A

>  <Target> (18)
Aurora Kinase

>  <Form> (18)
free base

>  <CAS> (18)
869363-13-3

>  <URL> (18)
http://selleckchem.com/products/MLN8054.html

$$$$
zm447439.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (19)
63

>  <Formula> (19)
C29H31N5O4

>  <MolWeight> (19)
513.58754

>  <Cat> (19)
S1103

>  <Name> (19)
ZM 447439

>  <Synonyms> (19)
N/A

>  <Target> (19)
Aurora Kinase

>  <Form> (19)
free base

>  <CAS> (19)
331771-20-1

>  <URL> (19)
http://selleckchem.com/products/ZM-447439.html

$$$$
untitled.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (20)
66

>  <Formula> (20)
C19H17NO3

>  <MolWeight> (20)
307.34318

>  <Cat> (20)
S1105

>  <Name> (20)
LY294002

>  <Synonyms> (20)
SF 1101, NSC 697286

>  <Target> (20)
Apoptosis related,Autophagy,Casein Kinase,DNA-PK,PI3K

>  <Form> (20)
free base

>  <CAS> (20)
154447-36-6

>  <URL> (20)
http://selleckchem.com/products/LY294002.html

$$$$
untitled.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (21)
69

>  <Formula> (21)
C26H30N6O3

>  <MolWeight> (21)
474.5548

>  <Cat> (21)
S1107

>  <Name> (21)
Danusertib (PHA-739358)

>  <Synonyms> (21)
N/A

>  <Target> (21)
Apoptosis related,Aurora Kinase,Autophagy,Bcr-Abl,c-RET,FGFR,Trk receptor

>  <Form> (21)
free base

>  <CAS> (21)
827318-97-8

>  <URL> (21)
http://selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
Everolimus.cdx
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M  END
>  <Mol_ID> (22)
74

>  <Formula> (22)
C53H83NO14

>  <MolWeight> (22)
958.22442

>  <Cat> (22)
S1120

>  <Name> (22)
Everolimus (RAD001)

>  <Synonyms> (22)
RAD001,SDZ-RAD, Afinitor

>  <Target> (22)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (22)
free base

>  <CAS> (22)
159351-69-6

>  <URL> (22)
http://selleckchem.com/products/Everolimus(RAD001).html

$$$$
mln8237.cdx
csChFnd80/02262515262D

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 35 37  2  0  0  0  0
M  END
>  <Mol_ID> (23)
79

>  <Formula> (23)
C27H20ClFN4O4

>  <MolWeight> (23)
518.9235032

>  <Cat> (23)
S1133

>  <Name> (23)
Alisertib (MLN8237)

>  <Synonyms> (23)
N/A

>  <Target> (23)
Apoptosis related,Aurora Kinase,Autophagy

>  <Form> (23)
free base

>  <CAS> (23)
1028486-01-2

>  <URL> (23)
http://selleckchem.com/products/MLN8237.html

$$$$
AT9283.cdx
csChFnd80/02262515262D

 28 32  0  0  0  0  0  0  0  0999 V2000
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   12.9834    4.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (24)
81

>  <Formula> (24)
C19H23N7O2

>  <MolWeight> (24)
381.43162

>  <Cat> (24)
S1134

>  <Name> (24)
AT9283

>  <Synonyms> (24)
N/A

>  <Target> (24)
Aurora Kinase,Bcr-Abl,JAK

>  <Form> (24)
free base

>  <CAS> (24)
896466-04-9

>  <URL> (24)
http://selleckchem.com/products/AT9283.html

$$$$
untitled.cdx
csChFnd80/02262515262D

 42 43  0  0  0  0  0  0  0  0999 V2000
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 15 17  1  1  0  0  0
 13 19  1  6  0  0  0
 16 20  1  0  0  0  0
 16 21  1  6  0  0  0
 20 22  1  6  0  0  0
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 23 24  2  0  0  0  0
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 27 33  1  1  0  0  0
 32 35  2  0  0  0  0
 35 36  1  0  0  0  0
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 17 18  1  0  0  0  0
 28 29  1  0  0  0  0
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 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (25)
83

>  <Formula> (25)
C31H43N3O8

>  <MolWeight> (25)
585.68842

>  <Cat> (25)
S1141

>  <Name> (25)
Tanespimycin (17-AAG)

>  <Synonyms> (25)
CP127374, NSC-330507, KOS 953

>  <Target> (25)
Apoptosis related,Autophagy,HSP (HSP90),Mitophagy

>  <Form> (25)
free base

>  <CAS> (25)
75747-14-7

>  <URL> (25)
http://selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$
17-DMAG.cdx
csChFnd80/02262515262D

 45 45  0  0  0  0  0  0  0  0999 V2000
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   10.0124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0124   11.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (26)
85

>  <Formula> (26)
C32H49ClN4O8

>  <MolWeight> (26)
653.20646

>  <Cat> (26)
S1142

>  <Name> (26)
Alvespimycin (17-DMAG) HCl

>  <Synonyms> (26)
NSC 707545,BMS 826476 HCl,KOS 1022

>  <Target> (26)
HSP (HSP90)

>  <Form> (26)
Hydrochloride

>  <CAS> (26)
467214-21-7

>  <URL> (26)
http://selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

$$$$
Docetaxel.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (27)
90

>  <Formula> (27)
C43H53NO14

>  <MolWeight> (27)
807.87922

>  <Cat> (27)
S1148

>  <Name> (27)
Docetaxel (RP56976)

>  <Synonyms> (27)
NSC 628503,RP56976

>  <Target> (27)
Microtubule Associated

>  <Form> (27)
Free Base

>  <CAS> (27)
114977-28-5

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

$$$$
Paclitaxel.cdx
csChFnd80/02262515262D

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91

>  <Formula> (28)
C47H51NO14

>  <MolWeight> (28)
853.90614

>  <Cat> (28)
S1150

>  <Name> (28)
Paclitaxel (NSC 125973)

>  <Synonyms> (28)
PTX, Taxol, Onxal, Abraxane,NSC 125973

>  <Target> (28)
ADC Cytotoxin,Antineoplastic and Immunosuppressive Antibiotics,Autophagy,Microtubule Associated

>  <Form> (28)
free base

>  <CAS> (28)
33069-62-4

>  <URL> (28)
http://selleckchem.com/products/Paclitaxel(Taxol).html

$$$$
abt-751.cdx
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>  <Mol_ID> (29)
96

>  <Formula> (29)
C18H17N3O4S

>  <MolWeight> (29)
371.41028

>  <Cat> (29)
S1165

>  <Name> (29)
ABT-751 (E7010)

>  <Synonyms> (29)
N/A

>  <Target> (29)
Microtubule Associated

>  <Form> (29)
free base

>  <CAS> (29)
141430-65-1

>  <URL> (29)
http://selleckchem.com/products/ABT-751.html

$$$$
TGX-221.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (30)
98

>  <Formula> (30)
C21H24N4O2

>  <MolWeight> (30)
364.44086

>  <Cat> (30)
S1169

>  <Name> (30)
TGX-221

>  <Synonyms> (30)
N/A

>  <Target> (30)
PI3K

>  <Form> (30)
free base

>  <CAS> (30)
663619-89-4

>  <URL> (30)
http://selleckchem.com/products/TGX-221.html

$$$$
BIIB021 (CNF2024).cdx
csChFnd80/02262515262D

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>  <Mol_ID> (31)
103

>  <Formula> (31)
C14H15ClN6O

>  <MolWeight> (31)
318.7615

>  <Cat> (31)
S1175

>  <Name> (31)
BIIB021

>  <Synonyms> (31)
CNF2024

>  <Target> (31)
HSP (HSP90)

>  <Form> (31)
free base

>  <CAS> (31)
848695-25-0

>  <URL> (31)
http://selleckchem.com/products/BIIB021.html

$$$$
NPI2358.cdx
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>  <Mol_ID> (32)
104

>  <Formula> (32)
C19H20N4O2

>  <MolWeight> (32)
336.3877

>  <Cat> (32)
S1176

>  <Name> (32)
Plinabulin (NPI-2358)

>  <Synonyms> (32)
N/A

>  <Target> (32)
Microtubule Associated,VDA

>  <Form> (32)
free base

>  <CAS> (32)
714272-27-2

>  <URL> (32)
http://selleckchem.com/products/NPI-2358.html

$$$$
XAV-939.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (33)
108

>  <Formula> (33)
C14H11F3N2OS

>  <MolWeight> (33)
312.3101496

>  <Cat> (33)
S1180

>  <Name> (33)
XAV-939

>  <Synonyms> (33)
NVP-XAV939

>  <Target> (33)
PARP,Wnt/beta-catenin

>  <Form> (33)
free base

>  <CAS> (33)
284028-89-3

>  <URL> (33)
http://selleckchem.com/products/XAV-939.html

$$$$
ENMD-2076.cdx
csChFnd80/02262515262D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (34)
109

>  <Formula> (34)
C21H25N7

>  <MolWeight> (34)
375.4701

>  <Cat> (34)
S1181

>  <Name> (34)
ENMD-2076

>  <Synonyms> (34)
N/A

>  <Target> (34)
Apoptosis related,Aurora Kinase,CSF-1R,FGFR,FLT3,PDGFR,Src,VEGFR

>  <Form> (34)
Tartaric Acid

>  <CAS> (34)
934353-76-1

>  <URL> (34)
http://selleckchem.com/products/enmd-2076.html

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (35)
124

>  <Formula> (35)
C27H30ClNO11

>  <MolWeight> (35)
579.9802

>  <Cat> (35)
S1208

>  <Name> (35)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (35)
NSC 123127, DOX, Doxorubicin hydrochloride, Hydroxydaunorubicin HCl,Adriamycin HCl

>  <Target> (35)
ADC Cytotoxin,AMPK,Antibiotics,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,HIV,Mitophagy,Topoisomerase

>  <Form> (35)
Hydrochloride

>  <CAS> (35)
25316-40-9

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

$$$$
KU-0063794.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (36)
134

>  <Formula> (36)
C25H31N5O4

>  <MolWeight> (36)
465.54474

>  <Cat> (36)
S1226

>  <Name> (36)
KU-0063794

>  <Synonyms> (36)
N/A

>  <Target> (36)
mTOR

>  <Form> (36)
free base

>  <CAS> (36)
938440-64-3

>  <URL> (36)
http://selleckchem.com/products/KU-0063794.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/02262515262D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 18 19  1  0  0  0  0
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M  END
>  <Mol_ID> (37)
138

>  <Formula> (37)
C19H26O3

>  <MolWeight> (37)
302.40794

>  <Cat> (37)
S1233

>  <Name> (37)
2-Methoxyestradiol (2-MeOE2)

>  <Synonyms> (37)
NSC 659853, 2-ME2

>  <Target> (37)
Apoptosis related,Autophagy,HIF,Microtubule Associated

>  <Form> (37)
free base

>  <CAS> (37)
362-07-2

>  <URL> (37)
http://selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
JNJ-7706621.cdx
csChFnd80/02262515262D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.0927    4.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    3.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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M  END
>  <Mol_ID> (38)
144

>  <Formula> (38)
C15H12F2N6O3S

>  <MolWeight> (38)
394.3559864

>  <Cat> (38)
S1249

>  <Name> (38)
JNJ-7706621

>  <Synonyms> (38)
N/A

>  <Target> (38)
Aurora Kinase,CDK

>  <Form> (38)
free base

>  <CAS> (38)
443797-96-4

>  <URL> (38)
http://selleckchem.com/products/JNJ-7706621.html

$$$$
WYE-354.cdx
csChFnd80/02262515262D

 36 40  0  0  0  0  0  0  0  0999 V2000
    4.8329    6.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (39)
156

>  <Formula> (39)
C24H29N7O5

>  <MolWeight> (39)
495.53096

>  <Cat> (39)
S1266

>  <Name> (39)
WYE-354

>  <Synonyms> (39)
N/A

>  <Target> (39)
mTOR

>  <Form> (39)
free base

>  <CAS> (39)
1062169-56-5

>  <URL> (39)
http://selleckchem.com/products/WYE-354.html

$$$$
Epothilone A.cdx
csChFnd80/02262515262D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (40)
202

>  <Formula> (40)
C26H39NO6S

>  <MolWeight> (40)
493.65596

>  <Cat> (40)
S1297

>  <Name> (40)
Epothilone A

>  <Synonyms> (40)
N/A

>  <Target> (40)
Microtubule Associated

>  <Form> (40)
free base

>  <CAS> (40)
152044-53-6

>  <URL> (40)
http://selleckchem.com/products/Epothilone-A.html

$$$$
TG100-115.cdx
csChFnd80/02262515262D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (41)
223

>  <Formula> (41)
C18H14N6O2

>  <MolWeight> (41)
346.34276

>  <Cat> (41)
S1352

>  <Name> (41)
TG100-115

>  <Synonyms> (41)
N/A

>  <Target> (41)
PI3K

>  <Form> (41)
free base

>  <CAS> (41)
677297-51-7

>  <URL> (41)
http://selleckchem.com/products/TG100-115.html

$$$$
ON-01910.cdx
csChFnd80/02262515262D

 32 32  0  0  0  0  0  0  0  0999 V2000
    6.0664    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    7.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    7.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    9.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831   10.5097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246    7.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4357   10.1007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2167    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  4  8  1  0  0  0  0
  2  9  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
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 16 19  1  0  0  0  0
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 22 25  1  0  0  0  0
 25 26  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> (42)
228

>  <Formula> (42)
C21H24NNaO8S

>  <MolWeight> (42)
473.47193

>  <Cat> (42)
S1362

>  <Name> (42)
Rigosertib (ON-01910)

>  <Synonyms> (42)
N/A

>  <Target> (42)
Akt,Apoptosis related,PI3K,PLK

>  <Form> (42)
Sodium Salt

>  <CAS> (42)
1225497-78-8

>  <URL> (42)
http://selleckchem.com/products/ON-01910.html

$$$$
EpothiloneB.cdx
csChFnd80/02262515262D

 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
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    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
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 10  5  1  0  0  0  0
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 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
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 25 21  2  0  0  0  0
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 14 27  2  0  0  0  0
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 15 31  2  0  0  0  0
 17 32  1  6  0  0  0
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  2 35  1  6  0  0  0
M  END
>  <Mol_ID> (43)
230

>  <Formula> (43)
C27H41NO6S

>  <MolWeight> (43)
507.68254

>  <Cat> (43)
S1364

>  <Name> (43)
Patupilone (Epothilone B)

>  <Synonyms> (43)
EPO906

>  <Target> (43)
Microtubule Associated

>  <Form> (43)
free base

>  <CAS> (43)
152044-54-7

>  <URL> (43)
http://selleckchem.com/products/Epothilone-B.html

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/02262515262D

 33 35  0  0  0  0  0  0  0  0999 V2000
   10.8798    4.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8798    3.5415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0922    2.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    3.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    4.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0922    5.6415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5129    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5129    2.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6716    5.6391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4633    4.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2551    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469    4.9415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    7.0391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    7.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    7.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    4.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056    7.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6592    1.4516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0286    1.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7286    2.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7919    3.4134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7253    4.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9378    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9378    7.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7253    7.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5129    7.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1161    2.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1460    7.7367    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    7.7367    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3633    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  3  0  0  0  0
  8 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  8  2  0  0  0  0
  7 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  7  1  0  0  0  0
 23 30  1  0  0  0  0
 27 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (44)
231

>  <Formula> (44)
C22H19Cl3N8

>  <MolWeight> (44)
501.79886

>  <Cat> (44)
S2924

>  <Name> (44)
Laduviglusib (CHIR-99021) HCl

>  <Synonyms> (44)
CT99021 HCl

>  <Target> (44)
Autophagy,GSK-3,Wnt/beta-catenin

>  <Form> (44)
Hydrochloride

>  <CAS> (44)
1797989-42-4

>  <URL> (44)
http://selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/02262515262D

 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> (45)
274

>  <Formula> (45)
C31H31ClFN7O2

>  <MolWeight> (45)
588.0749432

>  <Cat> (45)
S1451

>  <Name> (45)
Aurora A Inhibitor I (TC-S 7010)

>  <Synonyms> (45)
N/A

>  <Target> (45)
Apoptosis related,Aurora Kinase

>  <Form> (45)
free base

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

>  <URL> (45)
http://selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/02262515262D

 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
    4.8455   11.8757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    9.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2662    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6827    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  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 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  9 14  2  0  0  0  0
 10 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 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> (46)
275

>  <Formula> (46)
C30H33ClN4O2

>  <MolWeight> (46)
517.06162

>  <Cat> (46)
S1452

>  <Name> (46)
Ispinesib (SB-715992)

>  <Synonyms> (46)
CK0238273

>  <Target> (46)
Apoptosis related,Kinesin

>  <Form> (46)
free base

>  <CAS> (46)
336113-53-2

>  <URL> (46)
http://selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

$$$$
PHA-6806320.cdx
csChFnd80/02262515262D

 37 41  0  0  0  0  0  0  0  0999 V2000
    5.5914   10.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2892    9.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6849    9.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3828   10.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6849   11.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2892   11.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1957   10.5432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5297   11.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1297   11.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3957   10.5432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1297    9.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5297    9.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7784   10.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4763   11.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4763    9.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8720    9.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6952    8.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0272    8.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0272   10.0348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6952   10.4676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6952    6.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0272    6.3681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8066    4.6795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4716    4.0538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8328    2.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8425    1.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2050    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5481    0.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1857    2.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4944    2.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1726    3.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5207    2.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5075    1.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 29 34  1  0  0  0  0
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 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (47)
277

>  <Formula> (47)
C28H35N7O2

>  <MolWeight> (47)
501.6232

>  <Cat> (47)
S1454

>  <Name> (47)
PHA-680632

>  <Synonyms> (47)
N/A

>  <Target> (47)
Aurora Kinase

>  <Form> (47)
free base

>  <CAS> (47)
398493-79-3

>  <URL> (47)
http://selleckchem.com/products/PHA-680632.html

$$$$
Thiazovivin.cdx
csChFnd80/02262515262D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    2.5579    2.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    2.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    0.7685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6034    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1226056-71-8

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

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GSK429286A

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RHO-15

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ROCK

>  <Form> (49)
free base

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864082-47-3

>  <URL> (49)
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301

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PIK-93

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N/A

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PI4K

>  <Form> (50)
free base

>  <CAS> (50)
593960-11-3

>  <URL> (50)
http://selleckchem.com/products/PIK-93.html

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Ponatinib (AP24534)

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AP24534

>  <Target> (51)
Autophagy,Bcr-Abl,FGFR,PDGFR,Src,VEGFR

>  <Form> (51)
free base

>  <CAS> (51)
943319-70-8

>  <URL> (51)
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311

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C24H22O6

>  <MolWeight> (52)
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>  <Cat> (52)
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Palomid 529 (P529)

>  <Synonyms> (52)
SG 00529

>  <Target> (52)
mTOR

>  <Form> (52)
free base

>  <CAS> (52)
914913-88-5

>  <URL> (52)
http://selleckchem.com/products/Palomid-529-P529.html

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312

>  <Formula> (53)
C31H29N5O6S

>  <MolWeight> (53)
599.65686

>  <Cat> (53)
S1523

>  <Name> (53)
Voxtalisib (XL765) Analogue

>  <Synonyms> (53)
SAR245409

>  <Target> (53)
mTOR,PI3K

>  <Form> (53)
free base

>  <CAS> (53)
1349796-36-6

>  <URL> (53)
http://selleckchem.com/products/XL765(SAR245409).html

$$$$
AZD 8055.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (54)
333

>  <Formula> (54)
C25H31N5O4

>  <MolWeight> (54)
465.54474

>  <Cat> (54)
S1555

>  <Name> (54)
AZD8055

>  <Synonyms> (54)
N/A

>  <Target> (54)
Apoptosis related,Autophagy,mTOR

>  <Form> (54)
free base

>  <CAS> (54)
1009298-09-2

>  <URL> (54)
http://selleckchem.com/products/AZD8055.html

$$$$
PHT-427.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (55)
335

>  <Formula> (55)
C20H31N3O2S2

>  <MolWeight> (55)
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>  <Cat> (55)
S1556

>  <Name> (55)
PHT-427

>  <Synonyms> (55)
CS-0223

>  <Target> (55)
Akt,PDPK1

>  <Form> (55)
free base

>  <CAS> (55)
1191951-57-1

>  <URL> (55)
http://selleckchem.com/products/PHT-427.html

$$$$
AT7867.cdx
csChFnd80/02262515262D

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  4  7  1  0  0  0  0
  7  8  1  0  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  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
  8 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  8  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
>  <Mol_ID> (56)
338

>  <Formula> (56)
C20H20ClN3

>  <MolWeight> (56)
337.8459

>  <Cat> (56)
S1558

>  <Name> (56)
AT7867

>  <Synonyms> (56)
N/A

>  <Target> (56)
Akt,S6 Kinase

>  <Form> (56)
free base

>  <CAS> (56)
857531-00-1

>  <URL> (56)
http://selleckchem.com/products/AT7867.html

$$$$
KU-60019.cdx
csChFnd80/02262515262D

 39 44  0  0  0  0  0  0  0  0999 V2000
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9488    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7364    0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1571    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  6  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
 11 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 20  1  0  0  0  0
 20 15  1  0  0  0  0
 17 21  2  0  0  0  0
  2 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
 23 26  2  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
 25 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 25  1  0  0  0  0
 36 38  1  1  0  0  0
 34 39  1  1  0  0  0
M  END
>  <Mol_ID> (57)
344

>  <Formula> (57)
C30H33N3O5S

>  <MolWeight> (57)
547.66512

>  <Cat> (57)
S1570

>  <Name> (57)
KU-60019

>  <Synonyms> (57)
N/A

>  <Target> (57)
ATM/ATR

>  <Form> (57)
free base

>  <CAS> (57)
925701-49-1

>  <URL> (57)
http://selleckchem.com/products/KU-60019.html

$$$$
Fasudil HCl.cdx
csChFnd80/02262515262D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9108    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5431    5.1190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1480    2.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    1.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5171    1.2490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1248    2.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5171    3.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    4.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (58)
346

>  <Formula> (58)
C14H18ClN3O2S

>  <MolWeight> (58)
327.82962

>  <Cat> (58)
S1573

>  <Name> (58)
Fasudil (HA-1077) HCl

>  <Synonyms> (58)
AT-877,HA-1077 HCl

>  <Target> (58)
Autophagy,Calcium Channel,MLCK,PKA,PKC,PKG,Rho,ROCK

>  <Form> (58)
Hydrochloride

>  <CAS> (58)
105628-07-7

>  <URL> (58)
http://selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
ALBENZA (albendazole).cdx
csChFnd80/02262515262D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8329    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5049    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5976    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 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
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (59)
377

>  <Formula> (59)
C12H15N3O2S

>  <MolWeight> (59)
265.3314

>  <Cat> (59)
S1640

>  <Name> (59)
Albendazole (SKF-62979)

>  <Synonyms> (59)
SKF-62979

>  <Target> (59)
ADC Cytotoxin,Microtubule Associated

>  <Form> (59)
free base

>  <CAS> (59)
54965-21-8

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

$$$$
Artemisinin.cdx
csChFnd80/02262515262D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.3912    4.5588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0912    3.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756    3.1377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5019    4.0900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    5.4860    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2405    6.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9027    5.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7632    3.4825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9200    4.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8153    5.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540    6.2747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    6.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4497    7.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    1.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1249    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1512    2.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9757    2.7825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3636    1.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4354    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6037    5.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9560    4.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4857    2.1478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
  5 12  1  6  0  0  0
 11 13  1  6  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  8  1  0  0  0  0
  8 17  1  6  0  0  0
 16 18  1  1  0  0  0
 15 19  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  6  0  0  0
 21 22  1  0  0  0  0
  4 22  1  6  0  0  0
  3 23  1  1  0  0  0
M  END
>  <Mol_ID> (60)
383

>  <Formula> (60)
C15H22O5

>  <MolWeight> (60)
282.33218

>  <Cat> (60)
S1282

>  <Name> (60)
Artemisinin

>  <Synonyms> (60)
Qinghaosu,Artemisinine,Coartem,NSC 369397

>  <Target> (60)
ADC Cytotoxin,Anti-infection

>  <Form> (60)
free base

>  <CAS> (60)
63968-64-9

>  <URL> (60)
http://selleckchem.com/products/Artemisinin.html

$$$$
APRISO (mesalamine).cdx
csChFnd80/02262515262D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (61)
402

>  <Formula> (61)
C7H7NO3

>  <MolWeight> (61)
153.13538

>  <Cat> (61)
S1681

>  <Name> (61)
Mesalamine (5-ASA)

>  <Synonyms> (61)
5-Aminosalicylic acid, 5-ASA, Mesalazine, Apriso, Asacol, Pentasa, Canasa

>  <Target> (61)
Immunology & Inflammation related,I¦ÊB/IKK

>  <Form> (61)
free base

>  <CAS> (61)
89-57-6

>  <URL> (61)
http://selleckchem.com/products/Mesalamine(Lialda).html

$$$$
DCC-2036.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (62)
419

>  <Formula> (62)
C30H28FN7O3

>  <MolWeight> (62)
553.5868232

>  <Cat> (62)
S2634

>  <Name> (62)
Rebastinib (DCC-2036)

>  <Synonyms> (62)
N/A

>  <Target> (62)
Bcr-Abl

>  <Form> (62)
free base

>  <CAS> (62)
1020172-07-9

>  <URL> (62)
http://selleckchem.com/products/dcc-2036.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (63)
478

>  <Formula> (63)
C4H12ClN5

>  <MolWeight> (63)
165.62458

>  <Cat> (63)
S1950

>  <Name> (63)
Metformin HCl

>  <Synonyms> (63)
1,1-Dimethylbiguanide HCl

>  <Target> (63)
Autophagy,Carbohydrate Metabolism,JNK,Mitophagy,p38 MAPK

>  <Form> (63)
Hydrochloride

>  <CAS> (63)
1115-70-4

>  <URL> (63)
http://selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (64)
484

>  <Formula> (64)
C32H37NO8

>  <MolWeight> (64)
563.63808

>  <Cat> (64)
S1972

>  <Name> (64)
Tamoxifen (ICI 46474) Citrate

>  <Synonyms> (64)
Istubal,ICI 46474 Citrate

>  <Target> (64)
Apoptosis related,Autophagy,Estrogen/progestogen Receptor,HSP (HSP90)

>  <Form> (64)
Citrate

>  <CAS> (64)
54965-24-1

>  <URL> (64)
http://selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

$$$$
AT13387.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (65)
539

>  <Formula> (65)
C24H31N3O3

>  <MolWeight> (65)
409.52124

>  <Cat> (65)
S1163

>  <Name> (65)
Onalespib (AT13387)

>  <Synonyms> (65)
N/A

>  <Target> (65)
HSP (HSP90)

>  <Form> (65)
free base

>  <CAS> (65)
912999-49-6

>  <URL> (65)
http://selleckchem.com/products/at13387.html

$$$$
CHIR-98014.cdx
csChFnd80/02262515262D

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  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
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 32 33  2  0  0  0  0
 33 29  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (66)
541

>  <Formula> (66)
C20H17Cl2N9O2

>  <MolWeight> (66)
486.31408

>  <Cat> (66)
S2745

>  <Name> (66)
CHIR-98014

>  <Synonyms> (66)
CT98014

>  <Target> (66)
GSK-3

>  <Form> (66)
free base

>  <CAS> (66)
252935-94-7

>  <URL> (66)
http://selleckchem.com/products/chir-98014.html

$$$$
Ganetespib(STA-9090).cdx
csChFnd80/02262515262D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    0.8229    1.4559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5229    3.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  2  0  0  0  0
  3  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  1  0  0  0  0
 11 12  2  0  0  0  0
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 14 15  1  0  0  0  0
  7 15  1  0  0  0  0
 10 15  2  0  0  0  0
  7 16  1  0  0  0  0
  4 12  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
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 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 21 23  1  0  0  0  0
 20 26  1  0  0  0  0
 18 27  1  0  0  0  0
  5 17  1  0  0  0  0
M  END
>  <Mol_ID> (67)
542

>  <Formula> (67)
C20H20N4O3

>  <MolWeight> (67)
364.3978

>  <Cat> (67)
S1159

>  <Name> (67)
Ganetespib (STA-9090)

>  <Synonyms> (67)
N/A

>  <Target> (67)
Apoptosis related,HSP (HSP90)

>  <Form> (67)
free base

>  <CAS> (67)
888216-25-9

>  <URL> (67)
http://selleckchem.com/products/ganetespib-sta-9090.html

$$$$

csChFnd80/02262515262D

 47 51  0  0  0  0  0  0  0  0999 V2000
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    7.2596   13.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (68)
546

>  <Formula> (68)
C32H29F3N6O6

>  <MolWeight> (68)
650.6044696

>  <Cat> (68)
S2749

>  <Name> (68)
BGT226 (NVP-BGT226) maleate

>  <Synonyms> (68)
N/A

>  <Target> (68)
mTOR,PI3K

>  <Form> (68)
maleate

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

>  <URL> (68)
http://selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/02262515262D

 35 40  0  0  0  0  0  0  0  0999 V2000
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N/A

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Autophagy,PI3K,PIKfyve

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free base

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

>  <URL> (69)
http://selleckchem.com/products/ym201636.html

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C30H42N2O9

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S2685

>  <Name> (70)
KW-2478

>  <Synonyms> (70)
N/A

>  <Target> (70)
HSP (HSP90)

>  <Form> (70)
free base

>  <CAS> (70)
819812-04-9

>  <URL> (70)
http://selleckchem.com/products/kw-2478.html

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554

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591.46771

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S1274

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BX-795

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N/A

>  <Target> (71)
Autophagy,I¦ÊB/IKK,PDPK1,TBK1

>  <Form> (71)
free base

>  <CAS> (71)
702675-74-9

>  <URL> (71)
http://selleckchem.com/products/bx-795.html

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>  <Mol_ID> (72)
555

>  <Formula> (72)
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>  <MolWeight> (72)
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BX-912

>  <Synonyms> (72)
N/A

>  <Target> (72)
PDK

>  <Form> (72)
free base

>  <CAS> (72)
702674-56-4

>  <URL> (72)
http://selleckchem.com/products/bx-912.html

$$$$
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M  END
>  <Mol_ID> (73)
563

>  <Formula> (73)
C23H24N8O4S

>  <MolWeight> (73)
508.55286

>  <Cat> (73)
S2759

>  <Name> (73)
Fimepinostat (CUDC-907)

>  <Synonyms> (73)
N/A

>  <Target> (73)
Apoptosis related,HDAC,PI3K

>  <Form> (73)
free base

>  <CAS> (73)
1339928-25-4

>  <URL> (73)
http://selleckchem.com/products/pi3k-hdac-inhibitor-i.html

$$$$
Nocodazole.cdx
csChFnd80/02262515262D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (74)
570

>  <Formula> (74)
C14H11N3O3S

>  <MolWeight> (74)
301.32044

>  <Cat> (74)
S2775

>  <Name> (74)
Nocodazole (R17934)

>  <Synonyms> (74)
Oncodazole, NSC238159

>  <Target> (74)
Apoptosis related,Autophagy,Bcr-Abl,CRISPR/Cas9,Microtubule Associated

>  <Form> (74)
free base

>  <CAS> (74)
31430-18-9

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

$$$$
AZD2014.cdx
csChFnd80/02262515262D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (75)
576

>  <Formula> (75)
C25H30N6O3

>  <MolWeight> (75)
462.5441

>  <Cat> (75)
S2783

>  <Name> (75)
Vistusertib (AZD2014)

>  <Synonyms> (75)
N/A

>  <Target> (75)
Apoptosis related,Autophagy,mTOR

>  <Form> (75)
free base

>  <CAS> (75)
1009298-59-2

>  <URL> (75)
http://selleckchem.com/products/azd2014.html

$$$$
Cabazitaxel.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (76)
586

>  <Formula> (76)
C45H57NO14

>  <MolWeight> (76)
835.93238

>  <Cat> (76)
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>  <Name> (76)
Cabazitaxel (XRP6258)

>  <Synonyms> (76)
RPR-116258A, TXD 258, Taxoid XRP6258

>  <Target> (76)
Autophagy,Microtubule Associated

>  <Form> (76)
free base

>  <CAS> (76)
183133-96-2

>  <URL> (76)
http://selleckchem.com/products/cabazitaxel-jevtana.html

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (77)
591

>  <Formula> (77)
C25H22N6O2

>  <MolWeight> (77)
438.48118

>  <Cat> (77)
S2791

>  <Name> (77)
Sotrastaurin (AEB071)

>  <Synonyms> (77)
AEB071

>  <Target> (77)
PKC

>  <Form> (77)
free base

>  <CAS> (77)
425637-18-9

>  <URL> (77)
http://selleckchem.com/products/sotrastaurin-aeb071.html

$$$$
GDC-0068.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (78)
602

>  <Formula> (78)
C24H32ClN5O2

>  <MolWeight> (78)
457.99618

>  <Cat> (78)
S2808

>  <Name> (78)
Ipatasertib (GDC-0068)

>  <Synonyms> (78)
RG7440

>  <Target> (78)
Akt

>  <Form> (78)
free base

>  <CAS> (78)
1001264-89-6

>  <URL> (78)
http://selleckchem.com/products/gdc-0068.html

$$$$
Torin 2.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (79)
606

>  <Formula> (79)
C24H15F3N4O

>  <MolWeight> (79)
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>  <Cat> (79)
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>  <Name> (79)
Torin 2

>  <Synonyms> (79)
N/A

>  <Target> (79)
Apoptosis related,ATM/ATR,Autophagy,DNA-PK,mTOR

>  <Form> (79)
free base

>  <CAS> (79)
1223001-51-1

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

$$$$
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csChFnd80/02262515262D

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    1.7249    6.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    5.7651    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.3403    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8527    0.0000 F   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  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
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  6  8  1  0  0  0  0
  1  6  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  2  9  1  6  0  0  0
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  8 13  1  0  0  0  0
M  END
>  <Mol_ID> (80)
607

>  <Formula> (80)
C19H22F3N5O2S

>  <MolWeight> (80)
441.4704896

>  <Cat> (80)
S2814

>  <Name> (80)
Alpelisib (BYL719)

>  <Synonyms> (80)
N/A

>  <Target> (80)
PI3K

>  <Form> (80)
free base

>  <CAS> (80)
1217486-61-7

>  <URL> (80)
http://selleckchem.com/products/byl719.html

$$$$
NVP-TAE226.cdx
csChFnd80/02262515262D

 33 36  0  0  0  0  0  0  0  0999 V2000
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9446    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
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 23 18  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
  1 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
M  END
>  <Mol_ID> (81)
613

>  <Formula> (81)
C23H25ClN6O3

>  <MolWeight> (81)
468.936

>  <Cat> (81)
S2820

>  <Name> (81)
TAE226 (NVP-TAE226)

>  <Synonyms> (81)
N/A

>  <Target> (81)
Apoptosis related,FAK,Pyk2

>  <Form> (81)
free base

>  <CAS> (81)
761437-28-9

>  <URL> (81)
http://selleckchem.com/products/nvp-tae226.html

$$$$
Quercetin.cdx
csChFnd80/02262515262D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
  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> (82)
614

>  <Formula> (82)
C15H10O7

>  <MolWeight> (82)
302.2357

>  <Cat> (82)
S2391

>  <Name> (82)
Quercetin (NSC 9221)

>  <Synonyms> (82)
Sophoretin, C.I. 75720

>  <Target> (82)
Apoptosis related,Autophagy,Mitophagy,PI3K,PKC,Sirtuin,Src

>  <Form> (82)
Free Base

>  <CAS> (82)
117-39-5

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

$$$$
Salidroside.cdx
csChFnd80/02262515262D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    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
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    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  3  8  1  1  0  0  0
  5  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  2 19  1  6  0  0  0
  4 20  1  6  0  0  0
  7 21  1  0  0  0  0
M  END
>  <Mol_ID> (83)
618

>  <Formula> (83)
C14H20O7

>  <MolWeight> (83)
300.3044

>  <Cat> (83)
S2396

>  <Name> (83)
Salidroside

>  <Synonyms> (83)
Rhodioloside

>  <Target> (83)
Mitophagy,mTOR,PREP

>  <Form> (83)
free base

>  <CAS> (83)
10338-51-9

>  <URL> (83)
http://selleckchem.com/products/Salidroside-Rhodioloside.html

$$$$
KW2449.cdx
csChFnd80/02262515262D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4653    4.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    5.6843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    5.5380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    4.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7635    5.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1281    4.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5607    3.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9301    3.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4343    5.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2316    3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1585    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5279    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  7 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
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
M  END
>  <Mol_ID> (84)
643

>  <Formula> (84)
C20H20N4O

>  <MolWeight> (84)
332.399

>  <Cat> (84)
S2158

>  <Name> (84)
KW-2449

>  <Synonyms> (84)
N/A

>  <Target> (84)
Aurora Kinase,Bcr-Abl,FLT3

>  <Form> (84)
free base

>  <CAS> (84)
1000669-72-6

>  <URL> (84)
http://selleckchem.com/products/KW-2449.html

$$$$
Daphnetin.cdx
csChFnd80/02262515262D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (85)
647

>  <Formula> (85)
C9H6O4

>  <MolWeight> (85)
178.14154

>  <Cat> (85)
S2554

>  <Name> (85)
Daphnetin

>  <Synonyms> (85)
N/A

>  <Target> (85)
EGFR,PKA,PKC

>  <Form> (85)
free base

>  <CAS> (85)
486-35-1

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

$$$$
SB743921.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (86)
656

>  <Formula> (86)
C31H34Cl2N2O3

>  <MolWeight> (86)
553.51926

>  <Cat> (86)
S2182

>  <Name> (86)
SB743921 HCl

>  <Synonyms> (86)
N/A

>  <Target> (86)
Kinesin

>  <Form> (86)
Hydrochloride

>  <CAS> (86)
940929-33-9

>  <URL> (86)
http://selleckchem.com/products/SB-743921.html

$$$$
CYT997.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (87)
663

>  <Formula> (87)
C24H30N6O2

>  <MolWeight> (87)
434.534

>  <Cat> (87)
S2195

>  <Name> (87)
Lexibulin (CYT997)

>  <Synonyms> (87)
SRI-32007

>  <Target> (87)
Microtubule Associated

>  <Form> (87)
free base

>  <CAS> (87)
917111-44-5

>  <URL> (87)
http://selleckchem.com/products/CYT997.html

$$$$
NVP-BHG712.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (88)
666

>  <Formula> (88)
C26H20F3N7O

>  <MolWeight> (88)
503.4785096

>  <Cat> (88)
S2202

>  <Name> (88)
NVP-BHG712

>  <Synonyms> (88)
N/A

>  <Target> (88)
Bcr-Abl,Ephrin receptor,Raf,Src

>  <Form> (88)
free base

>  <CAS> (88)
940310-85-0

>  <URL> (88)
http://selleckchem.com/products/NVP-BHG712.html

$$$$
PIK 293.cdx
csChFnd80/02262515262D

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    2.2264    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    7.1180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    7.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    9.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    9.1988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    6.8270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2332   10.8168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
  3 12  2  0  0  0  0
  2 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
 14 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 25  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (89)
668

>  <Formula> (89)
C22H19N7O

>  <MolWeight> (89)
397.43256

>  <Cat> (89)
S2207

>  <Name> (89)
PIK-293

>  <Synonyms> (89)
N/A

>  <Target> (89)
PI3K

>  <Form> (89)
free base

>  <CAS> (89)
900185-01-5

>  <URL> (89)
http://selleckchem.com/products/PIK-293.html

$$$$
PP442.cdx
csChFnd80/02262515262D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.3636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    4.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    5.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    6.3884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    7.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    8.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    7.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594    8.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2683   10.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368   10.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    9.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6467   11.8918    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  5  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (90)
674

>  <Formula> (90)
C16H16N6O

>  <MolWeight> (90)
308.33784

>  <Cat> (90)
S2218

>  <Name> (90)
Torkinib (PP242)

>  <Synonyms> (90)
N/A

>  <Target> (90)
Apoptosis related,Autophagy,Mitophagy,mTOR

>  <Form> (90)
free base

>  <CAS> (90)
1092351-67-1

>  <URL> (90)
http://selleckchem.com/products/PP242.html

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/02262515262D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6953    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    7.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662    8.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7739    8.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6214    0.0802    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (91)
694

>  <Formula> (91)
C20H18ClNO4

>  <MolWeight> (91)
371.81422

>  <Cat> (91)
S2271

>  <Name> (91)
Berberine chloride (NSC 646666)

>  <Synonyms> (91)
Natural Yellow 18 chloride

>  <Target> (91)
Anti-infection,Apoptosis related,Autophagy,Bcl-2,Caspase,IAP,JNK,p38 MAPK,P450 (e.g. CYP17),PARP,ROS,Topoisomerase

>  <Form> (91)
chloride

>  <CAS> (91)
633-65-8

>  <URL> (91)
http://selleckchem.com/products/Berberine-Hydrochloride.html

$$$$
Honokiol.cdx
csChFnd80/02262515262D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (92)
719

>  <Formula> (92)
C18H18O2

>  <MolWeight> (92)
266.33432

>  <Cat> (92)
S2310

>  <Name> (92)
Honokiol (NSC 293100)

>  <Synonyms> (92)
N/A

>  <Target> (92)
Akt,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,HCV,MEK

>  <Form> (92)
free base

>  <CAS> (92)
35354-74-6

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

$$$$
Myricitrin.cdx
csChFnd80/02262515262D

 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
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   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
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    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> (93)
732

>  <Formula> (93)
C21H20O12

>  <MolWeight> (93)
464.3763

>  <Cat> (93)
S2327

>  <Name> (93)
Myricitrin

>  <Synonyms> (93)
Myricitrine

>  <Target> (93)
PKC

>  <Form> (93)
free base

>  <CAS> (93)
17912-87-7

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

$$$$
Oridonin.cdx
csChFnd80/02262515262D

 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> (94)
738

>  <Formula> (94)
C20H28O6

>  <MolWeight> (94)
364.43272

>  <Cat> (94)
S2335

>  <Name> (94)
Oridonin (NSC-250682)

>  <Synonyms> (94)
Isodonol, Rubescenin

>  <Target> (94)
Akt,Bacterial

>  <Form> (94)
free base

>  <CAS> (94)
28957-04-2

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/02262515262D

 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> (95)
748

>  <Formula> (95)
C15H14O9

>  <MolWeight> (95)
338.26626

>  <Cat> (95)
S2347

>  <Name> (95)
Quercetin Dihydrate

>  <Synonyms> (95)
Sophoretin

>  <Target> (95)
PI3K,Sirtuin

>  <Form> (95)
Dihydrate

>  <CAS> (95)
6151-25-3

>  <URL> (95)
http://selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/02262515262D

 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> (96)
753

>  <Formula> (96)
C15H12O8

>  <MolWeight> (96)
320.25098

>  <Cat> (96)
S2399

>  <Name> (96)
Dihydromyricetin

>  <Synonyms> (96)
Ampeloptin

>  <Target> (96)
GABA Receptor,ROS

>  <Form> (96)
free base

>  <CAS> (96)
27200-12-0

>  <URL> (96)
http://selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

$$$$
Sophocarpine.cdx
csChFnd80/02262515262D

 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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  2  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
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   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  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
  8 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  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  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (97)
756

>  <Formula> (97)
C15H22N2O

>  <MolWeight> (97)
246.34798

>  <Cat> (97)
S2405

>  <Name> (97)
Sophocarpine

>  <Synonyms> (97)
N/A

>  <Target> (97)
Potassium Channel

>  <Form> (97)
free base

>  <CAS> (97)
6483-15-4

>  <URL> (97)
http://selleckchem.com/products/Sophocarpine.html

$$$$
Imatinib.cdx
csChFnd80/02262515262D

 37 41  0  0  0  0  0  0  0  0999 V2000
    4.8371   10.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    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
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    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
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>  <Mol_ID> (98)
774

>  <Formula> (98)
C29H31N7O

>  <MolWeight> (98)
493.60274

>  <Cat> (98)
S2475

>  <Name> (98)
Imatinib (STI571)

>  <Synonyms> (98)
STI571,Gleevec, Glivec, CGP057148B

>  <Target> (98)
Autophagy,Bcr-Abl,c-Kit,PDGFR

>  <Form> (98)
free base

>  <CAS> (98)
152459-95-5

>  <URL> (98)
http://selleckchem.com/products/Imatinib(STI571).html

$$$$
TAK-901.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (99)
780

>  <Formula> (99)
C28H32N4O3S

>  <MolWeight> (99)
504.64368

>  <Cat> (99)
S2718

>  <Name> (99)
TAK-901

>  <Synonyms> (99)
N/A

>  <Target> (99)
Aurora Kinase

>  <Form> (99)
free base

>  <CAS> (99)
934541-31-8

>  <URL> (99)
http://selleckchem.com/products/tak-901.html

$$$$
AMG900.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (100)
783

>  <Formula> (100)
C28H21N7OS

>  <MolWeight> (100)
503.57764

>  <Cat> (100)
S2719

>  <Name> (100)
AMG-900

>  <Synonyms> (100)
N/A

>  <Target> (100)
Aurora Kinase

>  <Form> (100)
free base

>  <CAS> (100)
945595-80-2

>  <URL> (100)
http://selleckchem.com/products/amg-900.html

$$$$

csChFnd80/02262515262D

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>  <Mol_ID> (101)
786

>  <Formula> (101)
C22H30Cl2N4O6

>  <MolWeight> (101)
517.4028

>  <Cat> (101)
S2485

>  <Name> (101)
Mitoxantrone (NSC-301739)?2HCl

>  <Synonyms> (101)
NSC-301739 2HCl

>  <Target> (101)
Apoptosis related,COVID-19,PKC,Topoisomerase

>  <Form> (101)
Dihydrochloride

>  <CAS> (101)
70476-82-3

>  <URL> (101)
http://selleckchem.com/products/Mitoxantrone-Hydrochloride.html

$$$$
GSK2126458.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (102)
796

>  <Formula> (102)
C25H17F2N5O3S

>  <MolWeight> (102)
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>  <Cat> (102)
S2658

>  <Name> (102)
Omipalisib (GSK2126458)

>  <Synonyms> (102)
GSK458

>  <Target> (102)
Autophagy,mTOR,PI3K

>  <Form> (102)
free base

>  <CAS> (102)
1086062-66-9

>  <URL> (102)
http://selleckchem.com/products/gsk2126458.html

$$$$
fty720.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (103)
822

>  <Formula> (103)
C19H34ClNO2

>  <MolWeight> (103)
343.93176

>  <Cat> (103)
S5002

>  <Name> (103)
Fingolimod (FTY720) HCl

>  <Synonyms> (103)
Fingolimod Hydrochloride,FTY720

>  <Target> (103)
S1P Receptor

>  <Form> (103)
Hydrochloride

>  <CAS> (103)
162359-56-0

>  <URL> (103)
http://selleckchem.com/products/FTY720.html

$$$$
CAL-1011.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (104)
826

>  <Formula> (104)
C22H18FN7O

>  <MolWeight> (104)
415.4230232

>  <Cat> (104)
S2226

>  <Name> (104)
Idelalisib

>  <Synonyms> (104)
CAL-101, GS-1101

>  <Target> (104)
Autophagy,PI3K

>  <Form> (104)
free base

>  <CAS> (104)
870281-82-6

>  <URL> (104)
http://selleckchem.com/products/CAL-101.html

$$$$
PIK-294.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (105)
828

>  <Formula> (105)
C28H23N7O2

>  <MolWeight> (105)
489.52792

>  <Cat> (105)
S2227

>  <Name> (105)
PIK-294

>  <Synonyms> (105)
N/A

>  <Target> (105)
PI3K

>  <Form> (105)
free base

>  <CAS> (105)
900185-02-6

>  <URL> (105)
http://selleckchem.com/products/PIK-294.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/02262515262D

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 10 14  2  0  0  0  0
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M  END
>  <Mol_ID> (106)
834

>  <Formula> (106)
C10H16ClN5

>  <MolWeight> (106)
241.72054

>  <Cat> (106)
S2542

>  <Name> (106)
Phenformin (NSC-756501) HCl

>  <Synonyms> (106)
Phenethylbiguanide HCl

>  <Target> (106)
AMPK

>  <Form> (106)
Hydrochloride

>  <CAS> (106)
834-28-6

>  <URL> (106)
http://selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
CK-1827452.cdx
csChFnd80/02262515262D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (107)
837

>  <Formula> (107)
C20H24FN5O3

>  <MolWeight> (107)
401.4346632

>  <Cat> (107)
S2623

>  <Name> (107)
Omecamtiv mecarbil (CK-1827452)

>  <Synonyms> (107)
N/A

>  <Target> (107)
ATPase

>  <Form> (107)
free base

>  <CAS> (107)
873697-71-3

>  <URL> (107)
http://selleckchem.com/products/Omecamtiv-mecarbil-CK-1827452.html

$$$$
OSI-027.cdx
csChFnd80/02262515262D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.1861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7861    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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  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  1  0  0  0  0
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 12  7  1  1  0  0  0
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 13 14  1  0  0  0  0
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 20 15  1  0  0  0  0
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 28 29  2  0  0  0  0
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M  END
>  <Mol_ID> (108)
839

>  <Formula> (108)
C21H22N6O3

>  <MolWeight> (108)
406.43778

>  <Cat> (108)
S2624

>  <Name> (108)
OSI-027

>  <Synonyms> (108)
ASP4786, CERC 006, AEVI-006

>  <Target> (108)
Autophagy,mTOR

>  <Form> (108)
free base

>  <CAS> (108)
936890-98-1

>  <URL> (108)
http://selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/02262515262D

 24 28  0  0  0  0  0  0  0  0999 V2000
    7.1581    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
  1 11  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
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 20 24  1  0  0  0  0
M  END
>  <Mol_ID> (109)
840

>  <Formula> (109)
C17H17N7

>  <MolWeight> (109)
319.36378

>  <Cat> (109)
S2622

>  <Name> (109)
PP121

>  <Synonyms> (109)
N/A

>  <Target> (109)
Bcr-Abl,DNA-PK,mTOR,PDGFR,Src,VEGFR

>  <Form> (109)
free base

>  <CAS> (109)
1092788-83-4

>  <URL> (109)
http://selleckchem.com/products/PP121.html

$$$$
WP1130.cdx
csChFnd80/02262515262D

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  6  1  1  0  0  0  0
  1  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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 10 13  1  0  0  0  0
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 24 16  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (110)
842

>  <Formula> (110)
C19H18BrN3O

>  <MolWeight> (110)
384.26972

>  <Cat> (110)
S2243

>  <Name> (110)
Degrasyn (WP1130)

>  <Synonyms> (110)
N/A

>  <Target> (110)
Apoptosis related,Autophagy,Bcr-Abl,DUB

>  <Form> (110)
free base

>  <CAS> (110)
856243-80-6

>  <URL> (110)
http://selleckchem.com/products/WP1130.html

$$$$
BKM-120.cdx
csChFnd80/02262515262D

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    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (111)
849

>  <Formula> (111)
C18H21F3N6O2

>  <MolWeight> (111)
410.3935496

>  <Cat> (111)
S2247

>  <Name> (111)
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>  <Synonyms> (111)
NVP-BKM120

>  <Target> (111)
Apoptosis related,PI3K

>  <Form> (111)
free base

>  <CAS> (111)
944396-07-0

>  <URL> (111)
http://selleckchem.com/products/BKM-120.html

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>  <Mol_ID> (112)
856

>  <Formula> (112)
C18H20ClN5

>  <MolWeight> (112)
341.8379

>  <Cat> (112)
S2635

>  <Name> (112)
CCT128930

>  <Synonyms> (112)
N/A

>  <Target> (112)
Akt,Apoptosis related,Autophagy

>  <Form> (112)
free base

>  <CAS> (112)
885499-61-6

>  <URL> (112)
http://selleckchem.com/products/cct128930.html

$$$$
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csChFnd80/02262515262D

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>  <Mol_ID> (113)
859

>  <Formula> (113)
C17H23N5O2S2

>  <MolWeight> (113)
393.52682

>  <Cat> (113)
S2636

>  <Name> (113)
A66

>  <Synonyms> (113)
N/A

>  <Target> (113)
PI3K

>  <Form> (113)
free base

>  <CAS> (113)
1166227-08-2

>  <URL> (113)
http://selleckchem.com/products/a66.html

$$$$
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>  <Formula> (114)
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>  <MolWeight> (114)
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>  <Synonyms> (114)
N/A

>  <Target> (114)
Akt,CDK,PKA

>  <Form> (114)
free base

>  <CAS> (114)
552325-73-2

>  <URL> (114)
http://selleckchem.com/products/a-674563.html

$$$$
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>  <Mol_ID> (115)
863

>  <Formula> (115)
C14H8FNO4S

>  <MolWeight> (115)
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>  <Cat> (115)
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>  <Name> (115)
AS-252424

>  <Synonyms> (115)
N/A

>  <Target> (115)
PI3K

>  <Form> (115)
free base

>  <CAS> (115)
900515-16-4

>  <URL> (115)
http://selleckchem.com/products/as-252424.html

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939791-38-5

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>  <Mol_ID> (120)
875

>  <Formula> (120)
C23H27F3N4O3

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>  <Synonyms> (120)
N/A

>  <Target> (120)
HSP (HSP90)

>  <Form> (120)
free base

>  <CAS> (120)
908112-43-6

>  <URL> (120)
http://selleckchem.com/products/snx-2112.html

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>  <Mol_ID> (121)
876

>  <Formula> (121)
C28H30N8O

>  <MolWeight> (121)
494.5908

>  <Cat> (121)
S2689

>  <Name> (121)
WAY-600

>  <Synonyms> (121)
N/A

>  <Target> (121)
mTOR

>  <Form> (121)
free base

>  <CAS> (121)
1062159-35-6

>  <URL> (121)
http://selleckchem.com/products/way-600.html

$$$$
WYE125132.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (122)
877

>  <Formula> (122)
C27H33N7O4

>  <MolWeight> (122)
519.59542

>  <Cat> (122)
S2661

>  <Name> (122)
WYE-125132 (WYE-132)

>  <Synonyms> (122)
N/A

>  <Target> (122)
mTOR

>  <Form> (122)
free base

>  <CAS> (122)
1144068-46-1

>  <URL> (122)
http://selleckchem.com/products/wye-125132.html

$$$$
TWS119.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (123)
883

>  <Formula> (123)
C18H14N4O2

>  <MolWeight> (123)
318.32936

>  <Cat> (123)
S1590

>  <Name> (123)
TWS119

>  <Synonyms> (123)
N/A

>  <Target> (123)
Autophagy,GSK-3

>  <Form> (123)
free base

>  <CAS> (123)
601514-19-6

>  <URL> (123)
http://selleckchem.com/products/TWS119.html

$$$$
937174-76-0.cdx
csChFnd80/02262515262D

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    3.5495    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3724    2.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7081    9.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1246    9.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5452    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7577    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5452    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3328    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9413    1.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5766    0.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    4.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7626    5.9546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  3  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 18 17  1  1  0  0  0
  9 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 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  1  0  0  0  0
 30 26  2  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (124)
885

>  <Formula> (124)
C21H27N7O3

>  <MolWeight> (124)
425.48418

>  <Cat> (124)
S1113

>  <Name> (124)
GSK690693

>  <Synonyms> (124)
N/A

>  <Target> (124)
Akt,AMPK,Autophagy,DAPK,PKA,PKC,STING,ULK

>  <Form> (124)
free base

>  <CAS> (124)
937174-76-0

>  <URL> (124)
http://selleckchem.com/products/GSK690693.html

$$$$
ICG001.cdx
csChFnd80/02262515262D

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    6.0496    8.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    9.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6826    9.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8909   11.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7364    8.3951    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
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  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  1  0  0  0  0
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 10 12  1  0  0  0  0
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 16 10  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 13  1  0  0  0  0
 14 21  2  0  0  0  0
 12 22  1  1  0  0  0
 19 23  2  0  0  0  0
 18 24  1  0  0  0  0
 20 25  1  1  0  0  0
 25 26  1  0  0  0  0
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 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 24 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 33  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
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 41 42  2  0  0  0  0
 42 38  1  0  0  0  0
M  END
>  <Mol_ID> (125)
895

>  <Formula> (125)
C33H32N4O4

>  <MolWeight> (125)
548.63158

>  <Cat> (125)
S2662

>  <Name> (125)
Foscenvivint (ICG-001)

>  <Synonyms> (125)
N/A

>  <Target> (125)
Apoptosis related,Epigenetic Reader Domain,Wnt/beta-catenin

>  <Form> (125)
free base

>  <CAS> (125)
780757-88-2 (relative stereochemistry); 847591-62-2 (absolute stereochemistry)

>  <URL> (125)
http://selleckchem.com/products/icg-001.html

$$$$
SNX5422.cdx
csChFnd80/02262515262D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    3.6725    4.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    6.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0034    6.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8266    5.6536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4603    4.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476    4.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2472    6.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4594    7.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3112    3.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4589    8.4476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0579    3.8207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.2703    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6910    1.7231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8992    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1074    1.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  1  1  0  0  0  0
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  4 13  1  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
  1 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 22 17  1  0  0  0  0
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 29 24  1  0  0  0  0
 27 30  1  6  0  0  0
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M  END
>  <Mol_ID> (126)
897

>  <Formula> (126)
C25H30F3N5O4

>  <MolWeight> (126)
521.5320096

>  <Cat> (126)
S2656

>  <Name> (126)
PF-04929113 (SNX-5422)

>  <Synonyms> (126)
N/A

>  <Target> (126)
HSP (HSP90)

>  <Form> (126)
free base

>  <CAS> (126)
908115-27-5

>  <URL> (126)
http://selleckchem.com/products/pf-04929113.html

$$$$
Geldanamycin.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (127)
902

>  <Formula> (127)
C29H40N2O9

>  <MolWeight> (127)
560.6359

>  <Cat> (127)
S2713

>  <Name> (127)
Geldanamycin (NSC 122750)

>  <Synonyms> (127)
NSC 122750

>  <Target> (127)
Antineoplastic and Immunosuppressive Antibiotics,Antiviral,Autophagy,HSP (HSP90)

>  <Form> (127)
free base

>  <CAS> (127)
30562-34-6

>  <URL> (127)
http://selleckchem.com/products/geldanamycin.html

$$$$
A769662.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (128)
903

>  <Formula> (128)
C20H12N2O3S

>  <MolWeight> (128)
360.38588

>  <Cat> (128)
S2697

>  <Name> (128)
A-769662

>  <Synonyms> (128)
N/A

>  <Target> (128)
AMPK,Fatty Acid Synthase

>  <Form> (128)
free base

>  <CAS> (128)
844499-71-4

>  <URL> (128)
http://selleckchem.com/products/a-769662.html

$$$$
AZ3146.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (129)
913

>  <Formula> (129)
C24H32N6O3

>  <MolWeight> (129)
452.54928

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S2731

>  <Name> (129)
AZ 3146

>  <Synonyms> (129)
N/A

>  <Target> (129)
MPS1

>  <Form> (129)
free base

>  <CAS> (129)
1124329-14-1

>  <URL> (129)
http://selleckchem.com/products/az-3146.html

$$$$
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>  <Mol_ID> (130)
914

>  <Formula> (130)
C15H19N7O3S

>  <MolWeight> (130)
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>  <Cat> (130)
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>  <Name> (130)
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>  <Synonyms> (130)
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>  <Target> (130)
PI3K

>  <Form> (130)
free base

>  <CAS> (130)
1007207-67-1

>  <URL> (130)
http://selleckchem.com/products/ch5132799.html

$$$$
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>  <Mol_ID> (131)
915

>  <Formula> (131)
C23H30N8O3S

>  <MolWeight> (131)
498.6011

>  <Cat> (131)
S2696

>  <Name> (131)
Apitolisib (GDC-0980)

>  <Synonyms> (131)
RG7422, GNE 390

>  <Target> (131)
Apoptosis related,Autophagy,mTOR,PI3K

>  <Form> (131)
free base

>  <CAS> (131)
1032754-93-0

>  <URL> (131)
http://selleckchem.com/products/GDC-0980-RG7422.html

$$$$
SB415286.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (132)
926

>  <Formula> (132)
C16H10ClN3O5

>  <MolWeight> (132)
359.7207

>  <Cat> (132)
S2729

>  <Name> (132)
SB415286

>  <Synonyms> (132)
N/A

>  <Target> (132)
Apoptosis related,GSK-3

>  <Form> (132)
free base

>  <CAS> (132)
264218-23-7

>  <URL> (132)
http://selleckchem.com/products/sb-415286.html

$$$$
INK 128.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (133)
927

>  <Formula> (133)
C15H15N7O

>  <MolWeight> (133)
309.3259

>  <Cat> (133)
S2811

>  <Name> (133)
Sapanisertib (MLN0128)

>  <Synonyms> (133)
INK 128,TAK-228

>  <Target> (133)
mTOR

>  <Form> (133)
free base

>  <CAS> (133)
1224844-38-5

>  <URL> (133)
http://selleckchem.com/products/ink128.html

$$$$
MK-5108.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (134)
930

>  <Formula> (134)
C22H21ClFN3O3S

>  <MolWeight> (134)
461.9368432

>  <Cat> (134)
S2770

>  <Name> (134)
MK-5108 (VX-689)

>  <Synonyms> (134)
N/A

>  <Target> (134)
Aurora Kinase,Autophagy

>  <Form> (134)
free base

>  <CAS> (134)
1010085-13-8

>  <URL> (134)
http://selleckchem.com/products/mk-5108-vx-689.html

$$$$
PF-04691502.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (135)
939

>  <Formula> (135)
C22H27N5O4

>  <MolWeight> (135)
425.48088

>  <Cat> (135)
S2743

>  <Name> (135)
PF-04691502

>  <Synonyms> (135)
PF4691502

>  <Target> (135)
Akt,Apoptosis related,mTOR,PI3K

>  <Form> (135)
free base

>  <CAS> (135)
1013101-36-4

>  <URL> (135)
http://selleckchem.com/products/pf-04691502.html

$$$$
Albendazole oxide.cdx
csChFnd80/02262515262D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    0.0000    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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M  END
>  <Mol_ID> (136)
954

>  <Formula> (136)
C12H15N3O3S

>  <MolWeight> (136)
281.3308

>  <Cat> (136)
S1836

>  <Name> (136)
Albendazole Oxide

>  <Synonyms> (136)
Ricobendazole,Albendazole sulfoxide

>  <Target> (136)
Microtubule Associated

>  <Form> (136)
free base

>  <CAS> (136)
54029-12-8

>  <URL> (136)
http://selleckchem.com/products/albendazole-oxide-ricobendazole.html

$$$$
Cephalomannine.cdx
csChFnd80/02262515262D

 61 66  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8201    6.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (137)
981

>  <Formula> (137)
C45H53NO14

>  <MolWeight> (137)
831.90062

>  <Cat> (137)
S2408

>  <Name> (137)
Cephalomannine

>  <Synonyms> (137)
Baccatin III

>  <Target> (137)
Antineoplastic and Immunosuppressive Antibiotics

>  <Form> (137)
free base

>  <CAS> (137)
71610-00-9

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

$$$$
Paeoniflorin.cdx
csChFnd80/02262515262D

 36 41  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.0593    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (138)
987

>  <Formula> (138)
C23H28O11

>  <MolWeight> (138)
480.46182

>  <Cat> (138)
S2410

>  <Name> (138)
Paeoniflorin (NSC 178886)

>  <Synonyms> (138)
NSC 178886,Peoniflorin

>  <Target> (138)
COX,HIF

>  <Form> (138)
free base

>  <CAS> (138)
23180-57-6

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

$$$$
AZD 6482.cdx
csChFnd80/02262515262D

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PI3K

>  <Form> (139)
free base

>  <CAS> (139)
1173900-33-8

>  <URL> (139)
http://selleckchem.com/products/azd6482.html

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NP-12

>  <Target> (140)
COVID-19,GSK-3

>  <Form> (140)
free base

>  <CAS> (140)
865854-05-3

>  <URL> (140)
http://selleckchem.com/products/tideglusib.html

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A 205804.cdx
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>  <Mol_ID> (141)
1096

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C15H12N2OS2

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A-205804

>  <Synonyms> (141)
N/A

>  <Target> (141)
Integrin

>  <Form> (141)
free base

>  <CAS> (141)
251992-66-2

>  <URL> (141)
http://selleckchem.com/products/a-205804.html

$$$$
Triptolide.cdx
csChFnd80/02262515262D

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1100

>  <Formula> (142)
C20H24O6

>  <MolWeight> (142)
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>  <Cat> (142)
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>  <Name> (142)
Triptolide (PG490)

>  <Synonyms> (142)
NSC 163062

>  <Target> (142)
ADC Cytotoxin,Apoptosis related,HSP (HSP90),MDM2/MDMX,NF-¦ÊB

>  <Form> (142)
free base

>  <CAS> (142)
38748-32-2

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

$$$$
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csChFnd80/02262515262D

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>  <Mol_ID> (143)
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C21H20F3N7O3S

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717907-75-0

>  <URL> (143)
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GOE 6983, G? 6983

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PKC

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free base

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133053-19-7

>  <URL> (144)
http://selleckchem.com/products/go-6983.html

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free base

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869288-64-2

>  <URL> (145)
http://selleckchem.com/products/pf-573228.html

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COVID-19,GSK-3

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free base

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327036-89-5

>  <URL> (146)
http://selleckchem.com/products/tdzd-8.html

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778270-11-4

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    7.4534    5.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5222    6.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9981    0.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1909    2.7951    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
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
  3 19  1  0  0  0  0
  9 20  2  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  1  0  0  0
 12 24  2  0  0  0  0
  8  9  1  1  0  0  0
  8  7  1  6  0  0  0
M  END
>  <Mol_ID> (148)
1283

>  <Formula> (148)
C17H17ClO6

>  <MolWeight> (148)
352.76628

>  <Cat> (148)
S4071

>  <Name> (148)
Griseofulvin

>  <Synonyms> (148)
N/A

>  <Target> (148)
Microtubule Associated

>  <Form> (148)
free base

>  <CAS> (148)
126-07-8

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

$$$$
triclabendazole.cdx
csChFnd80/02262515262D

 21 23  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
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0239    2.7951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7215    4.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  8 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  8  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (149)
1346

>  <Formula> (149)
C14H9Cl3N2OS

>  <MolWeight> (149)
359.65806

>  <Cat> (149)
S4114

>  <Name> (149)
Triclabendazole

>  <Synonyms> (149)
CGA-89317,tcbz

>  <Target> (149)
Microtubule Associated

>  <Form> (149)
free base

>  <CAS> (149)
68786-66-3

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

$$$$
untitled.cdx
csChFnd80/02262515262D

 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
    2.8425    1.2140    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3420    2.4815    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4421    3.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5937    2.6157    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9912    2.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9065    3.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2908    4.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0775    2.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625    3.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6135    4.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4153    5.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6991    6.8437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2952    6.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5877    5.6520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7836    5.4535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3532    4.2016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5468    3.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1044    1.7863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5983    6.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1416    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1527    0.2113    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
  1  5  1  0  0  0  0
  3  6  1  1  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  2  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 11  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
  5  8  1  1  0  0  0
  1 23  1  6  0  0  0
  2 22  1  6  0  0  0
M  END
>  <Mol_ID> (150)
1431

>  <Formula> (150)
C13H16N6O4

>  <MolWeight> (150)
320.30394

>  <Cat> (150)
S1117

>  <Name> (150)
Triciribine (NSC 154020)

>  <Synonyms> (150)
VD-0002, vqd-002, API-2, TCN

>  <Target> (150)
Akt,DNA/RNA Synthesis,HIV

>  <Form> (150)
free base

>  <CAS> (150)
35943-35-2

>  <URL> (150)
http://selleckchem.com/products/Triciribine.html

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/02262515262D

 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
    0.0000    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
    2.4249    0.7000    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
    1.2124    2.8000    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
    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
    7.2704    3.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0680    5.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479    5.1875    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
  7  8  3  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
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (151)
1433

>  <Formula> (151)
C8H7NO2S

>  <MolWeight> (151)
181.21168

>  <Cat> (151)
S2930

>  <Name> (151)
Pifithrin-¦Ì

>  <Synonyms> (151)
NSC 303580, PFT¦Ì, 2-Phenylethynesulfonamide

>  <Target> (151)
Autophagy,HSP (HSP90),p53

>  <Form> (151)
free base

>  <CAS> (151)
64984-31-2

>  <URL> (151)
http://selleckchem.com/products/pifithrin-u.html

$$$$
Flufenamic acid.cdx
csChFnd80/02262515262D

 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
    1.2124    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
    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
    7.2746    2.1000    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
    6.0622    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
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1870    1.5876    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
 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
 11 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 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> (152)
1457

>  <Formula> (152)
C14H10F3NO2

>  <MolWeight> (152)
281.2299096

>  <Cat> (152)
S4268

>  <Name> (152)
Flufenamic acid

>  <Synonyms> (152)
N/A

>  <Target> (152)
Immunology & Inflammation related

>  <Form> (152)
free base

>  <CAS> (152)
530-78-9

>  <URL> (152)
http://selleckchem.com/products/flufenamic-acid.html

$$$$
Vinorelbine tartrate.cdx
csChFnd80/02262515262D

 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
    6.7339    7.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9463    6.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1587    7.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1587    8.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9463    9.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4902    7.1539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3131    8.2866    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4902    9.4192    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9213    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7055    8.4329    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2749    9.7119    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4520   10.8445    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0597   10.6981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0214   12.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1985   13.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8062   13.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2368   11.8308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2778   10.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1197   11.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6271   11.9727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6755    9.6389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8395   10.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4069   12.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6749    9.7119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3725   10.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7676   10.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3725   12.3201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5255    7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9130    7.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9580    6.0297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4804    8.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0055    7.2205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5256    9.6841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5256    6.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5256    5.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5256   11.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3174    8.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7381   10.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7381   11.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1381   10.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9463   12.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0384    9.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1017    8.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8017    7.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1711    7.5942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7017    8.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0017    7.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7017    6.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1017    6.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5357   12.0692    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5357   13.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3233   14.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1108   13.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3233   11.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3233   15.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5315   16.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8260   10.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.4389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8371    2.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    1.4389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    3.5316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.5316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3666    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9460    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5749    1.3976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7831    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5749    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9913    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7831    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3666    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  7 10  1  0  0  0  0
  8 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  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
  9 19  1  1  0  0  0
 20 19  1  0  0  0  0
 20 18  1  0  0  0  0
 14 21  1  6  0  0  0
  8 22  1  1  0  0  0
 13 23  1  6  0  0  0
 23 24  1  0  0  0  0
 12 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 11 29  1  6  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 11 33  1  1  0  0  0
 34  1  1  6  0  0  0
  2 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
 34 38  1  0  0  0  0
 34 39  1  1  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 40 42  1  0  0  0  0
 38 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 38  1  0  0  0  0
 44 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 45  1  0  0  0  0
 37 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 51  1  0  0  0  0
 53 57  1  0  0  0  0
 57 58  1  0  0  0  0
 43 59  1  0  0  0  0
 55 59  1  1  0  0  0
 60 61  1  0  0  0  0
 60 62  1  0  0  0  0
 60 63  2  0  0  0  0
 61 64  1  0  0  0  0
 64 65  1  0  0  0  0
 64 66  1  6  0  0  0
 65 67  1  0  0  0  0
 65 68  2  0  0  0  0
 61 69  1  6  0  0  0
 70 71  1  0  0  0  0
 70 72  1  0  0  0  0
 70 73  2  0  0  0  0
 71 74  1  0  0  0  0
 74 75  1  0  0  0  0
 74 76  1  6  0  0  0
 75 77  1  0  0  0  0
 75 78  2  0  0  0  0
 71 79  1  6  0  0  0
M  END
>  <Mol_ID> (153)
1466

>  <Formula> (153)
C53H66N4O20

>  <MolWeight> (153)
1079.10594

>  <Cat> (153)
S4269

>  <Name> (153)
Vinorelbine ditartrate (KW-2307)

>  <Synonyms> (153)
Nor-5'-anhydrovinblastine ditartrate,KW-2307

>  <Target> (153)
Apoptosis related,Autophagy,Microtubule Associated

>  <Form> (153)
ditartrate

>  <CAS> (153)
125317-39-7

>  <URL> (153)
http://selleckchem.com/products/vinorelbine-tartrate.html

$$$$
Vincristine Sulfate.cdx
csChFnd80/02262515262D

 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
    6.3371    3.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6894    3.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0517    5.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0618    6.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7095    5.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9995    3.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8635    2.9336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9515    3.8146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4498    5.1217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4397    6.1116    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8041    7.3590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4214    7.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2024    5.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8378    6.0383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6003    7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9647    8.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5666    8.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2002    4.6860    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3038    3.4523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9365    1.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5842    1.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9515    2.4146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9414    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1539    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6525    1.5661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5162    2.7523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5525    4.3237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7649    3.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7649    2.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9731    4.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8021    4.7593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1901    5.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1801    6.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7229    6.6625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7330    7.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5105    5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1582    6.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8105    4.7501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9520    9.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    9.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3502    7.4334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422   11.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900   11.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    9.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520   10.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0043   10.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167    9.9100    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.0752    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0652    7.2901    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5167    8.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167    9.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4175    7.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167    8.6976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0167    9.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6690    9.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6590   10.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7652    6.0777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8906    8.8479    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1030    9.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5383    8.4856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2529    7.4956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1906   10.0603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 12 16  1  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 13  1  0  0  0  0
 16 20  1  0  0  0  0
 10 21  1  0  0  0  0
 20 21  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  2  0  0  0  0
 10 24  1  1  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 21 29  1  1  0  0  0
 20 30  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 12 34  1  6  0  0  0
 16 35  1  6  0  0  0
 35 36  1  0  0  0  0
  6 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  1  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 39 42  2  0  0  0  0
 38 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 38  1  0  0  0  0
 44 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 45  1  0  0  0  0
 43 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 37 54  1  0  0  0  0
 54 55  1  0  0  0  0
 53 56  1  0  0  0  0
 56 55  1  0  0  0  0
 53 57  1  0  0  0  0
 55 58  1  0  0  0  0
 57 59  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  1  0  0  0
 59 61  1  0  0  0  0
 61 62  1  0  0  0  0
 55 63  1  6  0  0  0
 64 65  2  0  0  0  0
 64 66  2  0  0  0  0
 64 67  1  0  0  0  0
 64 68  1  0  0  0  0
M  END
>  <Mol_ID> (154)
1470

>  <Formula> (154)
C46H58N4O14S

>  <MolWeight> (154)
923.03612

>  <Cat> (154)
S1241

>  <Name> (154)
Vincristine (NSC-67574) sulfate

>  <Synonyms> (154)
Leurocristine, Oncovin, NSC-67574, 22-Oxovincaleukoblastine

>  <Target> (154)
Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,Microtubule Associated

>  <Form> (154)
free base

>  <CAS> (154)
2068-78-2

>  <URL> (154)
http://selleckchem.com/products/Vincristine-Sulfate.html

$$$$
Meclofenamate sodium.cdx
csChFnd80/02262515262D

 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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    1.2124    2.8000    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
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 Cl  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    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 Na  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  6 16  1  0  0  0  0
  4 17  1  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (155)
1490

>  <Formula> (155)
C14H10Cl2NNaO2

>  <MolWeight> (155)
318.13047

>  <Cat> (155)
S4295

>  <Name> (155)
Meclofenamate Sodium

>  <Synonyms> (155)
CI 583

>  <Target> (155)
COX,FTO

>  <Form> (155)
Sodium Salt

>  <CAS> (155)
6385-02-0

>  <URL> (155)
http://selleckchem.com/products/meclofenamate-sodium.html

$$$$
Temsirolimus.cdx
csChFnd80/02262515262D

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   10.5798   10.2237    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (156)
1502

>  <Formula> (156)
C56H87NO16

>  <MolWeight> (156)
1030.28708

>  <Cat> (156)
S1044

>  <Name> (156)
Temsirolimus (CCI-779)

>  <Synonyms> (156)
NSC 683864,CCI-779

>  <Target> (156)
Apoptosis related,Autophagy,mTOR

>  <Form> (156)
free base

>  <CAS> (156)
162635-04-3

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

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (157)
1507

>  <Formula> (157)
C25H31N7O6

>  <MolWeight> (157)
525.55694

>  <Cat> (157)
S2018

>  <Name> (157)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (157)
N/A

>  <Target> (157)
Aurora Kinase,FLT3,VEGFR

>  <Form> (157)
free base

>  <CAS> (157)
1291074-87-7

>  <URL> (157)
http://selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
S1263.cdx
csChFnd80/02262515262D

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   18.1559    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  4  8  1  0  0  0  0
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  7 32  3  0  0  0  0
M  END
>  <Mol_ID> (158)
1526

>  <Formula> (158)
C22H18Cl2N8

>  <MolWeight> (158)
465.33792

>  <Cat> (158)
S1263

>  <Name> (158)
Laduviglusib (CHIR-99021)

>  <Synonyms> (158)
CT99021

>  <Target> (158)
Autophagy,GSK-3,Wnt/beta-catenin

>  <Form> (158)
free base

>  <CAS> (158)
252917-06-9

>  <URL> (158)
http://selleckchem.com/products/CHIR-99021.html

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/02262515262D

 41 42  0  0  0  0  0  0  0  0999 V2000
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    6.4004    9.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1031    9.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0930    8.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4453    8.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7307    7.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4353    7.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3737    6.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0101    5.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0035    4.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3605    4.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7241    6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146   10.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8224   11.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1861   12.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1927   13.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8356   13.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8781    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781    2.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6656    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0905    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3029    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5154    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7278    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7278    2.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9402    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3029    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5154    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0905    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3029    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
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 23 24  2  0  0  0  0
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 29 32  1  0  0  0  0
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 34 35  1  0  0  0  0
 33 38  1  0  0  0  0
 33 41  1  0  0  0  0
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 29 30  2  0  0  0  0
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 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> (159)
1528

>  <Formula> (159)
C32H37NO8

>  <MolWeight> (159)
563.63808

>  <Cat> (159)
S1238

>  <Name> (159)
Tamoxifen (ICI 46474)

>  <Synonyms> (159)
ICI 46474, (Z)-Tamoxifen, trans-Tamoxifen

>  <Target> (159)
Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,ATPase,Autophagy,Estrogen/progestogen Receptor,HSP (HSP90)

>  <Form> (159)
Free Base

>  <CAS> (159)
10540-29-1

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

$$$$
Vinblastine sulfate.cdx
csChFnd80/02262515262D

 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
   10.3017    6.7853    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5141    6.0853    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7266    6.7853    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   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
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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
    8.9017    6.7853    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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 11 12  1  0  0  0  0
 16 18  1  0  0  0  0
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 55 56  1  0  0  0  0
 63 64  2  0  0  0  0
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 63 66  1  0  0  0  0
 63 67  1  0  0  0  0
M  END
>  <Mol_ID> (160)
1529

>  <Formula> (160)
C46H60N4O13S

>  <MolWeight> (160)
909.0526

>  <Cat> (160)
S4505

>  <Name> (160)
Vinblastine (NSC-49842) sulfate

>  <Synonyms> (160)
Vincaleukoblastine sulfate salt, 29060-LE, Exal, Velban, Velbe

>  <Target> (160)
AChR,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,Microtubule Associated

>  <Form> (160)
sulfate

>  <CAS> (160)
143-67-9

>  <URL> (160)
http://selleckchem.com/products/vinblastine-sulfate.html

$$$$
i-Inositol.cdx
csChFnd80/02262515262D

 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
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  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> (161)
1544

>  <Formula> (161)
C6H12O6

>  <MolWeight> (161)
180.15588

>  <Cat> (161)
S4530

>  <Name> (161)
i-Inositol

>  <Synonyms> (161)
myo-inositol

>  <Target> (161)
Others

>  <Form> (161)
free base

>  <CAS> (161)
87-89-8

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

$$$$
Danthron.cdx
csChFnd80/02262515262D

 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> (162)
1557

>  <Formula> (162)
C14H8O4

>  <MolWeight> (162)
240.21092

>  <Cat> (162)
S4561

>  <Name> (162)
Danthron

>  <Synonyms> (162)
chrysazin, Antrapurol

>  <Target> (162)
AMPK

>  <Form> (162)
free base

>  <CAS> (162)
117-10-2

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

$$$$
Methylene Blue.cdx
csChFnd80/02262515262D

 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> (163)
1562

>  <Formula> (163)
C16H18ClN3S

>  <MolWeight> (163)
319.85222

>  <Cat> (163)
S4535

>  <Name> (163)
Methylene Blue

>  <Synonyms> (163)
Basic Blue 9, Tetramethylthionine chloride, methylthioninium chloride, CI-52015

>  <Target> (163)
Dyes,Guanylate Cyclase,Microtubule Associated

>  <Form> (163)
free base

>  <CAS> (163)
61-73-4

>  <URL> (163)
http://selleckchem.com/products/methylene-blue.html

$$$$
S4711 Esculetin.cdx
csChFnd80/02262515262D

 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
    3.6373    2.1000    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
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (164)
1657

>  <Formula> (164)
C9H6O4

>  <MolWeight> (164)
178.14154

>  <Cat> (164)
S4711

>  <Name> (164)
Esculetin

>  <Synonyms> (164)
Cichorigenin, Aesculetin

>  <Target> (164)
Lipoxygenase

>  <Form> (164)
free base

>  <CAS> (164)
305-01-1

>  <URL> (164)
http://selleckchem.com/products/esculetin.html

$$$$
S4743 Wogonin.cdx
csChFnd80/02262515262D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6326    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8438    4.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4175    4.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454    2.0945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0572    4.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8438    6.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2051    4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4175    6.2915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2204    2.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    0.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    0.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4841    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4827    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6957    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6965    0.7008    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  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 13  2  0  0  0  0
  9 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (165)
1687

>  <Formula> (165)
C16H12O5

>  <MolWeight> (165)
284.26348

>  <Cat> (165)
S4743

>  <Name> (165)
Wogonin

>  <Synonyms> (165)
Vogonin

>  <Target> (165)
CDK,Transferase

>  <Form> (165)
free base

>  <CAS> (165)
632-85-9

>  <URL> (165)
http://selleckchem.com/products/wogonin.html

$$$$
NS-187.cdx
csChFnd80/02262515262D

 42 46  0  0  0  0  0  0  0  0999 V2000
    3.6331    4.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5240    6.2854    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    6.9830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9446    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0910    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4604    1.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1604    3.0217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2236    4.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5479    3.1676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.4179    2.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0865    4.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
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 18 19  2  0  0  0  0
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 22 24  1  0  0  0  0
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 21 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
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 33 29  1  0  0  0  0
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 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
  6 37  1  0  0  0  0
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 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
M  END
>  <Mol_ID> (166)
1699

>  <Formula> (166)
C30H31F3N8O

>  <MolWeight> (166)
576.6153496

>  <Cat> (166)
S1369

>  <Name> (166)
Bafetinib (INNO-406)

>  <Synonyms> (166)
NS-187

>  <Target> (166)
Bcr-Abl

>  <Form> (166)
free base

>  <CAS> (166)
859212-16-1

>  <URL> (166)
http://selleckchem.com/products/Bafetinib.html

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/02262515262D

 47 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (167)
1701

>  <Formula> (167)
C37H42Cl2N2O6

>  <MolWeight> (167)
681.64518

>  <Cat> (167)
S3609

>  <Name> (167)
Berbamine dihydrochloride

>  <Synonyms> (167)
BA, BBM

>  <Target> (167)
Bcr-Abl,CaMK,NF-¦ÊB

>  <Form> (167)
dihydrochloride

>  <CAS> (167)
6078-17-7

>  <URL> (167)
http://selleckchem.com/products/berbamine-dihydrochloride.html

$$$$
S3606 Fangchinoline.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (168)
1704

>  <Formula> (168)
C37H40N2O6

>  <MolWeight> (168)
608.7233

>  <Cat> (168)
S3606

>  <Name> (168)
Fangchinoline

>  <Synonyms> (168)
N/A

>  <Target> (168)
Reverse Transcriptase

>  <Form> (168)
free base

>  <CAS> (168)
33889-68-8

>  <URL> (168)
http://selleckchem.com/products/r-s-fangchinoline.html

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/02262515262D

  7  6  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (169)
1713

>  <Formula> (169)
C4H7NO2

>  <MolWeight> (169)
101.10388

>  <Cat> (169)
S3699

>  <Name> (169)
2,3-Butanedione-2-monoxime

>  <Synonyms> (169)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (169)
MLCK

>  <Form> (169)
free base

>  <CAS> (169)
57-71-6

>  <URL> (169)
http://selleckchem.com/products/2-3-butanedione-2-monoxime.html

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/02262515262D

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    9.6995    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.9000    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
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  5  6  2  0  0  0  0
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  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 34 29  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
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 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
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 44 45  1  0  0  0  0
 23 46  1  6  0  0  0
 18 47  1  0  0  0  0
M  END
>  <Mol_ID> (170)
1719

>  <Formula> (170)
C37H40N2O6

>  <MolWeight> (170)
608.7233

>  <Cat> (170)
S3611

>  <Name> (170)
(+)-Fangchinoline

>  <Synonyms> (170)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (170)
Others

>  <Form> (170)
free base

>  <CAS> (170)
436-77-1

>  <URL> (170)
http://selleckchem.com/products/s-s-fangchinoline.html

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/02262515262D

 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
    4.8210    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4093    4.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8210    6.3050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005    4.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    0.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (171)
1723

>  <Formula> (171)
C9H10O4

>  <MolWeight> (171)
182.1733

>  <Cat> (171)
S3630

>  <Name> (171)
Methyl Vanillate

>  <Synonyms> (171)
N/A

>  <Target> (171)
Wnt/beta-catenin

>  <Form> (171)
free base

>  <CAS> (171)
3943-74-6

>  <URL> (171)
http://selleckchem.com/products/methyl-vanillate.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/02262515262D

 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
    2.4249    2.1000    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
    1.2124    4.2000    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
    1.2124    1.4000    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
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  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
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  5 10  1  0  0  0  0
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  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (172)
1738

>  <Formula> (172)
C11H8O3

>  <MolWeight> (172)
188.17942

>  <Cat> (172)
S3661

>  <Name> (172)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (172)
N/A

>  <Target> (172)
PKC

>  <Form> (172)
free base

>  <CAS> (172)
2348-82-5

>  <URL> (172)
http://selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3725 ELR-510444.cdx
csChFnd80/02262515262D

 25 27  0  0  0  0  0  0  0  0999 V2000
   12.3142    3.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3142    4.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5289    5.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7478    4.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7478    3.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5359    2.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0993    2.3676    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3985    3.5815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7985    1.1566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9536    5.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6732    2.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6732    3.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4596    4.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2490    3.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2490    2.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4508    1.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8806    4.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    0.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4817    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7817    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7247    2.2517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3918    1.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5155    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
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
  4 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
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 24 25  3  0  0  0  0
 22 24  1  0  0  0  0
 16 19  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (173)
1754

>  <Formula> (173)
C19H16N2O2S2

>  <MolWeight> (173)
368.47254

>  <Cat> (173)
S3725

>  <Name> (173)
ELR-510444

>  <Synonyms> (173)
N/A

>  <Target> (173)
Microtubule Associated

>  <Form> (173)
free base

>  <CAS> (173)
1233948-35-0

>  <URL> (173)
http://selleckchem.com/products/elr-510444.html

$$$$
S3714 Lifitegrast.cdx
csChFnd80/02262515262D

 41 45  0  0  0  0  0  0  0  0999 V2000
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.5533    5.6000    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
  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
  4  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  5  1  0  0  0  0
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 15 13  1  1  0  0  0
 15 16  1  0  0  0  0
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 16 18  2  0  0  0  0
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 19 20  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 22 26  1  0  0  0  0
  3 27  1  0  0  0  0
  9 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 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 29  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 34  1  0  0  0  0
 26 39  2  0  0  0  0
 26 40  2  0  0  0  0
 26 41  1  0  0  0  0
M  END
>  <Mol_ID> (174)
1779

>  <Formula> (174)
C29H24Cl2N2O7S

>  <MolWeight> (174)
615.48106

>  <Cat> (174)
S3714

>  <Name> (174)
Lifitegrast

>  <Synonyms> (174)
SAR1118,SHP-606

>  <Target> (174)
Integrin

>  <Form> (174)
free base

>  <CAS> (174)
1025967-78-5

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

$$$$
Colchicine.cdx
csChFnd80/02262515262D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.6958    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6958    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9082    0.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1207    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1207    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9082    2.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6012    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    1.5729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.1418    3.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9259    7.3402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5927    7.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8848    5.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.8729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.9656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9082    4.3680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3289    2.9705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3289    0.1753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1165    5.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3289    4.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5371    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.2729    0.0000 H   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
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
  7 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  1  0  0  0  0
 16  8  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  2  0  0  0  0
  9 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
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  6 24  1  0  0  0  0
  5 25  1  0  0  0  0
  4 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
  9 30  1  1  0  0  0
M  END
>  <Mol_ID> (175)
1810

>  <Formula> (175)
C22H25NO6

>  <MolWeight> (175)
399.437

>  <Cat> (175)
S2284

>  <Name> (175)
Colchicine (NSC 757)

>  <Synonyms> (175)
Colchineos, Colchisol, Colcin,NSC 757

>  <Target> (175)
Microtubule Associated

>  <Form> (175)
free base

>  <CAS> (175)
64-86-8

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

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/02262515262D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1100    3.6488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5066    3.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900    1.2240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3900    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7  9  1  0  0  0  0
  9 11  1  6  0  0  0
M  END
>  <Mol_ID> (176)
1831

>  <Formula> (176)
C6H13NO4

>  <MolWeight> (176)
163.17172

>  <Cat> (176)
S3839

>  <Name> (176)
1-Deoxynojirimycin

>  <Synonyms> (176)
duvoglustat, moranolin

>  <Target> (176)
Carbohydrate Metabolism

>  <Form> (176)
free base

>  <CAS> (176)
19130-96-2

>  <URL> (176)
http://selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/02262515262D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    4.8534    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    2.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9660    7.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1018    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2136    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
  8 10  1  1  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 18  3  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  2  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
  7 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (177)
1835

>  <Formula> (177)
C19H20O5

>  <MolWeight> (177)
328.3591

>  <Cat> (177)
S3819

>  <Name> (177)
Decursinol angelate

>  <Synonyms> (177)
N/A

>  <Target> (177)
PKC

>  <Form> (177)
free base

>  <CAS> (177)
130848-06-5

>  <URL> (177)
http://selleckchem.com/products/decursinol-angelate.html

$$$$
S3836 6-Gingerol.cdx
csChFnd80/02262515262D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.8540    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4914    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    4.8939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9162    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1287    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3411    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5535    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7660    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    2.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    2.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    4.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    4.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 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> (178)
1848

>  <Formula> (178)
C17H26O4

>  <MolWeight> (178)
294.38594

>  <Cat> (178)
S3836

>  <Name> (178)
6-Gingerol

>  <Synonyms> (178)
N/A

>  <Target> (178)
Apoptosis related

>  <Form> (178)
free base

>  <CAS> (178)
23513-14-6

>  <URL> (178)
http://selleckchem.com/products/6-gingerol.html

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/02262515262D

 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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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> (179)
1852

>  <Formula> (179)
C21H20O12

>  <MolWeight> (179)
464.3763

>  <Cat> (179)
S3842

>  <Name> (179)
Isoquercitrin

>  <Synonyms> (179)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (179)
Wnt/beta-catenin

>  <Form> (179)
free base

>  <CAS> (179)
482-35-9

>  <URL> (179)
http://selleckchem.com/products/isoquercitrin.html

$$$$
S3783 Echinacoside.cdx
csChFnd80/02262515262D

 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
    8.3709    9.7211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9767    7.3129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8070    2.4312    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9113    3.6527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7314   12.1724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5697    9.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4788    1.2519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   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
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   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
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   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
    6.2201   13.3031    0.0000 O   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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   18.8912   10.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1782   12.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2912   10.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8796   13.3704    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  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  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
  5 11  1  6  0  0  0
 12  6  1  6  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
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 10 16  1  1  0  0  0
 12 17  1  0  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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 17 23  1  1  0  0  0
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 24 31  1  1  0  0  0
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 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
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 53 55  1  0  0  0  0
M  END
>  <Mol_ID> (180)
1869

>  <Formula> (180)
C35H46O20

>  <MolWeight> (180)
786.72774

>  <Cat> (180)
S3783

>  <Name> (180)
Echinacoside

>  <Synonyms> (180)
N/A

>  <Target> (180)
Tyrosinase

>  <Form> (180)
free base

>  <CAS> (180)
82854-37-3

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

$$$$
S3933 10-deacetyl-paclitaxel,10-DAT.cdx
csChFnd80/02262515262D

 61 67  0  0  0  0  0  0  0  0999 V2000
   16.6230    5.4612    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7876    6.5983    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0308    5.6314    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8706    4.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8806    4.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4572    6.0801    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3291    7.8902    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   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
   13.1807    6.7916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3643    4.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8030    9.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9402    9.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1393    3.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2517    1.8721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7898    7.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0692    8.0061    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0339    2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8968    4.9894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1015   11.0693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8348    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2483    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0692   10.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4699    8.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8194    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2483    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2557    8.0061    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4699   10.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0339    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412    8.6946    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   19.3923    5.3297    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  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 60  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 61  1  6  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  6  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  1  0  0  0
  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  1  0  0  0
 12 21  1  0  0  0  0
 13 22  1  1  0  0  0
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 14 24  2  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 21 29  1  0  0  0  0
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 25 32  2  0  0  0  0
 28 33  1  6  0  0  0
 28 32  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  2  0  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 34 38  2  0  0  0  0
 35 39  1  0  0  0  0
 37 40  1  0  0  0  0
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 38 42  1  0  0  0  0
 39 42  2  0  0  0  0
 40 43  1  0  0  0  0
 40 44  1  6  0  0  0
 43 45  1  0  0  0  0
 43 46  1  1  0  0  0
 45 47  2  0  0  0  0
 45 48  1  0  0  0  0
 46 49  1  0  0  0  0
 47 50  1  0  0  0  0
 48 51  2  0  0  0  0
 49 52  1  0  0  0  0
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 52 55  2  0  0  0  0
 52 56  1  0  0  0  0
 55 57  1  0  0  0  0
 56 58  2  0  0  0  0
 57 59  2  0  0  0  0
 58 59  1  0  0  0  0
M  END
>  <Mol_ID> (181)
1880

>  <Formula> (181)
C45H49NO13

>  <MolWeight> (181)
811.86946

>  <Cat> (181)
S3933

>  <Name> (181)
10-deacetyl-paclitaxel

>  <Synonyms> (181)
10-DAT, Deacetyl Paclitaxel

>  <Target> (181)
Others

>  <Form> (181)
free base

>  <CAS> (181)
78432-77-6

>  <URL> (181)
http://selleckchem.com/products/10-deacetyl-paclitaxel.html

$$$$
S3802 Trigonelline Hydrochloride.cdx
csChFnd80/02262515262D

 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
    1.2272    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    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> (182)
1909

>  <Formula> (182)
C7H8ClNO2

>  <MolWeight> (182)
173.59692

>  <Cat> (182)
S3802

>  <Name> (182)
Trigonelline Hydrochloride

>  <Synonyms> (182)
Nicotinic acid N-methylbetaine Hydrochloride, Coffearine Hydrochloride, Gynesine Hydrochloride

>  <Target> (182)
Bacterial

>  <Form> (182)
chloride

>  <CAS> (182)
6138-41-6

>  <URL> (182)
http://selleckchem.com/products/trigonelline-hydrochloride.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/02262515262D

 58 65  0  0  0  0  0  0  0  0999 V2000
    9.6984    9.2105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9007    8.5163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.6984   10.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4740    7.0593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
    7.2584    6.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0158    8.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480   10.6287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4779    8.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6659    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4140   11.1992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9684   12.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 43 49  1  0  0  0  0
 43 50  1  1  0  0  0
 45 49  1  0  0  0  0
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 46 53  1  0  0  0  0
 49 54  1  6  0  0  0
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M  END
>  <Mol_ID> (183)
1919

>  <Formula> (183)
C41H68O14

>  <MolWeight> (183)
784.97022

>  <Cat> (183)
S3901

>  <Name> (183)
Astragaloside IV

>  <Synonyms> (183)
AST-IV, AS-IV

>  <Target> (183)
Akt,ERK,JNK,mTOR,NF-¦ÊB

>  <Form> (183)
free base

>  <CAS> (183)
84687-43-4

>  <URL> (183)
http://selleckchem.com/products/sastragaloside-iv.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/02262515262D

 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
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    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
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   10.6277    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  5  4  1  0  0  0  0
  5  8  1  0  0  0  0
  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
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 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
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 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> (184)
1921

>  <Formula> (184)
C20H24O11

>  <MolWeight> (184)
440.39796

>  <Cat> (184)
S3781

>  <Name> (184)
Ginkgolide C

>  <Synonyms> (184)
BN-52022

>  <Target> (184)
MMP

>  <Form> (184)
free base

>  <CAS> (184)
15291-76-6

>  <URL> (184)
http://selleckchem.com/products/ginkgolide-c.html

$$$$
S3794 Palmitic acid.cdx
csChFnd80/02262515262D

 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
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   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> (185)
1925

>  <Formula> (185)
C16H32O2

>  <MolWeight> (185)
256.42408

>  <Cat> (185)
S3794

>  <Name> (185)
Palmitic acid

>  <Synonyms> (185)
hexadecanoic acid, Cetylic acid

>  <Target> (185)
Others

>  <Form> (185)
free base

>  <CAS> (185)
57-10-3

>  <URL> (185)
http://selleckchem.com/products/palmitic-acid.html

$$$$
KY02111.cdx
csChFnd80/02262515262D

 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
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   15.4152    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6277    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4152    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
  3 14  1  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  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
 23 24  1  0  0  0  0
 20 24  2  0  0  0  0
 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> (186)
1941

>  <Formula> (186)
C18H17ClN2O3S

>  <MolWeight> (186)
376.85718

>  <Cat> (186)
S7096

>  <Name> (186)
KY02111

>  <Synonyms> (186)
N/A

>  <Target> (186)
Wnt/beta-catenin

>  <Form> (186)
free base

>  <CAS> (186)
1118807-13-8

>  <URL> (186)
http://selleckchem.com/products/ky02111.html

$$$$
IPA-3.cdx
csChFnd80/02262515262D

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.0623    2.1001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2748    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (187)
1942

>  <Formula> (187)
C20H14O2S2

>  <MolWeight> (187)
350.45396

>  <Cat> (187)
S7093

>  <Name> (187)
IPA-3

>  <Synonyms> (187)
N/A

>  <Target> (187)
PAK

>  <Form> (187)
free base

>  <CAS> (187)
42521-82-4

>  <URL> (187)
http://selleckchem.com/products/ipa-3.html

$$$$
XL888.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (188)
1949

>  <Formula> (188)
C29H37N5O3

>  <MolWeight> (188)
503.63578

>  <Cat> (188)
S7122

>  <Name> (188)
XL888

>  <Synonyms> (188)
N/A

>  <Target> (188)
HSP (HSP90)

>  <Form> (188)
free base

>  <CAS> (188)
1149705-71-4

>  <URL> (188)
http://selleckchem.com/products/xl888.html

$$$$
CGK 733.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (189)
1951

>  <Formula> (189)
C23H18Cl3FN4O3S

>  <MolWeight> (189)
555.8364232

>  <Cat> (189)
S7136

>  <Name> (189)
CGK 733

>  <Synonyms> (189)
N/A

>  <Target> (189)
ATM/ATR

>  <Form> (189)
free base

>  <CAS> (189)
905973-89-9

>  <URL> (189)
http://selleckchem.com/products/cgk-733.html

$$$$
NU6027.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (190)
1955

>  <Formula> (190)
C11H17N5O2

>  <MolWeight> (190)
251.28498

>  <Cat> (190)
S7114

>  <Name> (190)
NU6027

>  <Synonyms> (190)
N/A

>  <Target> (190)
CDK

>  <Form> (190)
free base

>  <CAS> (190)
220036-08-8

>  <URL> (190)
http://selleckchem.com/products/nu6027.html

$$$$
GZD824.cdx
csChFnd80/02262515262D

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    2.0988    7.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2893   10.6328    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
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  3  9  1  0  0  0  0
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 17 12  1  0  0  0  0
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 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
  7 30  3  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 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
 33 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  2  0  0  0  0
 41 44  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  2  0  0  0  0
 46 49  1  0  0  0  0
M  END
>  <Mol_ID> (191)
1959

>  <Formula> (191)
C31H35F3N6O7S2

>  <MolWeight> (191)
724.7708096

>  <Cat> (191)
S7194

>  <Name> (191)
Olverembatinib dimesylate (HQP1351)

>  <Synonyms> (191)
GZD824 Dimesylate

>  <Target> (191)
Bcr-Abl

>  <Form> (191)
Mesylate

>  <CAS> (191)
1421783-64-3

>  <URL> (191)
http://selleckchem.com/products/gzd824.html

$$$$
RKI-1447.cdx
csChFnd80/02262515262D

 23 25  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
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7836    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2878    3.3581    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
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  3  4  2  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 21  1  0  0  0  0
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 22 17  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (192)
1961

>  <Formula> (192)
C16H14N4O2S

>  <MolWeight> (192)
326.37296

>  <Cat> (192)
S7195

>  <Name> (192)
RKI-1447

>  <Synonyms> (192)
N/A

>  <Target> (192)
ROCK

>  <Form> (192)
free base

>  <CAS> (192)
1342278-01-6

>  <URL> (192)
http://selleckchem.com/products/rki-1447.html

$$$$
4'-Demethylepipodophyllotoxin.cdx
csChFnd80/02262515262D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    5.5927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0041    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.7917    8.3927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3356    5.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1585    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667    4.5332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    8.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    5.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0041    4.8927    0.0000 H   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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  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> (193)
1976

>  <Formula> (193)
C21H20O8

>  <MolWeight> (193)
400.3787

>  <Cat> (193)
S2254

>  <Name> (193)
4-Demethylepipodophyllotoxin(NSC-122819,VM-26)

>  <Synonyms> (193)
DMEP

>  <Target> (193)
Microtubule Associated

>  <Form> (193)
free base

>  <CAS> (193)
6559-91-7

>  <URL> (193)
http://selleckchem.com/products/4-Demethylepipodophyllotoxin.html

$$$$
S5006 Teprenone.cdx
csChFnd80/02262515262D

 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> (194)
2102

>  <Formula> (194)
C23H38O

>  <MolWeight> (194)
330.54722

>  <Cat> (194)
S5006

>  <Name> (194)
Teprenone

>  <Synonyms> (194)
Geranylgeranylacetone, Tetraprenylacetone

>  <Target> (194)
HSP (HSP90)

>  <Form> (194)
Isoprenoids

>  <CAS> (194)
6809-52-5

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

$$$$
S4953 Usnic acid.cdx
csChFnd80/02262515262D

 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
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M  END
>  <Mol_ID> (195)
2118

>  <Formula> (195)
C18H16O7

>  <MolWeight> (195)
344.31544

>  <Cat> (195)
S4953

>  <Name> (195)
Usnic acid

>  <Synonyms> (195)
Usniacin

>  <Target> (195)
Akt,ERK

>  <Form> (195)
free base

>  <CAS> (195)
125-46-2

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

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (196)
2121

>  <Formula> (196)
C32H40O8

>  <MolWeight> (196)
552.6552

>  <Cat> (196)
S3832

>  <Name> (196)
Euphorbiasteroid

>  <Synonyms> (196)
Euphorbia factor L1

>  <Target> (196)
AMPK

>  <Form> (196)
free base

>  <CAS> (196)
28649-59-4

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

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (197)
2175

>  <Formula> (197)
C47H80O18

>  <MolWeight> (197)
933.1273

>  <Cat> (197)
S3785

>  <Name> (197)
Notoginsenoside R1

>  <Synonyms> (197)
Sanchinoside R1, NG-R1, NGR1

>  <Target> (197)
Akt,ERK,PAI-1,PI3K

>  <Form> (197)
free base

>  <CAS> (197)
80418-24-2

>  <URL> (197)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
S3970 Vindoline.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (198)
2179

>  <Formula> (198)
C25H32N2O6

>  <MolWeight> (198)
456.53138

>  <Cat> (198)
S3970

>  <Name> (198)
Vindoline

>  <Synonyms> (198)
N/A

>  <Target> (198)
Microtubule Associated

>  <Form> (198)
free base

>  <CAS> (198)
2182-14-1

>  <URL> (198)
http://selleckchem.com/products/vindoline.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (199)
2188

>  <Formula> (199)
C29H36O15

>  <MolWeight> (199)
624.58714

>  <Cat> (199)
S2323

>  <Name> (199)
Methyl-Hesperidin

>  <Synonyms> (199)
N/A

>  <Target> (199)
Akt,PKC

>  <Form> (199)
free base

>  <CAS> (199)
11013-97-1

>  <URL> (199)
http://selleckchem.com/products/Methyl-Hesperidin.html

$$$$
SNS-314 Mesylate.cdx
csChFnd80/02262515262D

 33 35  0  0  0  0  0  0  0  0999 V2000
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    2.1148    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    3.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    5.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (200)
2189

>  <Formula> (200)
C19H19ClN6O4S3

>  <MolWeight> (200)
527.03996

>  <Cat> (200)
S1154

>  <Name> (200)
SNS-314

>  <Synonyms> (200)
N/A

>  <Target> (200)
Aurora Kinase

>  <Form> (200)
Mesylate

>  <CAS> (200)
1057249-41-8

>  <URL> (200)
http://selleckchem.com/products/sns-314-mesylate.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/02262515262D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (201)
2193

>  <Formula> (201)
C21H18O12

>  <MolWeight> (201)
462.36042

>  <Cat> (201)
S3810

>  <Name> (201)
Scutellarin

>  <Synonyms> (201)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (201)
Akt,NF-¦ÊB,STAT

>  <Form> (201)
free base

>  <CAS> (201)
27740-01-8

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

$$$$
GSK2636771.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (202)
2198

>  <Formula> (202)
C22H22F3N3O3

>  <MolWeight> (202)
433.4235896

>  <Cat> (202)
S8002

>  <Name> (202)
GSK2636771

>  <Synonyms> (202)
N/A

>  <Target> (202)
PI3K

>  <Form> (202)
free base

>  <CAS> (202)
1372540-25-4

>  <URL> (202)
http://selleckchem.com/products/gsk2636771.html

$$$$
IPI-145.cdx
csChFnd80/02262515262D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (203)
2203

>  <Formula> (203)
C22H17ClN6O

>  <MolWeight> (203)
416.86298

>  <Cat> (203)
S7028

>  <Name> (203)
Duvelisib (IPI-145)

>  <Synonyms> (203)
INK1197

>  <Target> (203)
PI3K

>  <Form> (203)
free base

>  <CAS> (203)
1201438-56-3

>  <URL> (203)
http://selleckchem.com/products/ipi-145-ink1197.html

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/02262515262D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (204)
2207

>  <Formula> (204)
C26H21N3O3

>  <MolWeight> (204)
423.46324

>  <Cat> (204)
S7086

>  <Name> (204)
IWR-1-endo

>  <Synonyms> (204)
endo-IWR 1, IWR-1

>  <Target> (204)
Wnt/beta-catenin

>  <Form> (204)
free base

>  <CAS> (204)
1127442-82-3

>  <URL> (204)
http://selleckchem.com/products/iwr-1-endo.html

$$$$
(-)-Blebbistatin.cdx
csChFnd80/02262515262D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (205)
2215

>  <Formula> (205)
C18H16N2O2

>  <MolWeight> (205)
292.33184

>  <Cat> (205)
S7099

>  <Name> (205)
(-)-Blebbistatin

>  <Synonyms> (205)
(S)-(-)-Blebbistatin

>  <Target> (205)
ATPase

>  <Form> (205)
free base

>  <CAS> (205)
856925-71-8

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

$$$$
Wnt-C59 (C59).cdx
csChFnd80/02262515262D

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>  <Mol_ID> (206)
2226

>  <Formula> (206)
C25H21N3O

>  <MolWeight> (206)
379.45374

>  <Cat> (206)
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Wnt-C59 (C59)

>  <Synonyms> (206)
N/A

>  <Target> (206)
PORCN

>  <Form> (206)
free base

>  <CAS> (206)
1243243-89-1

>  <URL> (206)
http://selleckchem.com/products/wnt-c59-c59.html

$$$$
SC79.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (207)
2233

>  <Formula> (207)
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>  <MolWeight> (207)
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>  <Cat> (207)
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>  <Name> (207)
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>  <Synonyms> (207)
N/A

>  <Target> (207)
Akt

>  <Form> (207)
free base

>  <CAS> (207)
305834-79-1

>  <URL> (207)
http://selleckchem.com/products/sc79.html

$$$$
LM-3632.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (208)
2239

>  <Formula> (208)
C31H45F6N9O12

>  <MolWeight> (208)
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>  <Cat> (208)
S7844

>  <Name> (208)
Cyclo(RGDyK)

>  <Synonyms> (208)
N/A

>  <Target> (208)
Integrin

>  <Form> (208)
ditrifluoroacetic acid

>  <CAS> (208)
250612-42-1

>  <URL> (208)
http://selleckchem.com/products/cyclo-rgdyk.html

$$$$
Dyngo-4a.cdx
csChFnd80/02262515262D

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1256493-34-1

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PI3K

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free base

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1276553-09-3

>  <URL> (210)
http://selleckchem.com/products/pf-4989216.html

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PI3K

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free base

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1627494-13-6

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http://selleckchem.com/products/azd8186.html

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>  <URL> (212)
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http://selleckchem.com/products/isoxazole-9-isx-9.html

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M  END
>  <Mol_ID> (214)
2267

>  <Formula> (214)
C39H67N5O7

>  <MolWeight> (214)
717.97858

>  <Cat> (214)
S7721

>  <Name> (214)
Monomethyl auristatin E (MMAE)

>  <Synonyms> (214)
SGD-1010

>  <Target> (214)
ADC Cytotoxin,Microtubule Associated

>  <Form> (214)
free base

>  <CAS> (214)
474645-27-7

>  <URL> (214)
http://selleckchem.com/products/monomethyl-auristatin-e-mmae.html

$$$$
AZD6738.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (215)
2276

>  <Formula> (215)
C20H24N6O2S

>  <MolWeight> (215)
412.50856

>  <Cat> (215)
S7693

>  <Name> (215)
Ceralasertib (AZD6738)

>  <Synonyms> (215)
N/A

>  <Target> (215)
ATM/ATR

>  <Form> (215)
free base

>  <CAS> (215)
1352226-88-0

>  <URL> (215)
http://selleckchem.com/products/azd6738.html

$$$$
ONC201.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (216)
2283

>  <Formula> (216)
C24H26N4O

>  <MolWeight> (216)
386.48944

>  <Cat> (216)
S7963

>  <Name> (216)
TIC10 (ONC201)

>  <Synonyms> (216)
ONC201

>  <Target> (216)
Akt,Apoptosis related,ERK,TNF-alpha

>  <Form> (216)
free base

>  <CAS> (216)
1616632-77-9

>  <URL> (216)
http://selleckchem.com/products/tic-10.html

$$$$
Akti-1.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (217)
2284

>  <Formula> (217)
C34H29N7O

>  <MolWeight> (217)
551.64036

>  <Cat> (217)
S7776

>  <Name> (217)
Akti-1/2

>  <Synonyms> (217)
Akt Inhibitor VIII

>  <Target> (217)
Akt,Apoptosis related

>  <Form> (217)
free base

>  <CAS> (217)
612847-09-3

>  <URL> (217)
http://selleckchem.com/products/akti-1-2.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/02262515262D

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>  <Mol_ID> (218)
2285

>  <Formula> (218)
C18H12BrN3O3

>  <MolWeight> (218)
398.21018

>  <Cat> (218)
S7915

>  <Name> (218)
BIO-acetoxime

>  <Synonyms> (218)
GSK-3 Inhibitor X

>  <Target> (218)
GSK-3

>  <Form> (218)
free base

>  <CAS> (218)
667463-85-6

>  <URL> (218)
http://selleckchem.com/products/bio-acetoxime.html

$$$$
AMG319.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (219)
2287

>  <Formula> (219)
C21H16FN7

>  <MolWeight> (219)
385.3970432

>  <Cat> (219)
S7813

>  <Name> (219)
AMG319

>  <Synonyms> (219)
N/A

>  <Target> (219)
PI3K

>  <Form> (219)
free base

>  <CAS> (219)
1608125-21-8

>  <URL> (219)
http://selleckchem.com/products/amg319.html

$$$$
AZD1080.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (220)
2314

>  <Formula> (220)
C19H18N4O2

>  <MolWeight> (220)
334.37182

>  <Cat> (220)
S7145

>  <Name> (220)
AZD1080

>  <Synonyms> (220)
N/A

>  <Target> (220)
GSK-3

>  <Form> (220)
free base

>  <CAS> (220)
612487-72-6

>  <URL> (220)
http://selleckchem.com/products/azd1080.html

$$$$
SKI II (SphK-I2).cdx
csChFnd80/02262515262D

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>  <Mol_ID> (221)
2318

>  <Formula> (221)
C15H11ClN2OS

>  <MolWeight> (221)
302.77864

>  <Cat> (221)
S7176

>  <Name> (221)
SKI II

>  <Synonyms> (221)
SphK-I2

>  <Target> (221)
SPHK

>  <Form> (221)
free base

>  <CAS> (221)
312636-16-1

>  <URL> (221)
http://selleckchem.com/products/ski-ii.html

$$$$
GSK2334470.cdx
csChFnd80/02262515262D

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PDPK1

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free base

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1227911-45-6

>  <URL> (222)
http://selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
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C24H26N4O

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S7127

>  <Name> (223)
TIC10 Analogue

>  <Target> (223)
Akt

>  <Form> (223)
free base

>  <CAS> (223)
41276-02-2

>  <URL> (223)
http://selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/02262515262D

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2326

>  <Formula> (224)
C16H10BrN3O2

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BIO

>  <Synonyms> (224)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime, 6-Bromoindirubin-3'-oxime, MLS 2052

>  <Target> (224)
Apoptosis related,CDK,GSK-3,JAK

>  <Form> (224)
free base

>  <CAS> (224)
667463-62-9

>  <URL> (224)
http://selleckchem.com/products/bio.html

$$$$
AZD2858.cdx
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>  <Mol_ID> (225)
2332

>  <Formula> (225)
C21H23N7O3S

>  <MolWeight> (225)
453.51742

>  <Cat> (225)
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>  <Name> (225)
AZD2858

>  <Synonyms> (225)
N/A

>  <Target> (225)
GSK-3

>  <Form> (225)
free base

>  <CAS> (225)
486424-20-8

>  <URL> (225)
http://selleckchem.com/products/azd2858.html

$$$$
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csChFnd80/02262515262D

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M  END
>  <Mol_ID> (226)
2336

>  <Formula> (226)
C26H27N5O5S2

>  <MolWeight> (226)
553.65308

>  <Cat> (226)
S7207

>  <Name> (226)
Bisindolylmaleimide IX (Ro 31-8220 Mesylate)

>  <Synonyms> (226)
Bisindolylmaleimide IX Mesylate

>  <Target> (226)
PKC

>  <Form> (226)
Mesylate

>  <CAS> (226)
138489-18-6

>  <URL> (226)
http://selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
CZC24832.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (227)
2338

>  <Formula> (227)
C15H17FN6O2S

>  <MolWeight> (227)
364.3978832

>  <Cat> (227)
S7018

>  <Name> (227)
CZC24832

>  <Synonyms> (227)
N/A

>  <Target> (227)
PI3K

>  <Form> (227)
free base

>  <CAS> (227)
1159824-67-5

>  <URL> (227)
http://selleckchem.com/products/czc24832.html

$$$$
Carbenoxolone disodiuM.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (228)
2357

>  <Formula> (228)
C34H48Na2O7

>  <MolWeight> (228)
614.72026

>  <Cat> (228)
S4368

>  <Name> (228)
Carbenoxolone Sodium

>  <Synonyms> (228)
N/A

>  <Target> (228)
Others

>  <Form> (228)
disodiuM

>  <CAS> (228)
7421-40-1

>  <URL> (228)
http://www.selleckchem.com/products/carbenoxolone-sodium.html

$$$$
Mdivi-1.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (229)
2405

>  <Formula> (229)
C15H10Cl2N2O2S

>  <MolWeight> (229)
353.2231

>  <Cat> (229)
S7162

>  <Name> (229)
Mdivi-1

>  <Synonyms> (229)
Mitochondrial division inhibitor 1

>  <Target> (229)
Apoptosis related,Dynamin,Mitophagy

>  <Form> (229)
free base

>  <CAS> (229)
338967-87-6

>  <URL> (229)
http://selleckchem.com/products/mdivi-1.html

$$$$
PF-562271.cdx
csChFnd80/02262515262D

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2412

>  <Formula> (230)
C21H21ClF3N7O3S

>  <MolWeight> (230)
543.9497496

>  <Cat> (230)
S7357

>  <Name> (230)
PF-562271 HCl

>  <Synonyms> (230)
N/A

>  <Target> (230)
CDK,FAK,Pyk2

>  <Form> (230)
Hydrochloride

>  <CAS> (230)
939791-41-0

>  <URL> (230)
http://selleckchem.com/products/pf-562271-hcl.html

$$$$
WZ4003.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (231)
2415

>  <Formula> (231)
C25H29ClN6O3

>  <MolWeight> (231)
496.98916

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S7317

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WZ4003

>  <Synonyms> (231)
N/A

>  <Target> (231)
AMPK

>  <Form> (231)
free base

>  <CAS> (231)
1214265-58-3

>  <URL> (231)
http://selleckchem.com/products/wz4003.html

$$$$
LGK-974.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (232)
2420

>  <Formula> (232)
C23H20N6O

>  <MolWeight> (232)
396.4445

>  <Cat> (232)
S7143

>  <Name> (232)
LGK-974

>  <Synonyms> (232)
NVP-LGK974, WNT974

>  <Target> (232)
PORCN

>  <Form> (232)
free base

>  <CAS> (232)
1243244-14-5

>  <URL> (232)
http://selleckchem.com/products/lgk-974.html

$$$$
AZ20.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (233)
2423

>  <Formula> (233)
C21H24N4O3S

>  <MolWeight> (233)
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AZ20

>  <Synonyms> (233)
N/A

>  <Target> (233)
ATM/ATR

>  <Form> (233)
free base

>  <CAS> (233)
1233339-22-4

>  <URL> (233)
http://selleckchem.com/products/az20.html

$$$$
LM-3096 IWP L6.cdx
csChFnd80/02262515262D

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free base

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487021-52-3

>  <URL> (235)
http://selleckchem.com/products/A014418.html

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885325-71-3

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2452

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C15H10BrN3O

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328.1634

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S7193

>  <Name> (239)
1-Azakenpaullone

>  <Synonyms> (239)
1-Akp

>  <Target> (239)
GSK-3

>  <Form> (239)
free base

>  <CAS> (239)
676596-65-9

>  <URL> (239)
http://selleckchem.com/products/1-azakenpaullone.html

$$$$
VER-49009.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (240)
2463

>  <Formula> (240)
C19H18ClN3O4

>  <MolWeight> (240)
387.81692

>  <Cat> (240)
S7458

>  <Name> (240)
VER-49009

>  <Synonyms> (240)
CCT0129397

>  <Target> (240)
HSP (HSP90)

>  <Form> (240)
free base

>  <CAS> (240)
940289-57-6

>  <URL> (240)
http://selleckchem.com/products/ver-49009.html

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csChFnd80/02262515262D

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>  <Mol_ID> (241)
2469

>  <Formula> (241)
C11H9FN6

>  <MolWeight> (241)
244.2277632

>  <Cat> (241)
S7421

>  <Name> (241)
CGP 57380

>  <Synonyms> (241)
N/A

>  <Target> (241)
Apoptosis related,MNK,Wnt/beta-catenin

>  <Form> (241)
free base

>  <CAS> (241)
522629-08-9

>  <URL> (241)
http://selleckchem.com/products/cgp57380.html

$$$$
NMS-E973.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (242)
2473

>  <Formula> (242)
C22H22N4O7

>  <MolWeight> (242)
454.43268

>  <Cat> (242)
S7282

>  <Name> (242)
NMS-E973

>  <Synonyms> (242)
N/A

>  <Target> (242)
HSP (HSP90)

>  <Form> (242)
free base

>  <CAS> (242)
1253584-84-7

>  <URL> (242)
http://selleckchem.com/products/nms-e973.html

$$$$
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csChFnd80/02262515262D

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HSP (HSP90)

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free base

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959763-06-5

>  <URL> (247)
http://selleckchem.com/products/ch5138303.html

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N/A

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PARP,Wnt/beta-catenin

>  <Form> (248)
free base

>  <CAS> (248)
838818-26-1

>  <URL> (248)
http://selleckchem.com/products/wiki4.html

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2495

>  <Formula> (249)
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S7459

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VER-50589

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N/A

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HSP (HSP90)

>  <Form> (249)
free base

>  <CAS> (249)
747413-08-7

>  <URL> (249)
http://selleckchem.com/products/ver-50589.html

$$$$
INH1.cdx
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free base

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313553-47-8

>  <URL> (250)
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1001753-24-7

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>  <Mol_ID> (252)
2517

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C25H30N8OS

>  <MolWeight> (252)
490.6237

>  <Cat> (252)
S7094

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PF-3758309

>  <Synonyms> (252)
PF-03758309

>  <Target> (252)
Apoptosis related,PAK

>  <Form> (252)
free base

>  <CAS> (252)
898044-15-0

>  <URL> (252)
http://selleckchem.com/products/pf-3758309.html

$$$$
FH535.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (253)
2519

>  <Formula> (253)
C13H10Cl2N2O4S

>  <MolWeight> (253)
361.2005

>  <Cat> (253)
S7484

>  <Name> (253)
FH535

>  <Synonyms> (253)
N/A

>  <Target> (253)
PPAR,Wnt/beta-catenin

>  <Form> (253)
free base

>  <CAS> (253)
108409-83-2

>  <URL> (253)
http://selleckchem.com/products/fh535.html

$$$$
PD173955 .cdx
csChFnd80/02262515262D

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>  <Mol_ID> (254)
2530

>  <Formula> (254)
C21H18Cl2N4OS

>  <MolWeight> (254)
445.36482

>  <Cat> (254)
S7269

>  <Name> (254)
PD173955

>  <Synonyms> (254)
N/A

>  <Target> (254)
Bcr-Abl

>  <Form> (254)
free base

>  <CAS> (254)
260415-63-2

>  <URL> (254)
http://selleckchem.com/products/pd173955.html

$$$$
Go6976.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (255)
2537

>  <Formula> (255)
C24H18N4O

>  <MolWeight> (255)
378.42592

>  <Cat> (255)
S7119

>  <Name> (255)
Go6976

>  <Synonyms> (255)
PD406976

>  <Target> (255)
FLT3,JAK,PKC

>  <Form> (255)
free base

>  <CAS> (255)
136194-77-9

>  <URL> (255)
http://selleckchem.com/products/go6976.html

$$$$
SF1670 (PTEN inhibitor).cdx
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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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 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (256)
2541

>  <Formula> (256)
C19H17NO3

>  <MolWeight> (256)
307.34318

>  <Cat> (256)
S7310

>  <Name> (256)
SF1670

>  <Synonyms> (256)
N/A

>  <Target> (256)
PTEN

>  <Form> (256)
free base

>  <CAS> (256)
345630-40-2

>  <URL> (256)
http://selleckchem.com/products/sf1670.html

$$$$
IM-12.cdx
csChFnd80/02262515262D

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 18  8  1  0  0  0  0
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 10 28  1  0  0  0  0
M  END
>  <Mol_ID> (257)
2542

>  <Formula> (257)
C22H20FN3O2

>  <MolWeight> (257)
377.4115032

>  <Cat> (257)
S7566

>  <Name> (257)
IM-12

>  <Synonyms> (257)
N/A

>  <Target> (257)
GSK-3

>  <Form> (257)
free base

>  <CAS> (257)
1129669-05-1

>  <URL> (257)
http://selleckchem.com/products/im-12.html

$$$$
NVP-HSP990(HSP990) .cdx
csChFnd80/02262515262D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (258)
2544

>  <Formula> (258)
C20H18FN5O2

>  <MolWeight> (258)
379.3876232

>  <Cat> (258)
S7097

>  <Name> (258)
HSP990 (NVP-HSP990)

>  <Synonyms> (258)
N/A

>  <Target> (258)
Apoptosis related,HSP (HSP90)

>  <Form> (258)
free base

>  <CAS> (258)
934343-74-5

>  <URL> (258)
http://selleckchem.com/products/hsp990-nvp-hsp990.html

$$$$
ARQ 621.cdx
csChFnd80/02262515262D

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 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (259)
2548

>  <Formula> (259)
C28H24Cl2FN5O2

>  <MolWeight> (259)
552.4268632

>  <Cat> (259)
S7355

>  <Name> (259)
ARQ 621

>  <Synonyms> (259)
N/A

>  <Target> (259)
Kinesin

>  <Form> (259)
free base

>  <CAS> (259)
1095253-39-6

>  <URL> (259)
http://selleckchem.com/products/arq-621.html

$$$$
URMC-099.cdx
csChFnd80/02262515262D

 32 37  0  0  0  0  0  0  0  0999 V2000
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Autophagy,Bcr-Abl,LRRK2,Mixed Lineage Kinase

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free base

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1229582-33-5

>  <URL> (260)
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N/A

>  <Target> (261)
PI3K

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free base

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1246560-33-7

>  <URL> (261)
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GO 6850

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PKC

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free base

>  <CAS> (262)
133052-90-1

>  <URL> (262)
http://selleckchem.com/products/gf109203x.html

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free base

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656820-32-5

>  <URL> (263)
http://selleckchem.com/products/reversine.html

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2613

>  <Formula> (265)
C22H21F3N6O3S

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>  <Name> (265)
PF-431396

>  <Synonyms> (265)
N/A

>  <Target> (265)
FAK,Pyk2

>  <Form> (265)
free base

>  <CAS> (265)
717906-29-1

>  <URL> (265)
http://selleckchem.com/products/pf-431396.html

$$$$
PND-1186 (VS-471).cdx
csChFnd80/02262515262D

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>  <Mol_ID> (266)
2615

>  <Formula> (266)
C25H26F3N5O3

>  <MolWeight> (266)
501.5008496

>  <Cat> (266)
S7653

>  <Name> (266)
PND-1186 (VS-4718)

>  <Synonyms> (266)
SR-2156

>  <Target> (266)
Apoptosis related,FAK

>  <Form> (266)
free base

>  <CAS> (266)
1061353-68-1

>  <URL> (266)
http://selleckchem.com/products/pnd-1186-vs-4718.html

$$$$
TAI-1.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (267)
2616

>  <Formula> (267)
C24H21N3O3S

>  <MolWeight> (267)
431.50684

>  <Cat> (267)
S7495

>  <Name> (267)
TAI-1

>  <Synonyms> (267)
N/A

>  <Target> (267)
Microtubule Associated

>  <Form> (267)
free base

>  <CAS> (267)
1334921-03-7

>  <URL> (267)
http://selleckchem.com/products/tai-1.html

$$$$
PI-3065.cdx
csChFnd80/02262515262D

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Docetaxel Trihydrate

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RP56976 (NSC 628503) Trihydrate

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Microtubule Associated

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Trihydrate

>  <CAS> (272)
148408-66-6

>  <URL> (272)
http://selleckchem.com/products/docetaxel-trihydrate.html

$$$$
LM-3573.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (273)
2656

>  <Formula> (273)
C22H28ClN7O3S

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506.02082

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S7782

>  <Name> (273)
Dasatinib Monohydrate

>  <Synonyms> (273)
BMS-354825 Monohydrate

>  <Target> (273)
Bcr-Abl,c-Kit,Src

>  <Form> (273)
Monohydrate

>  <CAS> (273)
863127-77-9

>  <URL> (273)
http://selleckchem.com/products/dasatinib-monohydrate.html

$$$$
FRAX597.cdx
csChFnd80/02262515262D

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2664

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C29H28ClN7OS

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FRAX597

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N/A

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PAK

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free base

>  <CAS> (274)
1286739-19-2

>  <URL> (274)
http://selleckchem.com/products/frax597.html

$$$$
Combretastatin A4.cdx
csChFnd80/02262515262D

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2665

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C18H20O5

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>  <Cat> (275)
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Combretastatin A4

>  <Synonyms> (275)
N/A

>  <Target> (275)
Microtubule Associated

>  <Form> (275)
free base

>  <CAS> (275)
117048-59-6

>  <URL> (275)
http://selleckchem.com/products/combretastatin-a4.html

$$$$
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>  <URL> (277)
http://selleckchem.com/products/gne-317.html

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Autophagy,mTOR

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free base

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326914-06-1

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http://selleckchem.com/products/mhy1485.html

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330161-87-0

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>  <Target> (281)
Integrin

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free base

>  <CAS> (281)
500577-51-5

>  <URL> (281)
http://selleckchem.com/products/cyclo-rgdfk.html

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Pilaralisib (XL147)

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>  <Target> (282)
PI3K

>  <Form> (282)
free base

>  <CAS> (282)
934526-89-3

>  <URL> (282)
http://selleckchem.com/products/pilaralisib-xl147.html

$$$$
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>  <Formula> (283)
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>  <MolWeight> (283)
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>  <Cat> (283)
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>  <Name> (283)
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>  <Synonyms> (283)
C07

>  <Target> (283)
Autophagy,HSP (HSP90)

>  <Form> (283)
free base

>  <CAS> (283)
1134156-31-2

>  <URL> (283)
http://selleckchem.com/products/ver155008.html

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AMPK

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free base

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1613724-42-7

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http://selleckchem.com/products/hth-01-015.html

$$$$
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Cilengitide?trifluoroacetate

>  <Synonyms> (285)
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Integrin

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Trifluoroacetat

>  <CAS> (285)
199807-35-7

>  <URL> (285)
http://selleckchem.com/products/cilengitide-emd-121974-nsc-707544.html

$$$$
GSK621.cdx
csChFnd80/02262515262D

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1346607-05-3

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http://selleckchem.com/products/gsk621.html

$$$$
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mTOR,PI3K

>  <Form> (287)
free base

>  <CAS> (287)
934493-76-2

>  <URL> (287)
http://selleckchem.com/products/voxtalisib-xl765-sar245409.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (288)
2743

>  <Formula> (288)
C15H23ClFN3O4S

>  <MolWeight> (288)
395.8772232

>  <Cat> (288)
S7995

>  <Name> (288)
Ripasudil (K-115) hydrochloride dihydrate

>  <Synonyms> (288)
N/A

>  <Target> (288)
ROCK

>  <Form> (288)
Hydrochloride dihydrate

>  <CAS> (288)
887375-67-9

>  <URL> (288)
http://selleckchem.com/products/ripasudil-k-115.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/02262515262D

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>  <Mol_ID> (289)
2747

>  <Formula> (289)
C26H24N6O2

>  <MolWeight> (289)
452.50776

>  <Cat> (289)
S7936

>  <Name> (289)
Belumosudil (KD025)

>  <Synonyms> (289)
SLx-2119

>  <Target> (289)
ROCK

>  <Form> (289)
free base

>  <CAS> (289)
911417-87-3

>  <URL> (289)
http://selleckchem.com/products/kd025-(slx-2119).html

$$$$
CC-223.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (290)
2751

>  <Formula> (290)
C21H27N5O3

>  <MolWeight> (290)
397.47078

>  <Cat> (290)
S7886

>  <Name> (290)
Onatasertib (CC 223)

>  <Synonyms> (290)
ATG-008

>  <Target> (290)
mTOR

>  <Form> (290)
free base

>  <CAS> (290)
1228013-30-6

>  <URL> (290)
http://selleckchem.com/products/cc-223.html

$$$$
GSK2141795.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (291)
2756

>  <Formula> (291)
C18H16Cl2F2N4O2

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>  <Name> (291)
Uprosertib (GSK2141795)

>  <Synonyms> (291)
GSK795

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Akt

>  <Form> (291)
free base

>  <CAS> (291)
1047634-65-0

>  <URL> (291)
http://selleckchem.com/products/gsk2141795.html

$$$$
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>  <Mol_ID> (292)
2758

>  <Formula> (292)
C21H24ClN7O

>  <MolWeight> (292)
425.91456

>  <Cat> (292)
S7980

>  <Name> (292)
VPS34-IN1

>  <Synonyms> (292)
Vps34-IN-1

>  <Target> (292)
Autophagy,PI3K

>  <Form> (292)
free base

>  <CAS> (292)
1383716-33-3

>  <URL> (292)
http://selleckchem.com/products/vps34-in1.html

$$$$
Kenpaullone.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (293)
2760

>  <Formula> (293)
C16H11BrN2O

>  <MolWeight> (293)
327.17534

>  <Cat> (293)
S7917

>  <Name> (293)
Kenpaullone

>  <Synonyms> (293)
9-Bromopaullone, NSC-664704

>  <Target> (293)
CDK

>  <Form> (293)
free base

>  <CAS> (293)
142273-20-9

>  <URL> (293)
http://selleckchem.com/products/kenpaullone.html

$$$$
PIK-III.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (294)
2764

>  <Formula> (294)
C17H17N7

>  <MolWeight> (294)
319.36378

>  <Cat> (294)
S7683

>  <Name> (294)
PIK-III

>  <Synonyms> (294)
VPS34-IN2

>  <Target> (294)
Autophagy,LC3,PI3K

>  <Form> (294)
free base

>  <CAS> (294)
1383716-40-2

>  <URL> (294)
http://selleckchem.com/products/pik-iii.html

$$$$
ETC-1002.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (295)
2768

>  <Formula> (295)
C19H36O5

>  <MolWeight> (295)
344.48614

>  <Cat> (295)
S7953

>  <Name> (295)
ETC-1002

>  <Synonyms> (295)
Bempedoic acid, ESP-55016

>  <Target> (295)
AMPK,ATP-citrate lyase,LDL

>  <Form> (295)
free base

>  <CAS> (295)
738606-46-7

>  <URL> (295)
http://selleckchem.com/products/etc-1002.html

$$$$
TRx0237 (LMTX).cdx
csChFnd80/02262515262D

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>  <Mol_ID> (296)
2789

>  <Formula> (296)
C18H27N3O6S3

>  <MolWeight> (296)
477.61848

>  <Cat> (296)
S7762

>  <Name> (296)
TRx0237 (LMTX) mesylate

>  <Synonyms> (296)
Hydromethylthionine mesylate

>  <Target> (296)
Microtubule Associated

>  <Form> (296)
Dimesylate

>  <CAS> (296)
1236208-20-0

>  <URL> (296)
http://selleckchem.com/products/trx0237-lmtx-mesylate.html

$$$$
LY333531.cdx
csChFnd80/02262515262D

 36 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (297)
2797

>  <Formula> (297)
C28H29ClN4O3

>  <MolWeight> (297)
505.00786

>  <Cat> (297)
S7663

>  <Name> (297)
Ruboxistaurin (LY333531) HCl

>  <Synonyms> (297)
Ruboxistaurin hydrochloride,  LY333531 hydrochloride

>  <Target> (297)
PKC

>  <Form> (297)
hydrochloride

>  <CAS> (297)
169939-93-9

>  <URL> (297)
http://selleckchem.com/products/ly333531.html

$$$$
FRAX486.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (298)
2798

>  <Formula> (298)
C25H23Cl2FN6O

>  <MolWeight> (298)
513.3941232

>  <Cat> (298)
S7807

>  <Name> (298)
FRAX486

>  <Synonyms> (298)
N/A

>  <Target> (298)
PAK

>  <Form> (298)
free base

>  <CAS> (298)
1232030-35-1

>  <URL> (298)
http://selleckchem.com/products/frax486.html

$$$$
AZD8835.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (299)
2801

>  <Formula> (299)
C22H31N9O3

>  <MolWeight> (299)
469.54004

>  <Cat> (299)
S7966

>  <Name> (299)
AZD8835

>  <Synonyms> (299)
N/A

>  <Target> (299)
PI3K

>  <Form> (299)
free base

>  <CAS> (299)
1620576-64-8

>  <URL> (299)
http://selleckchem.com/products/azd8835.html

$$$$
GSK269962.cdx
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M  END
>  <Mol_ID> (300)
2813

>  <Formula> (300)
C29H31ClN8O5

>  <MolWeight> (300)
607.06004

>  <Cat> (300)
S7687

>  <Name> (300)
GSK269962A HCl

>  <Synonyms> (300)
GSK269962B, GSK269962, GSK 269962

>  <Target> (300)
ROCK

>  <Form> (300)
hydrochloride

>  <CAS> (300)
2095432-71-4

>  <URL> (300)
http://selleckchem.com/products/gsk269962.html

$$$$
CC-115.cdx
csChFnd80/02262515262D

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 25  7  1  0  0  0  0
M  END
>  <Mol_ID> (301)
2817

>  <Formula> (301)
C16H16N8O

>  <MolWeight> (301)
336.35124

>  <Cat> (301)
S7891

>  <Name> (301)
CC-115

>  <Synonyms> (301)
N/A

>  <Target> (301)
DNA-PK,mTOR

>  <Form> (301)
free base

>  <CAS> (301)
1228013-15-7

>  <URL> (301)
http://selleckchem.com/products/cc-115.html

$$$$
Y-39983 HCl.cdx
csChFnd80/02262515262D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (302)
2818

>  <Formula> (302)
C16H18Cl2N4O

>  <MolWeight> (302)
353.24632

>  <Cat> (302)
S7935

>  <Name> (302)
Y-39983 HCl

>  <Synonyms> (302)
Y-33075 HCl

>  <Target> (302)
ROCK

>  <Form> (302)
dihydrochloride

>  <CAS> (302)
173897-44-4

>  <URL> (302)
http://selleckchem.com/products/y-39983-hcl.html

$$$$
GSK2269557.cdx
csChFnd80/02262515262D

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 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (303)
2822

>  <Formula> (303)
C26H28N6O

>  <MolWeight> (303)
440.54012

>  <Cat> (303)
S7937

>  <Name> (303)
Nemiralisib

>  <Synonyms> (303)
GSK2269557

>  <Target> (303)
PI3K

>  <Form> (303)
free base

>  <CAS> (303)
1254036-71-9

>  <URL> (303)
http://selleckchem.com/products/gsk2269557.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (304)
2837

>  <Formula> (304)
C19H15N3O2

>  <MolWeight> (304)
317.3413

>  <Cat> (304)
S7954

>  <Name> (304)
CP21R7 (CP21)

>  <Synonyms> (304)
N/A

>  <Target> (304)
GSK-3,Wnt/beta-catenin

>  <Form> (304)
free base

>  <CAS> (304)
125314-13-8

>  <URL> (304)
http://selleckchem.com/products/cp21r7-cp21.html

$$$$
S5144 Neferine.cdx
csChFnd80/02262515262D

 46 51  0  0  0  0  0  0  0  0999 V2000
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    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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
    0.0000    4.9000    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 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
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    6.3000    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
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    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  0  0  0  0  0  0  0  0  0  0
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   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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  6  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
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 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
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 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  2  0  0  0  0
 26 30  1  0  0  0  0
 28 31  1  0  0  0  0
 32 29  1  6  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  2  0  0  0  0
 33 36  1  0  0  0  0
 34 37  1  0  0  0  0
 34 38  1  0  0  0  0
 35 39  1  0  0  0  0
 35 40  1  0  0  0  0
 36 41  2  0  0  0  0
 37 40  1  0  0  0  0
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 43 45  1  0  0  0  0
 44 46  1  0  0  0  0
M  END
>  <Mol_ID> (305)
2858

>  <Formula> (305)
C38H44N2O6

>  <MolWeight> (305)
624.76576

>  <Cat> (305)
S5144

>  <Name> (305)
Neferine

>  <Synonyms> (305)
(R)-1,2-Dimethoxyaporphine

>  <Target> (305)
Akt,Apoptosis related,Autophagy,HIV,NF-¦ÊB,Nrf2

>  <Form> (305)
free base

>  <CAS> (305)
2292-16-2

>  <URL> (305)
http://selleckchem.com/products/neferine.html

$$$$
IPI-3063.cdx
csChFnd80/02262515262D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 16  7  1  0  0  0  0
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 28 34  1  0  0  0  0
 32 33  3  0  0  0  0
M  END
>  <Mol_ID> (306)
2870

>  <Formula> (306)
C25H25N7O2

>  <MolWeight> (306)
455.5117

>  <Cat> (306)
S7335

>  <Name> (306)
IPI-3063

>  <Synonyms> (306)
N/A

>  <Target> (306)
PI3K

>  <Form> (306)
free base

>  <CAS> (306)
1425043-73-7

>  <URL> (306)
http://selleckchem.com/products/ipi-3063.html

$$$$
S5321 Y15.cdx
csChFnd80/02262515262D

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    0.0000   10.4001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
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  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (307)
3001

>  <Formula> (307)
C6H14Cl4N4

>  <MolWeight> (307)
284.01416

>  <Cat> (307)
S5321

>  <Name> (307)
Y15

>  <Synonyms> (307)
1,2,4,5-Benzenetetraamine tetrahydrochloride, FAK inhibitor 14

>  <Target> (307)
FAK

>  <Form> (307)
tetrahydrochloride

>  <CAS> (307)
4506-66-5

>  <URL> (307)
http://selleckchem.com/products/y15.html

$$$$
S5313 SC66.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (308)
3012

>  <Formula> (308)
C18H16N2O

>  <MolWeight> (308)
276.33244

>  <Cat> (308)
S5313

>  <Name> (308)
SC66

>  <Synonyms> (308)
N/A

>  <Target> (308)
Akt

>  <Form> (308)
free base

>  <CAS> (308)
871361-88-5

>  <URL> (308)
http://selleckchem.com/products/sc66.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/02262515262D

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    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> (309)
3062

>  <Formula> (309)
C21H28O2

>  <MolWeight> (309)
312.44582

>  <Cat> (309)
S3792

>  <Name> (309)
Guggulsterone E&Z

>  <Synonyms> (309)
N/A

>  <Target> (309)
FXR

>  <Form> (309)
free base

>  <CAS> (309)
95975-55-6

>  <URL> (309)
http://selleckchem.com/products/guggulsterone.html

$$$$
S5256 Benproperine phosphate.cdx
csChFnd80/02262515262D

 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> (310)
3093

>  <Formula> (310)
C21H30NO5P

>  <MolWeight> (310)
407.440361

>  <Cat> (310)
S5256

>  <Name> (310)
Benproperine phosphate

>  <Synonyms> (310)
Blascorid, Pirexyl phosphate

>  <Target> (310)
Actin,Microtubule Associated

>  <Form> (310)
phosphate

>  <CAS> (310)
19428-14-9

>  <URL> (310)
http://selleckchem.com/products/benproperine-phosphate.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/02262515262D

 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> (311)
3112

>  <Formula> (311)
C22H42O2

>  <MolWeight> (311)
338.56768

>  <Cat> (311)
S5383

>  <Name> (311)
Erucic acid

>  <Synonyms> (311)
cis-13-docosenoic acid

>  <Target> (311)
PI3K

>  <Form> (311)
free base

>  <CAS> (311)
112-86-7

>  <URL> (311)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5422 Trimethyloctadecylammonium bromide.cdx
csChFnd80/02262515262D

 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> (312)
3119

>  <Formula> (312)
C21H46BrN

>  <MolWeight> (312)
392.50064

>  <Cat> (312)
S5422

>  <Name> (312)
Trimethyloctadecylammonium bromide

>  <Synonyms> (312)
Octadecyltrimethylammonium bromide, OcTMAB, C18TAB

>  <Target> (312)
Dynamin

>  <Form> (312)
bromide

>  <CAS> (312)
1120-02-1

>  <URL> (312)
http://selleckchem.com/products/trimethyloctadecylammonium-bromide.html

$$$$
S5440 Berberine Sulfate.cdx
csChFnd80/02262515262D

 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
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 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> (313)
3132

>  <Formula> (313)
C20H19NO8S

>  <MolWeight> (313)
433.43176

>  <Cat> (313)
S5440

>  <Name> (313)
Berberine Sulfate

>  <Synonyms> (313)
Umbellatine Sulfate

>  <Target> (313)
Bacterial

>  <Form> (313)
sulfate

>  <CAS> (313)
633-66-9

>  <URL> (313)
http://selleckchem.com/products/berberine-sulfate.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/02262515262D

 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
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   10.9320    1.4171    0.0000 C   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
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   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
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  1  4  1  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
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 11 14  1  0  0  0  0
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 15 18  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (314)
3141

>  <Formula> (314)
C20H20O4

>  <MolWeight> (314)
324.3704

>  <Cat> (314)
S5456

>  <Name> (314)
Isobavachalcone

>  <Synonyms> (314)
Corylifolinin

>  <Target> (314)
Bacterial

>  <Form> (314)
free base

>  <CAS> (314)
20784-50-3

>  <URL> (314)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/02262515262D

 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
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   12.1258    7.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1259    6.3082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 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
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 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> (315)
3143

>  <Formula> (315)
C29H36O15

>  <MolWeight> (315)
624.58714

>  <Cat> (315)
S5458

>  <Name> (315)
Verbascoside

>  <Synonyms> (315)
Acteoside, Kusaginin

>  <Target> (315)
Immunology & Inflammation related

>  <Form> (315)
free base

>  <CAS> (315)
61276-17-3

>  <URL> (315)
http://selleckchem.com/products/verbascoside.html

$$$$
S5522 S-Trityl-L-cysteine.cdx
csChFnd80/02262515262D

 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
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    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
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  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
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 10 21  2  0  0  0  0
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 22 23  2  0  0  0  0
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 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> (316)
3165

>  <Formula> (316)
C22H21NO2S

>  <MolWeight> (316)
363.47264

>  <Cat> (316)
S5522

>  <Name> (316)
H-Cys(Trt)-OH

>  <Synonyms> (316)
L-Cys(Trt)-OH, H-L-Cys(Trt)-OH, S-Tritylcysteine

>  <Target> (316)
Kinesin

>  <Form> (316)
free base

>  <CAS> (316)
2799-07-7

>  <URL> (316)
http://selleckchem.com/products/h-cys-trt-oh.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/02262515262D

 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
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   25.3415   15.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   29.9155   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.9075   15.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0519   12.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2088    5.6117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5577    2.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.5577    0.7048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4975    4.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7021    2.1011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2804    3.5108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4975    1.3966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9193    1.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2804    2.1011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0637    4.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4975    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0637    1.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.5586   16.1173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2136   14.0159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   11.9148    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
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  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
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  4 11  1  0  0  0  0
  6 12  1  1  0  0  0
  6 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  1  0  0  0
  9 15  1  0  0  0  0
  9 13  1  0  0  0  0
  9 71  1  6  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  1  0  0  0
 16 19  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 72  1  1  0  0  0
 20 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  1  0  0  0
 29 28  1  1  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  6  0  0  0
 33 36  1  1  0  0  0
 33 34  1  0  0  0  0
 34 37  1  6  0  0  0
 38 37  1  1  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  6  0  0  0
 42 45  1  1  0  0  0
 42 43  1  0  0  0  0
 43 46  1  6  0  0  0
 47 46  1  1  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 48 50  1  0  0  0  0
 49 51  1  0  0  0  0
 50 52  1  0  0  0  0
 50 53  1  6  0  0  0
 51 54  1  1  0  0  0
 51 52  1  0  0  0  0
 52 55  1  6  0  0  0
 53 56  1  0  0  0  0
 57 55  1  1  0  0  0
 56 58  1  0  0  0  0
 56 59  2  0  0  0  0
 57 60  1  0  0  0  0
 57 61  1  0  0  0  0
 60 62  1  0  0  0  0
 61 63  1  0  0  0  0
 61 64  1  6  0  0  0
 62 65  1  0  0  0  0
 62 66  1  1  0  0  0
 63 67  1  1  0  0  0
 63 65  1  0  0  0  0
 65 68  1  6  0  0  0
 66 69  1  0  0  0  0
M  END
>  <Mol_ID> (317)
3179

>  <Formula> (317)
C49H76O20

>  <MolWeight> (317)
985.11574

>  <Cat> (317)
S5554

>  <Name> (317)
Lanatoside C

>  <Synonyms> (317)
N/A

>  <Target> (317)
Akt,Antiviral,Apoptosis related,Autophagy,JAK,mTOR,PI3K,STAT,Wnt/beta-catenin

>  <Form> (317)
free base

>  <CAS> (317)
17575-22-3

>  <URL> (317)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/02262515262D

 40 43  0  0  0  0  0  0  0  0999 V2000
   12.1246    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.7998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    2.7998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.6998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.8997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9744    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7619    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    7.6998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9744    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.3331    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7024    0.4164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4024    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4657    2.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   21.3135    4.2145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
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 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 37  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 37  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 38  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (318)
3216

>  <Formula> (318)
C28H23ClF3N7O

>  <MolWeight> (318)
565.9767296

>  <Cat> (318)
S5205

>  <Name> (318)
Nilotinib hydrochloride

>  <Synonyms> (318)
AMN-107 HCl

>  <Target> (318)
Bcr-Abl

>  <Form> (318)
hydrochloride

>  <CAS> (318)
923288-95-3

>  <URL> (318)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5369 Ethoxyquin.cdx
csChFnd80/02262515262D

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.6156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9659    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8658    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (319)
3229

>  <Formula> (319)
C14H19NO

>  <MolWeight> (319)
217.30676

>  <Cat> (319)
S5369

>  <Name> (319)
Ethoxyquin

>  <Synonyms> (319)
Santoquin, Santoflex, Quinol

>  <Target> (319)
HSP (HSP90)

>  <Form> (319)
free base

>  <CAS> (319)
91-53-2

>  <URL> (319)
http://selleckchem.com/products/ethoxyquin.html

$$$$

csChFnd80/02262515262D

 25 26  0  0  0  0  0  0  0  0999 V2000
   10.0300    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    5.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    4.8615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6673    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6052    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8770    1.0781    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    2.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1138    3.3309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    2.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9618    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    1.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8798    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    2.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    1.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3047    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  3  8  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
 10 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
 11 15  1  0  0  0  0
  9 13  1  0  0  0  0
  7  9  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
>  <Mol_ID> (320)
3305

>  <Formula> (320)
C18H22ClN5S

>  <MolWeight> (320)
375.91878

>  <Cat> (320)
S5919

>  <Name> (320)
KHS101 hydrochloride

>  <Synonyms> (320)
N/A

>  <Target> (320)
Microtubule Associated,TACC3

>  <Form> (320)
hydrochloride

>  <CAS> (320)
1784282-12-7

>  <URL> (320)
http://www.selleckchem.com/products/khs101-hydrochloride.html

$$$$

csChFnd80/02262515262D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.9089    1.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8440    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3426    2.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5401    0.7512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2090    1.6465    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6051    1.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8985    3.1653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6828    3.8672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    2.9277    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4286    2.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4286    0.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    0.1266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    2.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8181    4.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355    5.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6673    6.0804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2574    5.8271    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
  5  6  1  0  0  0  0
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  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
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 17 18  2  0  0  0  0
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  8 17  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (321)
3316

>  <Formula> (321)
C13H15N3O2S

>  <MolWeight> (321)
277.3421

>  <Cat> (321)
S5933

>  <Name> (321)
K 858

>  <Synonyms> (321)
N/A

>  <Target> (321)
Kinesin

>  <Form> (321)
Free Base

>  <CAS> (321)
72926-24-0

>  <URL> (321)
http://www.selleckchem.com/products/k858.html

$$$$

csChFnd80/02262515262D

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.1249    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
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  2  6  1  0  0  0  0
  2 22  1  0  0  0  0
M  END
>  <Mol_ID> (322)
3318

>  <Formula> (322)
C19H33NO2

>  <MolWeight> (322)
307.47082

>  <Cat> (322)
S5950

>  <Name> (322)
Fingolimod

>  <Synonyms> (322)
FTY-720A, FTY-720

>  <Target> (322)
S1P Receptor

>  <Form> (322)
Free Base

>  <CAS> (322)
162359-55-9

>  <URL> (322)
https://www.selleckchem.com/products/fingolimod.html

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/02262515262D

 34 36  0  0  0  0  0  0  0  0999 V2000
   13.4033    2.6178    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2707    4.5796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6401    4.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    3.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7324    3.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3019    2.2329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.4872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9477    4.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.1629    5.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7323    4.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9094    3.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5171    3.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6942    2.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2011    6.9097    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.3687    0.0000    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
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  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
 10 16  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
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 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
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 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> (323)
3412

>  <Formula> (323)
C22H27Cl2N7O2S

>  <MolWeight> (323)
524.46648

>  <Cat> (323)
S5254

>  <Name> (323)
Dasatinib hydrochloride

>  <Synonyms> (323)
BMS-354825 HCl

>  <Target> (323)
Bcr-Abl,kit,Src

>  <Form> (323)
hydrochloride

>  <CAS> (323)
854001-07-3

>  <URL> (323)
https://www.selleckchem.com/products/dasatinib-hydrochloride.html

$$$$

csChFnd80/02262515262D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.2000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (324)
3482

>  <Formula> (324)
C16H21Cl2N3

>  <MolWeight> (324)
326.26404

>  <Cat> (324)
S5670

>  <Name> (324)
Chloropyramine hydrochloride

>  <Synonyms> (324)
Halopyramine hydrochloride

>  <Target> (324)
Histamine Receptor

>  <Form> (324)
hydrochloride

>  <CAS> (324)
6170-42-9

>  <URL> (324)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/02262515262D

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.3030    3.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  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
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 15 20  1  0  0  0  0
 10 18  1  0  0  0  0
 21 22  2  0  0  0  0
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 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
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 21 24  1  0  0  0  0
  5 21  1  0  0  0  0
M  END
>  <Mol_ID> (325)
3567

>  <Formula> (325)
C18H19F3N2O4S2

>  <MolWeight> (325)
448.4796696

>  <Cat> (325)
S5815

>  <Name> (325)
WAY-316606

>  <Synonyms> (325)
N/A

>  <Target> (325)
SFRP,Wnt/beta-catenin

>  <Form> (325)
Free Base

>  <CAS> (325)
915759-45-4

>  <URL> (325)
http://www.selleckchem.com/products/way-316606.html

$$$$

csChFnd80/02262515262D

 30 34  0  0  0  0  0  0  0  0999 V2000
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    1.9618    2.8306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.9632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1648    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  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  2  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
  4 11  2  0  0  0  0
 12 13  1  1  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  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
 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> (326)
3570

>  <Formula> (326)
C21H16FN7O

>  <MolWeight> (326)
401.3964432

>  <Cat> (326)
S5818

>  <Name> (326)
acalisib (GS-9820)

>  <Synonyms> (326)
CAL-120

>  <Target> (326)
PI3K

>  <Form> (326)
Free Base

>  <CAS> (326)
870281-34-8

>  <URL> (326)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/02262515262D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    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
    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
    6.0622    2.8000    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
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   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
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (327)
3626

>  <Formula> (327)
C10H10O2

>  <MolWeight> (327)
162.1852

>  <Cat> (327)
S6221

>  <Name> (327)
Methyl cinnamate

>  <Synonyms> (327)
N/A

>  <Target> (327)
AMPK,CaMK,Tyrosinase

>  <Form> (327)
free base

>  <CAS> (327)
103-26-4

>  <URL> (327)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/02262515262D

 27 30  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
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    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
    6.0538    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7927    0.0000 N   0  3  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
    6.0538    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9035    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2350    4.4601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 11 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 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
>  <Mol_ID> (328)
3813

>  <Formula> (328)
C21H19ClNO4+

>  <MolWeight> (328)
384.83286

>  <Cat> (328)
S1292

>  <Name> (328)
Chelerythrine Chloride (NSC 646662)

>  <Synonyms> (328)
Broussonpapyrine chloride

>  <Target> (328)
PKC

>  <Form> (328)
Chloride

>  <CAS> (328)
3895-92-9

>  <URL> (328)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/02262515262D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.8361    6.2779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    6.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    8.3698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    6.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    8.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318    6.2706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2701    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.2895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536   10.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8870   11.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8868   12.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  7  2  1  0  0  0  0
  3  4  2  0  0  0  0
  6  3  1  0  0  0  0
 12  4  1  0  0  0  0
  5  6  2  0  0  0  0
  9  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
  8  9  1  0  0  0  0
 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 23 10  2  0  0  0  0
 11 25  1  0  0  0  0
 11 24  1  0  0  0  0
 18 12  1  0  0  0  0
 16 13  1  0  0  0  0
 14 17  1  0  0  0  0
 28 14  2  0  0  0  0
 15 16  2  0  0  0  0
 19 15  1  0  0  0  0
 26 16  1  0  0  0  0
 17 18  1  0  0  0  0
 29 19  1  0  0  0  0
 19 27  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 22 26  2  0  0  0  0
 27 22  1  0  0  0  0
 23 30  1  0  0  0  0
 31 28  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (329)
3865

>  <Formula> (329)
C23H26N6O2

>  <MolWeight> (329)
418.49154

>  <Cat> (329)
S6414

>  <Name> (329)
Apilimod (STA-5326)

>  <Synonyms> (329)
STA-5326

>  <Target> (329)
Interleukins,PIKfyve

>  <Form> (329)
Free Base

>  <CAS> (329)
541550-19-0

>  <URL> (329)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/02262515262D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.5080    2.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2908    1.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3571    4.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6810    1.4038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4318    3.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  3  2  1  0  0  0  0
  9  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  6  5  2  0  0  0  0
 20  5  1  0  0  0  0
 23  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 17 10  1  0  0  0  0
 19 11  2  0  0  0  0
 16 12  2  0  0  0  0
 18 13  1  0  0  0  0
 14 18  2  0  0  0  0
 21 14  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 22 15  1  0  0  0  0
 15 19  1  0  0  0  0
 26 20  2  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 23 27  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (330)
3875

>  <Formula> (330)
C23H19NO3

>  <MolWeight> (330)
357.40186

>  <Cat> (330)
S6424

>  <Name> (330)
TAS-301

>  <Synonyms> (330)
N/A

>  <Target> (330)
PKC

>  <Form> (330)
Free Base

>  <CAS> (330)
193620-69-8

>  <URL> (330)
http://www.selleck.cn/products/tas-301.html

$$$$

csChFnd80/02262515262D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0500    1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    0.7048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2230    3.2351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (331)
3940

>  <Formula> (331)
C22H19ClN2O6S

>  <MolWeight> (331)
474.91406

>  <Cat> (331)
S6503

>  <Name> (331)
LX2343

>  <Synonyms> (331)
N/A

>  <Target> (331)
BACE

>  <Form> (331)
free base

>  <CAS> (331)
333745-53-2

>  <URL> (331)
http://www.selleck.cn/products/lx2343.html

$$$$

csChFnd80/02262515262D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 16  8  1  0  0  0  0
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M  END
>  <Mol_ID> (332)
3942

>  <Formula> (332)
C16H15N3O2

>  <MolWeight> (332)
281.3092

>  <Cat> (332)
S6506

>  <Name> (332)
Compound 401

>  <Synonyms> (332)
N/A

>  <Target> (332)
DNA-PK,mTOR

>  <Form> (332)
free base

>  <CAS> (332)
168425-64-7

>  <URL> (332)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/02262515262D

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M  END
>  <Mol_ID> (333)
3950

>  <Formula> (333)
C21H28N8O3S2

>  <MolWeight> (333)
504.62882

>  <Cat> (333)
S6516

>  <Name> (333)
GNE-477

>  <Synonyms> (333)
N/A

>  <Target> (333)
mTOR,PI3K

>  <Form> (333)
free base

>  <CAS> (333)
1032754-81-6

>  <URL> (333)
http://www.selleck.cn/products/gne-477.html

$$$$

csChFnd80/02262515262D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (334)
3966

>  <Formula> (334)
C20H14Cl2FN5O2S

>  <MolWeight> (334)
478.3268632

>  <Cat> (334)
S6541

>  <Name> (334)
MTX-211

>  <Synonyms> (334)
N/A

>  <Target> (334)
EGFR,PI3K

>  <Form> (334)
free base

>  <CAS> (334)
1952236-05-3

>  <URL> (334)
http://www.selleck.cn/products/mtx-211.html

$$$$

csChFnd80/02262515262D

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   13.3368    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 O   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
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3056    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1285    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3056    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.0012    7.6509    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.7382    3.8641    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  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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 13 14  2  0  0  0  0
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 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
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 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 32  1  0  0  0  0
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 33 28  1  0  0  0  0
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 36 33  1  0  0  0  0
 26 37  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> (335)
3969

>  <Formula> (335)
C28H28F3N5O4

>  <MolWeight> (335)
555.5482296

>  <Cat> (335)
S6545

>  <Name> (335)
BI-4464

>  <Synonyms> (335)
N/A

>  <Target> (335)
FAK,Target Protein Ligand

>  <Form> (335)
free base

>  <CAS> (335)
1227948-02-8

>  <URL> (335)
http://www.selleck.cn/products/bi-4464.html

$$$$

csChFnd80/02262515262D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  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
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 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> (336)
3980

>  <Formula> (336)
C19H20N4O3

>  <MolWeight> (336)
352.3871

>  <Cat> (336)
S6571

>  <Name> (336)
BQR695

>  <Synonyms> (336)
NVP-BQR695

>  <Target> (336)
PI4K

>  <Form> (336)
free base

>  <CAS> (336)
1513879-21-4

>  <URL> (336)
http://www.selleck.cn/products/bqr695.html

$$$$

csChFnd80/02262515262D

 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
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   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
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   11.4635    5.0825    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
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   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
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  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
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 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 19 20  1  0  0  0  0
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 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
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 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> (337)
3982

>  <Formula> (337)
C22H18ClN5O2

>  <MolWeight> (337)
419.86362

>  <Cat> (337)
S6574

>  <Name> (337)
KDU691

>  <Synonyms> (337)
N/A

>  <Target> (337)
PI4K

>  <Form> (337)
free base

>  <CAS> (337)
1513879-19-0

>  <URL> (337)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/02262515262D

 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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    3.6373    2.8000    0.0000 O   0  0  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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   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
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  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
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  4 10  1  0  0  0  0
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  8 20  1  0  0  0  0
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 10 22  1  0  0  0  0
 11 23  2  0  0  0  0
 11 24  1  0  0  0  0
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 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
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 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
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 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> (338)
3985

>  <Formula> (338)
C20H25F3N6O3

>  <MolWeight> (338)
454.4461096

>  <Cat> (338)
S6577

>  <Name> (338)
PKC-theta inhibitor

>  <Synonyms> (338)
N/A

>  <Target> (338)
PKC

>  <Form> (338)
free base

>  <CAS> (338)
736048-65-0

>  <URL> (338)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$
P505-15.cdx
csChFnd80/02262515262D

 30 32  0  0  0  0  0  0  0  0999 V2000
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   10.9077    3.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (339)
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>  <Cat> (339)
S8032

>  <Name> (339)
PRT062607 (P505-15) HCl

>  <Synonyms> (339)
BIIB057, PRT-2607

>  <Target> (339)
FAK,FLT3,Mixed Lineage Kinase,PAK,Pyk2,Src,Syk

>  <Form> (339)
Hydrochloride

>  <CAS> (339)
1370261-97-4

>  <URL> (339)
http://selleckchem.com/products/prt062607-p505-15-hcl.html

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VE-821

>  <Synonyms> (340)
N/A

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ATM/ATR

>  <Form> (340)
Free Base

>  <CAS> (340)
1232410-49-9

>  <URL> (340)
http://selleckchem.com/products/ve-821.html

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>  <Formula> (341)
C21H25ClN6O2

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S8019

>  <Name> (341)
Capivasertib (AZD5363)

>  <Synonyms> (341)
N/A

>  <Target> (341)
Akt

>  <Form> (341)
free base

>  <CAS> (341)
1143532-39-1

>  <URL> (341)
http://selleckchem.com/products/azd5363.html

$$$$
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mTOR

>  <Form> (342)
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>  <CAS> (342)
1207360-89-1

>  <URL> (342)
http://selleckchem.com/products/gdc-0349.html

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>  <Mol_ID> (343)
4031

>  <Formula> (343)
C25H52NO4P

>  <MolWeight> (343)
461.658441

>  <Cat> (343)
S1037

>  <Name> (343)
Perifosine (KRX-0401)

>  <Synonyms> (343)
NSC639966, D21266

>  <Target> (343)
Akt

>  <Form> (343)
free base

>  <CAS> (343)
157716-52-4

>  <URL> (343)
http://selleckchem.com/products/Perifosine.html

$$$$
dynasore .cdx
csChFnd80/02262515262D

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>  <Mol_ID> (344)
4060

>  <Formula> (344)
C18H14N2O4

>  <MolWeight> (344)
322.31476

>  <Cat> (344)
S8047

>  <Name> (344)
Dynasore

>  <Synonyms> (344)
N/A

>  <Target> (344)
Autophagy,Dynamin,HSV

>  <Form> (344)
free base

>  <CAS> (344)
304448-55-3

>  <URL> (344)
http://selleckchem.com/products/dynasore.html

$$$$
ETP-46464.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (345)
4064

>  <Formula> (345)
C30H22N4O2

>  <MolWeight> (345)
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>  <Cat> (345)
S8050

>  <Name> (345)
ETP-46464

>  <Synonyms> (345)
N/A

>  <Target> (345)
ATM/ATR,mTOR

>  <Form> (345)
free base

>  <CAS> (345)
1345675-02-6

>  <URL> (345)
http://selleckchem.com/products/etp-46464.html

$$$$
PU-H71.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (346)
4068

>  <Formula> (346)
C18H21IN6O2S

>  <MolWeight> (346)
512.36781

>  <Cat> (346)
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>  <Name> (346)
Zelavespib (PU-H71)

>  <Synonyms> (346)
NSC 750424

>  <Target> (346)
HSP (HSP90)

>  <Form> (346)
free base

>  <CAS> (346)
873436-91-0

>  <URL> (346)
http://selleckchem.com/products/pu-h71.html

$$$$
Radotinib (IY-5511).cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (347)
4084

>  <Formula> (347)
C27H21F3N8O

>  <MolWeight> (347)
530.5038496

>  <Cat> (347)
S8134

>  <Name> (347)
Radotinib

>  <Synonyms> (347)
IY-5511

>  <Target> (347)
Bcr-Abl

>  <Form> (347)
free base

>  <CAS> (347)
926037-48-1

>  <URL> (347)
http://selleckchem.com/products/radotinib.html

$$$$
GNF-7.cdx
csChFnd80/02262515262D

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   18.1865    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    9.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    9.1000    0.0000 F   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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 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
M  END
>  <Mol_ID> (348)
4086

>  <Formula> (348)
C28H24F3N7O2

>  <MolWeight> (348)
547.5310696

>  <Cat> (348)
S8140

>  <Name> (348)
GNF-7

>  <Synonyms> (348)
N/A

>  <Target> (348)
Bcr-Abl

>  <Form> (348)
free base

>  <CAS> (348)
839706-07-9

>  <URL> (348)
http://selleckchem.com/products/gnf-7.html

$$$$
Cucurbitacin B.cdx
csChFnd80/02262515262D

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8497    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 30 32  1  0  0  0  0
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 10 37  1  1  0  0  0
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 28 40  1  0  0  0  0
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  3 43  1  0  0  0  0
M  END
>  <Mol_ID> (349)
4088

>  <Formula> (349)
C32H46O8

>  <MolWeight> (349)
558.70284

>  <Cat> (349)
S8165

>  <Name> (349)
Cucurbitacin B

>  <Synonyms> (349)
N/A

>  <Target> (349)
Microtubule Associated

>  <Form> (349)
free base

>  <CAS> (349)
6199-67-3

>  <URL> (349)
http://selleckchem.com/products/cucurbitacin-b.html

$$$$
Wnt agonist 1 HCl.cdx
csChFnd80/02262515262D

 27 29  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 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
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 16  7  1  0  0  0  0
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 15 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (350)
4098

>  <Formula> (350)
C19H19ClN4O3

>  <MolWeight> (350)
386.83216

>  <Cat> (350)
S8178

>  <Name> (350)
Wnt agonist 1

>  <Synonyms> (350)
BML-284 HCL, BML-284 hydrochloride, AMBMP hydrochloride, AMBMP HCL

>  <Target> (350)
Wnt/beta-catenin

>  <Form> (350)
hydrochloride

>  <CAS> (350)
2095432-75-8

>  <URL> (350)
http://selleckchem.com/products/wnt-agonist-1.html

$$$$
ON123300.cdx
csChFnd80/02262515262D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (351)
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>  <Synonyms> (351)
N/A

>  <Target> (351)
AMPK,CDK,c-RET,FGFR,PDGFR,Src

>  <Form> (351)
free base

>  <CAS> (351)
1357470-29-1

>  <URL> (351)
http://selleckchem.com/products/on123300.html

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>  <Formula> (352)
C21H22N4O2

>  <MolWeight> (352)
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>  <Cat> (352)
S8248

>  <Name> (352)
IQ-1

>  <Synonyms> (352)
N/A

>  <Target> (352)
PP2A,Wnt/beta-catenin

>  <Form> (352)
free base

>  <CAS> (352)
331001-62-8

>  <URL> (352)
http://selleckchem.com/products/iq-1.html

$$$$
LY3023414.cdx
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>  <Mol_ID> (353)
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>  <Formula> (353)
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>  <Name> (353)
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GTPL8918

>  <Target> (353)
DNA-PK,mTOR,PI3K

>  <Form> (353)
free base

>  <CAS> (353)
1386874-06-1

>  <URL> (353)
http://selleckchem.com/products/ly3023414.html

$$$$
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>  <Formula> (354)
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>  <MolWeight> (354)
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>  <Cat> (354)
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>  <Name> (354)
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>  <Synonyms> (354)
N/A

>  <Target> (354)
HSP (HSP90)

>  <Form> (354)
free base

>  <CAS> (354)
1609402-14-3

>  <URL> (354)
http://selleckchem.com/products/ha15.html

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   11.7330    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9455    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1579    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1579    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5206    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4440    5.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5206    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   22.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   22.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611   12.7324    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
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 10 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 14 21  2  0  0  0  0
 17 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
>  <Mol_ID> (355)
4159

>  <Formula> (355)
C12H15N2O11V

>  <MolWeight> (355)
414.1958

>  <Cat> (355)
S8174

>  <Name> (355)
VO-Ohpic trihydrate

>  <Synonyms> (355)
N/A

>  <Target> (355)
PTEN

>  <Form> (355)
trihydrate

>  <CAS> (355)
476310-60-8

>  <URL> (355)
http://selleckchem.com/products/vo-ohpic.html

$$$$
KYA1797K.cdx
csChFnd80/02262515262D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.5201    6.3914    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7675    7.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5485    8.4098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1657    8.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5301    7.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5384    9.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8907    9.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8807   10.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2330    9.6650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2229   10.6549    0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
   14.5183   11.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0149    6.3914    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1474    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    5.5923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    2.4249    2.1000    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  5  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  1  1  0  0  0  0
  3  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
  8 11  2  0  0  0  0
  4 12  2  0  0  0  0
  2 13  2  0  0  0  0
  5 14  2  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  2  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
 17 20  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
  9 10  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (356)
4163

>  <Formula> (356)
C17H11KN2O6S2

>  <MolWeight> (356)
442.50734

>  <Cat> (356)
S8327

>  <Name> (356)
KYA1797K

>  <Synonyms> (356)
N/A

>  <Target> (356)
Wnt/beta-catenin

>  <Form> (356)
potassium salt

>  <CAS> (356)
1956356-56-1

>  <URL> (356)
http://selleckchem.com/products/kya1797k.html

$$$$
Deguelin.cdx
csChFnd80/02262515262D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   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
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 H   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
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 11 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 12  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  7 25  2  0  0  0  0
 17 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
  9 30  1  1  0  0  0
  8 31  1  1  0  0  0
M  END
>  <Mol_ID> (357)
4173

>  <Formula> (357)
C23H22O6

>  <MolWeight> (357)
394.41718

>  <Cat> (357)
S8132

>  <Name> (357)
Deguelin

>  <Synonyms> (357)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (357)
Akt,PI3K

>  <Form> (357)
free base

>  <CAS> (357)
522-17-8

>  <URL> (357)
http://selleckchem.com/products/deguelin.html

$$$$
Leukadherin-1.cdx
csChFnd80/02262515262D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.4249   16.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4249   15.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6373   14.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8498   15.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8498   16.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6373   17.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   14.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   13.2332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0798   12.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5125   11.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   11.0788    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3451   12.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7484   12.8429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6766   12.8429    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6896    9.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2590    8.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5590    7.4548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4958    6.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7747    6.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6284    8.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2047    5.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8732    4.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5822    3.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451    4.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  2  0  0  0  0
 10 15  2  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  2  0  0  0  0
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 20 16  2  0  0  0  0
 18 21  1  0  0  0  0
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 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
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (358)
4175

>  <Formula> (358)
C22H15NO4S2

>  <MolWeight> (358)
421.4888

>  <Cat> (358)
S8306

>  <Name> (358)
Leukadherin-1

>  <Synonyms> (358)
N/A

>  <Target> (358)
Complement System,Integrin

>  <Form> (358)
free base

>  <CAS> (358)
344897-95-6

>  <URL> (358)
http://selleckchem.com/products/leukadherin-1.html

$$$$
SKL2001.cdx
csChFnd80/02262515262D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3773    1.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7088    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5319    1.7083    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  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
M  END
>  <Mol_ID> (359)
4180

>  <Formula> (359)
C14H14N4O3

>  <MolWeight> (359)
286.28596

>  <Cat> (359)
S8320

>  <Name> (359)
SKL2001

>  <Synonyms> (359)
N/A

>  <Target> (359)
Wnt/beta-catenin

>  <Form> (359)
free base

>  <CAS> (359)
909089-13-0

>  <URL> (359)
http://selleckchem.com/products/skl2001.html

$$$$
ML-7.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (360)
4199

>  <Formula> (360)
C15H18ClIN2O2S

>  <MolWeight> (360)
452.73809

>  <Cat> (360)
S8388

>  <Name> (360)
ML-7 HCl

>  <Synonyms> (360)
N/A

>  <Target> (360)
MLCK,PKA,PKC

>  <Form> (360)
hydrochloride

>  <CAS> (360)
110448-33-4

>  <URL> (360)
http://selleckchem.com/products/ml-7.html

$$$$
CZ415.cdx
csChFnd80/02262515262D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (361)
4202

>  <Formula> (361)
C22H29N5O4S

>  <MolWeight> (361)
459.56176

>  <Cat> (361)
S8298

>  <Name> (361)
CZ415

>  <Synonyms> (361)
N/A

>  <Target> (361)
mTOR

>  <Form> (361)
free base

>  <CAS> (361)
1429639-50-8

>  <URL> (361)
http://selleckchem.com/products/cz415.html

$$$$
Apoptozole.cdx
csChFnd80/02262515262D

 45 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (362)
4207

>  <Formula> (362)
C33H25F6N3O3

>  <MolWeight> (362)
625.5603192

>  <Cat> (362)
S8365

>  <Name> (362)
Apoptozole

>  <Synonyms> (362)
Apoptosis Activator VII

>  <Target> (362)
Apoptosis related,HSP (HSP90)

>  <Form> (362)
free base

>  <CAS> (362)
1054543-47-3

>  <URL> (362)
http://selleckchem.com/products/apoptozole.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (363)
4211

>  <Formula> (363)
C21H20N2O3S

>  <MolWeight> (363)
380.4601

>  <Cat> (363)
S8448

>  <Name> (363)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (363)
N/A

>  <Target> (363)
ROCK

>  <Form> (363)
free base

>  <CAS> (363)
557782-81-7

>  <URL> (363)
http://selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
Monastrol.cdx
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C14H16N2O3S

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Monastrol

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(¡À)-Monastrol

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Kinesin

>  <Form> (364)
free base

>  <CAS> (364)
329689-23-8

>  <URL> (364)
http://selleckchem.com/products/monastrol.html

$$$$
ARQ 092.cdx
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4221

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C27H25ClN6

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>  <Name> (365)
Miransertib (ARQ 092) HCl

>  <Synonyms> (365)
Miransertib

>  <Target> (365)
Akt

>  <Form> (365)
hydrochloride

>  <CAS> (365)
1313883-00-9

>  <URL> (365)
http://selleckchem.com/products/arq-092.html

$$$$
KRIBB11.cdx
csChFnd80/02262515262D

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4223

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C13H12N6O2

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284.27338

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KRIBB11

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N/A

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Apoptosis related,HSP (HSP90)

>  <Form> (366)
free base

>  <CAS> (366)
342639-96-7

>  <URL> (366)
http://selleckchem.com/products/kribb11.html

$$$$
PNU-74654.cdx
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4226

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C19H16N2O3

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320.34194

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PNU-74654

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N/A

>  <Target> (367)
Wnt/beta-catenin

>  <Form> (367)
free base

>  <CAS> (367)
113906-27-7

>  <URL> (367)
http://selleckchem.com/products/pnu-74654.html

$$$$
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M  END
>  <Mol_ID> (368)
4231

>  <Formula> (368)
C27H24F5N5O3

>  <MolWeight> (368)
561.503176

>  <Cat> (368)
S8215

>  <Name> (368)
BAY 1217389

>  <Synonyms> (368)
N/A

>  <Target> (368)
MPS1

>  <Form> (368)
free base

>  <CAS> (368)
1554458-53-5

>  <URL> (368)
http://selleckchem.com/products/bay-1217389.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/02262515262D

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A   23
xH2O
M  END
>  <Mol_ID> (369)
4240

>  <Formula> (369)
C14H18ClN3O3RS

>  <MolWeight> (369)
343.82902

>  <Cat> (369)
S8208

>  <Name> (369)
Hydroxyfasudil (HA-1100) HCl

>  <Synonyms> (369)
N/A

>  <Target> (369)
ROCK

>  <Form> (369)
hydrochloride

>  <CAS> (369)
155558-32-0 (HCl salt)

>  <URL> (369)
http://selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
TGR-1202.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (370)
4244

>  <Formula> (370)
C31H24F3N5O3

>  <MolWeight> (370)
571.5491696

>  <Cat> (370)
S8194

>  <Name> (370)
umbralisib (TGR-1202)

>  <Synonyms> (370)
Rp-5264

>  <Target> (370)
PI3K

>  <Form> (370)
free base

>  <CAS> (370)
1532533-67-7

>  <URL> (370)
http://selleckchem.com/products/tgr-1202.html

$$$$
LF3.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (371)
4251

>  <Formula> (371)
C20H24N4O2S2

>  <MolWeight> (371)
416.56016

>  <Cat> (371)
S8474

>  <Name> (371)
LF3

>  <Synonyms> (371)
N/A

>  <Target> (371)
Wnt/beta-catenin

>  <Form> (371)
free base

>  <CAS> (371)
664969-54-4

>  <URL> (371)
http://selleckchem.com/products/lf3.html

$$$$
GSK180736A.cdx
csChFnd80/02262515262D

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>  <Target> (372)
GRK

>  <Form> (372)
free base

>  <CAS> (372)
817194-38-0

>  <URL> (372)
http://selleckchem.com/products/gsk180736a.html

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free base

>  <CAS> (373)
1224887-10-8

>  <URL> (373)
http://selleckchem.com/products/gsk2256098.html

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YU238259

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N/A

>  <Target> (374)
DNA-PK

>  <Form> (374)
free base

>  <CAS> (374)
1943733-16-1

>  <URL> (374)
http://selleckchem.com/products/yu238259.html

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C24H18N2O3S

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LTURM34

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>  <Target> (375)
DNA-PK

>  <Form> (375)
free base

>  <CAS> (375)
1879887-96-3

>  <URL> (375)
http://selleckchem.com/products/lturm34.html

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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  6  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (376)
4274

>  <Formula> (376)
C19H22N6O3

>  <MolWeight> (376)
382.41638

>  <Cat> (376)
S8157

>  <Name> (376)
GDC-0326

>  <Synonyms> (376)
N/A

>  <Target> (376)
PI3K

>  <Form> (376)
free base

>  <CAS> (376)
1282514-88-8

>  <URL> (376)
http://selleckchem.com/products/gdc-0326.html

$$$$
Tirofiban Hydrochloride.cdx
csChFnd80/02262515262D

 32 31  0  0  0  0  0  0  0  0999 V2000
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    0.0000   10.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5 11  1  0  0  0  0
  1 12  2  0  0  0  0
  1 13  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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 17 21  1  0  0  0  0
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 24 25  2  0  0  0  0
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 29 30  1  0  0  0  0
 24 27  1  0  0  0  0
  2 24  1  0  0  0  0
M  END
>  <Mol_ID> (377)
4281

>  <Formula> (377)
C22H39ClN2O6S

>  <MolWeight> (377)
495.07286

>  <Cat> (377)
S8594

>  <Name> (377)
Tirofiban Hydrochloride

>  <Synonyms> (377)
MK-383 Hydrochloride

>  <Target> (377)
Integrin

>  <Form> (377)
hydrochloride hydrate

>  <CAS> (377)
150915-40-5

>  <URL> (377)
http://selleckchem.com/products/tirofiban-hydrochlorid.html

$$$$
3BDO.cdx
csChFnd80/02262515262D

 24 26  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
    0.0000    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
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   10.4932    4.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 15 17  2  0  0  0  0
 14 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 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (378)
4282

>  <Formula> (378)
C18H17NO5

>  <MolWeight> (378)
327.33128

>  <Cat> (378)
S8317

>  <Name> (378)
3BDO

>  <Synonyms> (378)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (378)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (378)
free base

>  <CAS> (378)
890405-51-3

>  <URL> (378)
http://selleckchem.com/products/3bdo.html

$$$$
SF2523.cdx
csChFnd80/02262515262D

 26 30  0  0  0  0  0  0  0  0999 V2000
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    4.7786    8.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    8.6316    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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 16 11  1  0  0  0  0
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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (379)
4287

>  <Formula> (379)
C19H17NO5S

>  <MolWeight> (379)
371.40698

>  <Cat> (379)
S8589

>  <Name> (379)
SF2523

>  <Synonyms> (379)
N/A

>  <Target> (379)
DNA-PK,Epigenetic Reader Domain,mTOR,PI3K

>  <Form> (379)
free base

>  <CAS> (379)
1174428-47-7

>  <URL> (379)
http://selleckchem.com/products/sf2523.html

$$$$
LM-5005.cdx
csChFnd80/02262515262D

 34 37  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.2000    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
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (380)
4291

>  <Formula> (380)
C25H31N5O4

>  <MolWeight> (380)
465.54474

>  <Cat> (380)
S8305

>  <Name> (380)
TRC051384

>  <Synonyms> (380)
N/A

>  <Target> (380)
HSP (HSP90)

>  <Form> (380)
free base

>  <CAS> (380)
867164-40-7

>  <URL> (380)
http://selleckchem.com/products/trc051384.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/02262515262D

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>  <Mol_ID> (381)
4297

>  <Formula> (381)
C19H17N5O3

>  <MolWeight> (381)
363.36998

>  <Cat> (381)
S8581

>  <Name> (381)
Serabelisib (TAK-117)

>  <Synonyms> (381)
INK-1117, MLN-1117

>  <Target> (381)
PI3K

>  <Form> (381)
free base

>  <CAS> (381)
1268454-23-4

>  <URL> (381)
http://selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Autophinib.cdx
csChFnd80/02262515262D

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4302

>  <Formula> (382)
C14H11ClN6O3

>  <MolWeight> (382)
346.72854

>  <Cat> (382)
S8596

>  <Name> (382)
Autophinib

>  <Synonyms> (382)
N/A

>  <Target> (382)
Autophagy,PI3K

>  <Form> (382)
free base

>  <CAS> (382)
1644443-47-9

>  <URL> (382)
http://selleckchem.com/products/autophinib.html

$$$$
PF-06409577.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (383)
4320

>  <Formula> (383)
C19H16ClNO3

>  <MolWeight> (383)
341.78824

>  <Cat> (383)
S8335

>  <Name> (383)
PF-06409577

>  <Synonyms> (383)
N/A

>  <Target> (383)
AMPK

>  <Form> (383)
free base

>  <CAS> (383)
1467057-23-3

>  <URL> (383)
http://selleckchem.com/products/pf-06409577.html

$$$$
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M  END
>  <Mol_ID> (384)
4327

>  <Formula> (384)
C24H25FN6O2

>  <MolWeight> (384)
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>  <Cat> (384)
S8644

>  <Name> (384)
GNF-6231

>  <Synonyms> (384)
N/A

>  <Target> (384)
PORCN

>  <Form> (384)
free base

>  <CAS> (384)
1243245-18-2

>  <URL> (384)
http://selleckchem.com/products/gnf-6231.html

$$$$
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Wnt/beta-catenin

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free base

>  <CAS> (385)
901751-47-1

>  <URL> (385)
http://selleckchem.com/products/icrt3.html

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IWP-O1

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N/A

>  <Target> (386)
PORCN

>  <Form> (386)
free base

>  <CAS> (386)
2074607-48-8

>  <URL> (386)
http://selleckchem.com/products/iwp-O1.html

$$$$
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4356

>  <Formula> (387)
C18H15ClN6OS2

>  <MolWeight> (387)
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>  <Name> (387)
SNS-314 Mesylate

>  <Synonyms> (387)
N/A

>  <Target> (387)
Aurora Kinase

>  <Form> (387)
Mesylate

>  <CAS> (387)
1146618-41-8

>  <URL> (387)
http://selleckchem.com/products/sns-314.html

$$$$
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4358

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>  <Cat> (388)
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>  <Name> (388)
KPT 9274 ( ATG-019)

>  <Synonyms> (388)
N/A

>  <Target> (388)
NAMPT,PAK

>  <Form> (388)
free base

>  <CAS> (388)
1643913-93-2

>  <URL> (388)
http://selleckchem.com/products/kpt-9274.html

$$$$
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M  END
>  <Mol_ID> (389)
4359

>  <Formula> (389)
C20H18ClF2N5O3

>  <MolWeight> (389)
449.8384264

>  <Cat> (389)
S8555

>  <Name> (389)
Asciminib (ABL001)

>  <Synonyms> (389)
N/A

>  <Target> (389)
Bcr-Abl

>  <Form> (389)
free base

>  <CAS> (389)
1492952-76-7

>  <URL> (389)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (390)
4360

>  <Formula> (390)
C23H18FN5O2

>  <MolWeight> (390)
415.4197232

>  <Cat> (390)
S8672

>  <Name> (390)
Tenalisib (RP6530)

>  <Synonyms> (390)
N/A

>  <Target> (390)
PI3K

>  <Form> (390)
free base

>  <CAS> (390)
1639417-53-0

>  <URL> (390)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
AZD1390.cdx
csChFnd80/02262515262D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (391)
4367

>  <Formula> (391)
C27H32FN5O2

>  <MolWeight> (391)
477.5736832

>  <Cat> (391)
S8680

>  <Name> (391)
AZD1390

>  <Synonyms> (391)
N/A

>  <Target> (391)
ATM/ATR

>  <Form> (391)
free base

>  <CAS> (391)
2089288-03-7

>  <URL> (391)
http://selleckchem.com/products/azd1390.html

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/02262515262D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (392)
4399

>  <Formula> (392)
C15H24N2O2

>  <MolWeight> (392)
264.36326

>  <Cat> (392)
S9384

>  <Name> (392)
Sophocarpine Monohydrate

>  <Target> (392)
Immunology & Inflammation related

>  <Form> (392)
free base

>  <CAS> (392)
145572-44-7

>  <URL> (392)
https://www.selleckchem.com/products/sophocarpine-monohydrate.html

$$$$
S9416 Triptonide.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (393)
4422

>  <Formula> (393)
C20H22O6

>  <MolWeight> (393)
358.38508

>  <Cat> (393)
S9416

>  <Name> (393)
Triptonide

>  <Target> (393)
Wnt/beta-catenin

>  <Form> (393)
free base

>  <CAS> (393)
38647-11-9

>  <URL> (393)
https://www.selleckchem.com/products/triptonide.html

$$$$

csChFnd80/02262515262D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (394)
4455

>  <Formula> (394)
C23H14ClF3N6O

>  <MolWeight> (394)
482.8450696

>  <Cat> (394)
S8560

>  <Name> (394)
Seletalisib (UCB-5857)

>  <Synonyms> (394)
N/A

>  <Target> (394)
PI3K

>  <Form> (394)
Free Base

>  <CAS> (394)
1362850-20-1

>  <URL> (394)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/02262515262D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (395)
4459

>  <Formula> (395)
C24H18ClN3O3

>  <MolWeight> (395)
431.87102

>  <Cat> (395)
S8654

>  <Name> (395)
ex229 (compound 991)

>  <Synonyms> (395)
N/A

>  <Target> (395)
AMPK

>  <Form> (395)
Free Base

>  <CAS> (395)
1219739-36-2

>  <URL> (395)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/02262515262D

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M  END
>  <Mol_ID> (396)
4466

>  <Formula> (396)
C20H16N4O

>  <MolWeight> (396)
328.36724

>  <Cat> (396)
S8729

>  <Name> (396)
AZ32

>  <Synonyms> (396)
N/A

>  <Target> (396)
ATM/ATR

>  <Form> (396)
Free Base

>  <CAS> (396)
2288709-96-4

>  <URL> (396)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/02262515262D

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>  <Mol_ID> (397)
4468

>  <Formula> (397)
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>  <MolWeight> (397)
411.3816096

>  <Cat> (397)
S8738

>  <Name> (397)
Bimiralisib (PQR309)

>  <Synonyms> (397)
N/A

>  <Target> (397)
mTOR,PI3K

>  <Form> (397)
Free Base

>  <CAS> (397)
1225037-39-7

>  <URL> (397)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/02262515262D

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M  END
>  <Mol_ID> (398)
4474

>  <Formula> (398)
C21H25F3N6O2

>  <MolWeight> (398)
450.4574096

>  <Cat> (398)
S8752

>  <Name> (398)
leniolisib (CDZ 173)

>  <Synonyms> (398)
N/A

>  <Target> (398)
PI3K

>  <Form> (398)
Free Base

>  <CAS> (398)
1354690-24-6

>  <URL> (398)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/02262515262D

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M  END
>  <Mol_ID> (399)
4479

>  <Formula> (399)
C29H24FN7O

>  <MolWeight> (399)
505.5455632

>  <Cat> (399)
S8761

>  <Name> (399)
Adavivint (SM04690)

>  <Synonyms> (399)
Lorecivivint

>  <Target> (399)
Wnt/beta-catenin

>  <Form> (399)
Free Base

>  <CAS> (399)
1467093-03-3

>  <URL> (399)
http://www.selleckchem.com/products/adavivint.html

$$$$

csChFnd80/02262515262D

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M  END
>  <Mol_ID> (400)
4481

>  <Formula> (400)
C26H23FN8O

>  <MolWeight> (400)
482.5122232

>  <Cat> (400)
S8764

>  <Name> (400)
IITZ-01

>  <Synonyms> (400)
N/A

>  <Target> (400)
Autophagy

>  <Form> (400)
Free Base

>  <CAS> (400)
1807988-47-1

>  <URL> (400)
http://www.selleckchem.com/products/iitz-01.html

$$$$
S9066 Specnuezhenide.cdx
csChFnd80/02262515262D

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    1.2126    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8871   10.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2870   10.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9870    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3870    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2870    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0869    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9870    7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3870    7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 25  1  0  0  0  0
  2 24  1  0  0  0  0
  2 27  1  0  0  0  0
 25  3  1  1  0  0  0
 29  3  1  6  0  0  0
 18  4  1  1  0  0  0
 19  5  1  6  0  0  0
 27  6  1  6  0  0  0
  6 36  1  0  0  0  0
 20  7  1  6  0  0  0
 21  8  1  1  0  0  0
 23  9  1  6  0  0  0
 26 10  1  1  0  0  0
 11 28  1  0  0  0  0
 11 35  1  0  0  0  0
 12 29  1  0  0  0  0
 12 37  1  0  0  0  0
 13 31  1  0  0  0  0
 14 35  2  0  0  0  0
 15 40  1  0  0  0  0
 15 45  1  0  0  0  0
 16 40  2  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 25  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 31  1  1  0  0  0
 23 26  1  0  0  0  0
 24 28  1  6  0  0  0
 26 27  1  0  0  0  0
 29 32  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  1  0  0  0
 30 34  1  0  0  0  0
 32 38  2  0  0  0  0
 33 35  1  0  0  0  0
 34 37  2  0  0  0  0
 34 40  1  0  0  0  0
 36 39  1  0  0  0  0
 38 41  1  0  0  0  0
 39 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 43 46  1  0  0  0  0
 44 47  2  0  0  0  0
 46 48  2  0  0  0  0
 47 48  1  0  0  0  0
M  END
>  <Mol_ID> (401)
4515

>  <Formula> (401)
C31H42O17

>  <MolWeight> (401)
686.65498

>  <Cat> (401)
S9066

>  <Name> (401)
Specnuezhenide

>  <Synonyms> (401)
Nuezhenide

>  <Target> (401)
Others

>  <Form> (401)
free base

>  <CAS> (401)
449733-84-0

>  <URL> (401)
https://www.selleckchem.com/products/specnuezhenide.html

$$$$

csChFnd80/02262515262D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.5543    4.1637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5543    2.7637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6490    1.8909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0139    2.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6212    3.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3037    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  1  7  1  6  0  0  0
  1  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13  1  1  0  0  0  0
 12 14  1  0  0  0  0
 14  6  1  0  0  0  0
 12 15  1  1  0  0  0
 14 15  1  1  0  0  0
  4 16  1  0  0  0  0
 10 17  1  1  0  0  0
  2 18  1  1  0  0  0
  3 19  1  1  0  0  0
 13 20  1  6  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
  7 23  2  0  0  0  0
  9 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
>  <Mol_ID> (402)
4545

>  <Formula> (402)
C20H28O5

>  <MolWeight> (402)
348.43332

>  <Cat> (402)
S9101

>  <Name> (402)
Ingenol

>  <Target> (402)
PKC

>  <Form> (402)
free base

>  <CAS> (402)
30220-46-3

>  <URL> (402)
https://www.selleckchem.com/products/ingenol.html

$$$$
S9111 Isorhamnetin.cdx
csChFnd80/02262515262D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6120    6.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6287    4.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6988    4.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9362    2.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3242    0.0000    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
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  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
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (403)
4553

>  <Formula> (403)
C16H12O7

>  <MolWeight> (403)
316.26228

>  <Cat> (403)
S9111

>  <Name> (403)
Isorhamnetin

>  <Synonyms> (403)
3-methylquercetin, 3'-Methoxyquercetin, Isorhamnetol

>  <Target> (403)
Tyrosinase

>  <Form> (403)
free base

>  <CAS> (403)
480-19-3

>  <URL> (403)
https://www.selleckchem.com/products/isorhamnetin.html

$$$$
S9114 Polyphyllin I.cdx
csChFnd80/02262515262D

 65 73  0  0  0  0  0  0  0  0999 V2000
   12.1362   10.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1362    9.2065    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3470    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5648    9.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5648   10.6052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3470   11.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7686    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9865    9.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9865   10.6052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7686   11.3011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2041   11.3011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.7686   12.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4081   13.4026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.6192    1.3987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   24.8065   17.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 10  5  1  0  0  0  0
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 19 20  1  0  0  0  0
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 49 33  1  1  0  0  0
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M  END
>  <Mol_ID> (404)
4556

>  <Formula> (404)
C44H70O16

>  <MolWeight> (404)
855.017

>  <Cat> (404)
S9114

>  <Name> (404)
Polyphyllin I

>  <Target> (404)
JNK

>  <Form> (404)
free base

>  <CAS> (404)
50773-41-6

>  <URL> (404)
https://www.selleckchem.com/products/polyphyllin-i.html

$$$$
S9121 Irigenin.cdx
csChFnd80/02262515262D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    3.6372    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (405)
4561

>  <Formula> (405)
C18H16O8

>  <MolWeight> (405)
360.31484

>  <Cat> (405)
S9121

>  <Name> (405)
Irigenin

>  <Target> (405)
Others

>  <Form> (405)
free base

>  <CAS> (405)
548-76-5

>  <URL> (405)
https://www.selleckchem.com/products/irigenin.html

$$$$
S9141 Berbamine.cdx
csChFnd80/02262515262D

 45 51  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
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 33 34  1  0  0  0  0
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M  END
>  <Mol_ID> (406)
4578

>  <Formula> (406)
C37H40N2O6

>  <MolWeight> (406)
608.7233

>  <Cat> (406)
S9141

>  <Name> (406)
Berbamine

>  <Synonyms> (406)
BA, BBM

>  <Target> (406)
Apoptosis related,Bcr-Abl,CaMK,NF-¦ÊB

>  <Form> (406)
free base

>  <CAS> (406)
478-61-5

>  <URL> (406)
https://www.selleckchem.com/products/berbamine.html

$$$$
S9172 Phellodendrine.cdx
csChFnd80/02262515262D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
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 11  4  1  0  0  0  0
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 13  6  1  0  0  0  0
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 12  7  2  0  0  0  0
 10  9  1  0  0  0  0
 20 10  1  0  0  0  0
 15 10  2  0  0  0  0
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M  END
>  <Mol_ID> (407)
4600

>  <Formula> (407)
C20H24NO4+

>  <MolWeight> (407)
342.40886

>  <Cat> (407)
S9172

>  <Name> (407)
Phellodendrine

>  <Target> (407)
Immunology & Inflammation related

>  <Form> (407)
free base

>  <CAS> (407)
6873-13-8

>  <URL> (407)
https://www.selleckchem.com/products/phellodendrine.html

$$$$
S9182 Crebanine.cdx
csChFnd80/02262515262D

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  5 12  1  0  0  0  0
  5 26  1  1  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 11  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
  9 13  1  0  0  0  0
 10 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (408)
4608

>  <Formula> (408)
C20H21NO4

>  <MolWeight> (408)
339.38504

>  <Cat> (408)
S9182

>  <Name> (408)
Crebanine

>  <Target> (408)
Apoptosis related

>  <Form> (408)
free base

>  <CAS> (408)
25127-29-1

>  <URL> (408)
https://www.selleckchem.com/products/crebanine.html

$$$$
S9190 Oroxin B.cdx
csChFnd80/02262515262D

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    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 20 19  1  6  0  0  0
 20 21  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 22 26  1  6  0  0  0
 24 27  1  6  0  0  0
 23 28  1  1  0  0  0
 25 29  1  1  0  0  0
  2 30  1  0  0  0  0
 26 31  1  0  0  0  0
 32 31  1  6  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 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 36 38  1  6  0  0  0
 34 39  1  6  0  0  0
 37 40  1  1  0  0  0
 35 41  1  1  0  0  0
 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (409)
4615

>  <Formula> (409)
C27H30O15

>  <MolWeight> (409)
594.5181

>  <Cat> (409)
S9190

>  <Name> (409)
Oroxin B

>  <Synonyms> (409)
Hypocretin-2

>  <Target> (409)
Akt,Apoptosis related,COX,PI3K,PTEN

>  <Form> (409)
free base

>  <CAS> (409)
114482-86-9

>  <URL> (409)
https://www.selleckchem.com/products/oroxin-b.html

$$$$

csChFnd80/02262515262D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.7688    8.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5839    7.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7533    5.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077    5.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0095    7.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2267    8.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4343    7.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3463    3.4493    0.0000 N   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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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 11 19  1  0  0  0  0
 14 19  2  0  0  0  0
 20 21  1  0  0  0  0
 13 20  2  0  0  0  0
  3 12  2  0  0  0  0
M  END
>  <Mol_ID> (410)
4634

>  <Formula> (410)
C16H11N3O2

>  <MolWeight> (410)
277.27744

>  <Cat> (410)
S2009

>  <Name> (410)
Indirubin-3'-monoxime

>  <Synonyms> (410)
Indirubin-3'-oxime

>  <Target> (410)
CDK

>  <Form> (410)
Free Base

>  <CAS> (410)
160807-49-8

>  <URL> (410)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$
S9230 Vaccarin.cdx
csChFnd80/02262515262D

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 36 31  1  0  0  0  0
 35 37  1  1  0  0  0
 28 38  1  0  0  0  0
 36 39  1  6  0  0  0
 34 40  1  1  0  0  0
 41 18  1  6  0  0  0
 41 42  1  0  0  0  0
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M  END
>  <Mol_ID> (411)
4641

>  <Formula> (411)
C32H38O19

>  <MolWeight> (411)
726.63272

>  <Cat> (411)
S9230

>  <Name> (411)
Vaccarin

>  <Target> (411)
Others

>  <Form> (411)
free base

>  <CAS> (411)
53452-16-7

>  <URL> (411)
https://www.selleckchem.com/products/vaccarin.html

$$$$
S9234 Schaftoside.cdx
csChFnd80/02262515262D

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    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  2  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
    6.0622    9.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    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
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  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
 11 12  1  0  0  0  0
  5 12  2  0  0  0  0
 12 13  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 14 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  1  0  0  0
 30 31  1  0  0  0  0
 21 29  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 37 38  1  1  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 32 40  1  0  0  0  0
 21  8  1  6  0  0  0
 32 11  1  1  0  0  0
M  END
>  <Mol_ID> (412)
4644

>  <Formula> (412)
C26H28O14

>  <MolWeight> (412)
564.49212

>  <Cat> (412)
S9234

>  <Name> (412)
Schaftoside

>  <Target> (412)
Lipase,MyD88,TLR

>  <Form> (412)
free base

>  <CAS> (412)
51938-32-0

>  <URL> (412)
https://www.selleckchem.com/products/schaftoside.html

$$$$
S9245 Phellodendrine chloride.cdx
csChFnd80/02262515262D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.2846    3.6106    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5048    4.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2847    2.2110    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    6.0684    4.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7097    3.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5048    5.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0684    1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5048    1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2847    0.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530    3.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7097    2.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9252    4.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7083    6.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530    2.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6478    4.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9256    5.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6478    1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4283    3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1377    6.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2162    4.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3503    5.7199    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
  1 26  1  6  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 14  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (413)
4652

>  <Formula> (413)
C20H24ClNO4

>  <MolWeight> (413)
377.86186

>  <Cat> (413)
S9245

>  <Name> (413)
Phellodendrine chloride

>  <Target> (413)
Immunology & Inflammation related

>  <Form> (413)
free base

>  <CAS> (413)
104112-82-5

>  <URL> (413)
https://www.selleckchem.com/products/phellodendrine-chloride.html

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/02262515262D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8789    2.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8807    4.2433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6534    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    4.9160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6683    4.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3067    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3067    4.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    6.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6683    6.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4418    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7744    5.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6863    3.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    7.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4573    7.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8820    7.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4992    6.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    8.4157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7117    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4992    4.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7117    8.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  1  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 23  2  0  0  0  0
 16 22  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (414)
4704

>  <Formula> (414)
C21H22O7

>  <MolWeight> (414)
386.39518

>  <Cat> (414)
S9315

>  <Name> (414)
Praeruptorin A

>  <Target> (414)
Akt,Calcium Channel,p38 MAPK

>  <Form> (414)
free base

>  <CAS> (414)
73069-25-7

>  <URL> (414)
https://www.selleckchem.com/products/praeruptorin-a-1.html

$$$$
S9046 Berberine.cdx
csChFnd80/02262515262D

 25 29  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
    4.8497    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
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  2  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  6 12  2  0  0  0  0
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  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (415)
4717

>  <Formula> (415)
C20H18NO4+

>  <MolWeight> (415)
336.36122

>  <Cat> (415)
S9046

>  <Name> (415)
Berberine

>  <Synonyms> (415)
Umbellatine

>  <Target> (415)
Bacterial

>  <Form> (415)
free base

>  <CAS> (415)
2086-83-1

>  <URL> (415)
https://www.selleckchem.com/products/berberine.html

$$$$

csChFnd80/02262515262D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.6052    5.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6052    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    5.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    6.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    3.6985    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1138    4.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    3.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8770    2.0151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    2.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9618    2.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (416)
4767

>  <Formula> (416)
C19H21N3O3S

>  <MolWeight> (416)
371.45334

>  <Cat> (416)
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>  <Name> (416)
SSE15206

>  <Synonyms> (416)
N/A

>  <Target> (416)
Microtubule Associated

>  <Form> (416)
Free Base

>  <CAS> (416)
1370046-40-4

>  <URL> (416)
http://www.selleckchem.com/products/sse15206.html

$$$$

csChFnd80/02262515262D

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>  <Mol_ID> (417)
4770

>  <Formula> (417)
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>  <MolWeight> (417)
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>  <Cat> (417)
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>  <Name> (417)
MK-3903

>  <Synonyms> (417)
N/A

>  <Target> (417)
AMPK

>  <Form> (417)
Free Base

>  <CAS> (417)
1219737-12-8

>  <URL> (417)
http://www.selleckchem.com/products/mk-3903.html

$$$$

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>  <Mol_ID> (418)
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>  <Formula> (418)
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>  <MolWeight> (418)
686.65498

>  <Cat> (418)
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Nuzhenide

>  <Synonyms> (418)
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>  <Target> (418)
Others

>  <Form> (418)
Free Base

>  <CAS> (418)
39011-92-2

>  <URL> (418)
http://www.selleckchem.com/products/nuzhenide.html

$$$$

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>  <Mol_ID> (419)
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>  <Formula> (419)
C30H48O5

>  <MolWeight> (419)
488.69912

>  <Cat> (419)
S9514

>  <Name> (419)
Rotundic acid

>  <Synonyms> (419)
Rutundic acid

>  <Target> (419)
Akt,mTOR,p38 MAPK

>  <Form> (419)
Free Base

>  <CAS> (419)
20137-37-5

>  <URL> (419)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/02262515262D

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  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (420)
4863

>  <Formula> (420)
C21H17N3O2S

>  <MolWeight> (420)
375.44358

>  <Cat> (420)
S8704

>  <Name> (420)
iCRT14

>  <Synonyms> (420)
N/A

>  <Target> (420)
Wnt/beta-catenin

>  <Form> (420)
free base

>  <CAS> (420)
677331-12-3

>  <URL> (420)
http://www.selleck.cn/products/icrt14.html

$$$$

csChFnd80/02262515262D

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 10 15  1  0  0  0  0
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M  END
>  <Mol_ID> (421)
4897

>  <Formula> (421)
C14H12N2O4

>  <MolWeight> (421)
272.25608

>  <Cat> (421)
S6568

>  <Name> (421)
ML346

>  <Synonyms> (421)
N/A

>  <Target> (421)
HSP (HSP90)

>  <Form> (421)
Free Base

>  <CAS> (421)
100872-83-1

>  <URL> (421)
http://www.selleck.cn/products/ml346.html

$$$$

csChFnd80/02262515262D

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  3  5  1  0  0  0  0
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M  END
>  <Mol_ID> (422)
4911

>  <Formula> (422)
C19H17N7O3

>  <MolWeight> (422)
391.38338

>  <Cat> (422)
S6616

>  <Name> (422)
ETC-159

>  <Synonyms> (422)
ETC-1922159

>  <Target> (422)
PORCN

>  <Form> (422)
Free Base

>  <CAS> (422)
1638250-96-0

>  <URL> (422)
http://www.selleck.cn/products/etc-159.html

$$$$

csChFnd80/02262515262D

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M  END
>  <Mol_ID> (423)
4921

>  <Formula> (423)
C17H12N4O2S

>  <MolWeight> (423)
336.36778

>  <Cat> (423)
S6628

>  <Name> (423)
E7820

>  <Synonyms> (423)
N/A

>  <Target> (423)
Others

>  <Form> (423)
Free Base

>  <CAS> (423)
289483-69-8

>  <URL> (423)
http://www.selleck.cn/products/e7820.html

$$$$

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ROCK

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Free Base

>  <CAS> (424)
867017-68-3

>  <URL> (424)
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4942

>  <Formula> (425)
C21H22ClN3OS2

>  <MolWeight> (425)
432.00188

>  <Cat> (425)
S6718

>  <Name> (425)
MKT-077

>  <Synonyms> (425)
FJ-776

>  <Target> (425)
Dyes

>  <Form> (425)
Free Base

>  <CAS> (425)
147366-41-4

>  <URL> (425)
http://www.selleck.cn/products/mkt-077.html

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>  <Formula> (426)
C24H21Cl2N3OS3

>  <MolWeight> (426)
534.54404

>  <Cat> (426)
S6721

>  <Name> (426)
JG98

>  <Synonyms> (426)
N/A

>  <Target> (426)
Apoptosis related,HSP (HSP90)

>  <Form> (426)
Free Base

>  <CAS> (426)
1456551-16-8

>  <URL> (426)
http://www.selleck.cn/products/jg98.html

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>  <Mol_ID> (427)
4944

>  <Formula> (427)
C22H23F3N8O

>  <MolWeight> (427)
472.4662296

>  <Cat> (427)
S6723

>  <Name> (427)
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>  <Synonyms> (427)
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>  <Target> (427)
PKC

>  <Form> (427)
Free Base

>  <CAS> (427)
1874276-76-2

>  <URL> (427)
http://www.selleck.cn/products/lxs-196.html

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M  END
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4962

>  <Formula> (428)
C25H26N2O5

>  <MolWeight> (428)
434.48434

>  <Cat> (428)
S6745

>  <Name> (428)
JW55

>  <Synonyms> (428)
N/A

>  <Target> (428)
PARP,Wnt/beta-catenin

>  <Form> (428)
Free Base

>  <CAS> (428)
664993-53-7

>  <URL> (428)
http://www.selleck.cn/products/jw55.html

$$$$

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M  END
>  <Mol_ID> (429)
4967

>  <Formula> (429)
C16H17N3O2

>  <MolWeight> (429)
283.32508

>  <Cat> (429)
S6751

>  <Name> (429)
Brevianamide F

>  <Synonyms> (429)
N/A

>  <Target> (429)
Others

>  <Form> (429)
Free Base

>  <CAS> (429)
38136-70-8

>  <URL> (429)
http://www.selleck.cn/products/brevianamide-f.html

$$$$

csChFnd80/02262515262D

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M  END
>  <Mol_ID> (430)
4972

>  <Formula> (430)
C25H26N8O

>  <MolWeight> (430)
454.52694

>  <Cat> (430)
S7716

>  <Name> (430)
Pimitespib (TAS-116)

>  <Synonyms> (430)
N/A

>  <Target> (430)
HSP (HSP90)

>  <Form> (430)
Free Base

>  <CAS> (430)
1260533-36-5

>  <URL> (430)
http://www.selleck.cn/products/tas-116.html

$$$$

csChFnd80/02262515262D

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>  <Mol_ID> (431)
4980

>  <Formula> (431)
C36H32N6O3

>  <MolWeight> (431)
596.67768

>  <Cat> (431)
S8839

>  <Name> (431)
Borussertib

>  <Synonyms> (431)
N/A

>  <Target> (431)
Akt

>  <Form> (431)
Free Base

>  <CAS> (431)
1800070-77-2

>  <URL> (431)
http://www.selleck.cn/products/borussertib.html

$$$$

csChFnd80/02262515262D

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  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
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 16 11  1  0  0  0  0
  9 17  1  0  0  0  0
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M  END
>  <Mol_ID> (432)
4981

>  <Formula> (432)
C18H20N8O2

>  <MolWeight> (432)
380.4038

>  <Cat> (432)
S8843

>  <Name> (432)
AZD7648

>  <Synonyms> (432)
N/A

>  <Target> (432)
DNA-PK

>  <Form> (432)
Free Base

>  <CAS> (432)
2230820-11-6

>  <URL> (432)
http://www.selleck.cn/products/azd7648.html

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csChFnd80/02262515262D

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>  <Mol_ID> (433)
4985

>  <Formula> (433)
C15H19N3O2

>  <MolWeight> (433)
273.33026

>  <Cat> (433)
S8861

>  <Name> (433)
Mavacamten (MYK-461)

>  <Synonyms> (433)
SAR439152

>  <Target> (433)
MLCK

>  <Form> (433)
Free Base

>  <CAS> (433)
1642288-47-8

>  <URL> (433)
http://www.selleck.cn/products/myk-461.html

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csChFnd80/02262515262D

 21 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (434)
4998

>  <Formula> (434)
C18H37NO2

>  <MolWeight> (434)
299.49188

>  <Cat> (434)
S2210

>  <Name> (434)
Sphingosine

>  <Synonyms> (434)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (434)
Others

>  <Form> (434)
Free Base

>  <CAS> (434)
123-78-4

>  <URL> (434)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/02262515262D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (435)
5018

>  <Formula> (435)
C26H30F3N7O2

>  <MolWeight> (435)
529.5573096

>  <Cat> (435)
S6662

>  <Name> (435)
AST-487 (NVP-AST487)

>  <Synonyms> (435)
N/A

>  <Target> (435)
Bcr-Abl,c-Kit,c-RET,FLT3

>  <Form> (435)
Free Base

>  <CAS> (435)
630124-46-8

>  <URL> (435)
http://www.selleck.cn/products/ast-487.html

$$$$

csChFnd80/02262515262D

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 14  7  2  0  0  0  0
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>  <Mol_ID> (436)
5025

>  <Formula> (436)
C23H19ClF2N2O3

>  <MolWeight> (436)
444.8583664

>  <Cat> (436)
S6673

>  <Name> (436)
CCG-222740

>  <Synonyms> (436)
N/A

>  <Target> (436)
Actin,Rho

>  <Form> (436)
Free Base

>  <CAS> (436)
1922098-69-8

>  <URL> (436)
http://www.selleck.cn/products/ccg-222740.html

$$$$

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  1 29  2  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
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  7  8  1  0  0  0  0
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M  END
>  <Mol_ID> (437)
5035

>  <Formula> (437)
C23H21N5O

>  <MolWeight> (437)
383.44574

>  <Cat> (437)
S8500

>  <Name> (437)
BAY1125976

>  <Synonyms> (437)
N/A

>  <Target> (437)
Akt

>  <Form> (437)
Free Base

>  <CAS> (437)
1402608-02-9

>  <URL> (437)
http://www.selleck.cn/products/bay1125976.html

$$$$

csChFnd80/02262515262D

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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (438)
5064

>  <Formula> (438)
C13H17N3O2

>  <MolWeight> (438)
247.29298

>  <Cat> (438)
S2444

>  <Name> (438)
Parbendazole

>  <Synonyms> (438)
SKF 29044

>  <Target> (438)
Microtubule Associated

>  <Form> (438)
Free Base

>  <CAS> (438)
14255-87-9

>  <URL> (438)
http://www.selleck.cn/products/parbendazole.html

$$$$

csChFnd80/02262515262D

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M  END
>  <Mol_ID> (439)
5091

>  <Formula> (439)
C46H51F3N6O8S2

>  <MolWeight> (439)
937.0577496

>  <Cat> (439)
S8953

>  <Name> (439)
ASP4132

>  <Synonyms> (439)
N/A

>  <Target> (439)
AMPK

>  <Form> (439)
Free Base

>  <CAS> (439)
1640294-30-9

>  <URL> (439)
http://www.selleckchem.com/products/asp4132.html

$$$$

csChFnd80/02262515262D

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  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 28 32  2  0  0  0  0
 29 33  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (440)
5092

>  <Formula> (440)
C26H23N5O2

>  <MolWeight> (440)
437.49312

>  <Cat> (440)
S8961

>  <Name> (440)
Alobresib (GS-5829)

>  <Synonyms> (440)
N/A

>  <Target> (440)
Akt,Apoptosis related,Epigenetic Reader Domain,ERK,Myc,NF-¦ÊB

>  <Form> (440)
Free Base

>  <CAS> (440)
1637771-14-2

>  <URL> (440)
http://www.selleckchem.com/products/alobresib.html

$$$$

csChFnd80/02262515262D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    5.0520    0.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
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  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 18  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
>  <Mol_ID> (441)
5099

>  <Formula> (441)
C19H19N5

>  <MolWeight> (441)
317.38766

>  <Cat> (441)
S2642

>  <Name> (441)
1-Naphthyl PP1(1-NA-PP1)

>  <Synonyms> (441)
N/A

>  <Target> (441)
Bcr-Abl,CaMK,CDK,PKD,Src

>  <Form> (441)
Free Base

>  <CAS> (441)
221243-82-9

>  <URL> (441)
http://www.selleckchem.com/products/1-na-pp1.html

$$$$

csChFnd80/02262515262D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    2.7917    3.6314    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141    4.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1030    7.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1940    6.0621    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4920    2.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5789    2.9312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0049    4.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0318    6.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6920    7.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8960    7.2780    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
  1  3  1  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  2  0  0  0  0
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 14 17  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (442)
5124

>  <Formula> (442)
C12H8ClNO4S

>  <MolWeight> (442)
297.71422

>  <Cat> (442)
S6796

>  <Name> (442)
BTB-1

>  <Synonyms> (442)
N/A

>  <Target> (442)
Kinesin

>  <Form> (442)
Free Base

>  <CAS> (442)
86030-08-2

>  <URL> (442)
http://www.selleckchem.com/products/btb-1.html

$$$$

csChFnd80/02262515262D

 61 66  0  0  0  0  0  0  0  0999 V2000
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    0.5107   14.9466    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9059   12.5300    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.6912   13.1985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   29.5245    7.9450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7746   11.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3580   10.2404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7331    9.5428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166   14.4359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6078   10.2404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.9829    9.5428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (443)
5142

>  <Formula> (443)
C43H46F3N7O7S

>  <MolWeight> (443)
861.9282496

>  <Cat> (443)
S8888

>  <Name> (443)
GMB-475

>  <Synonyms> (443)
N/A

>  <Target> (443)
Bcr-Abl,E3 Ligase ,PROTAC

>  <Form> (443)
Free Base

>  <CAS> (443)
2490599-18-1

>  <URL> (443)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/02262515262D

 52 53  0  0  0  0  0  0  0  0999 V2000
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    9.2008    3.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4962    4.6950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6115    0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1439    5.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8239    2.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7715    7.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1138    8.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6115    4.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4612    1.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6945   10.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422   10.8289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2488    3.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6736    2.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6642    3.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0985    2.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8720    4.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0891    3.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 16  1  1  6  0  0  0
  1 32  1  0  0  0  0
 21  2  1  6  0  0  0
  2 36  1  0  0  0  0
  3 22  2  0  0  0  0
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  7 42  1  0  0  0  0
  8 42  2  0  0  0  0
  9 14  1  0  0  0  0
  9 18  1  0  0  0  0
  9 22  1  0  0  0  0
 20 10  1  6  0  0  0
 10 29  1  0  0  0  0
 10 31  1  0  0  0  0
 11 27  1  0  0  0  0
 35 11  1  6  0  0  0
 30 12  1  1  0  0  0
 12 40  1  0  0  0  0
 41 13  1  6  0  0  0
 13 49  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 24 26  1  0  0  0  0
 24 28  1  1  0  0  0
 26 33  1  0  0  0  0
 29 30  1  0  0  0  0
 30 34  1  0  0  0  0
 34 37  1  0  0  0  0
 34 38  1  0  0  0  0
 35 39  1  0  0  0  0
 35 42  1  0  0  0  0
 39 44  1  0  0  0  0
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 43 45  1  0  0  0  0
 43 46  1  0  0  0  0
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 44 48  1  0  0  0  0
 47 50  1  0  0  0  0
 48 51  2  0  0  0  0
 50 52  2  0  0  0  0
 51 52  1  0  0  0  0
M  END
>  <Mol_ID> (444)
5166

>  <Formula> (444)
C39H65N5O8

>  <MolWeight> (444)
731.9621

>  <Cat> (444)
S0328

>  <Name> (444)
MMAF

>  <Synonyms> (444)
Monomethylauristatin F

>  <Target> (444)
ADC Cytotoxin,Microtubule Associated

>  <Form> (444)
Free Base

>  <CAS> (444)
745017-94-1

>  <URL> (444)
http://www.selleckchem.com/products/mmaf.html

$$$$

csChFnd80/02262515262D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.5124    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    7.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    5.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    5.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    7.5126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.5126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4620    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1620    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    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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  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
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 26 28  1  0  0  0  0
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M  END
>  <Mol_ID> (445)
5167

>  <Formula> (445)
C21H18F3N5O

>  <MolWeight> (445)
413.3957296

>  <Cat> (445)
S0360

>  <Name> (445)
EGFR Inhibitor

>  <Synonyms> (445)
EGFR-IN-12

>  <Target> (445)
EGFR,Microtubule Associated

>  <Form> (445)
Free Base

>  <CAS> (445)
879127-07-8

>  <URL> (445)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/02262515262D

 45 48  0  0  0  0  0  0  0  0999 V2000
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    6.7336    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9107    6.7253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.0651    7.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2775    5.3253    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4900    6.0253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4900    7.4253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.7223    8.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1055    6.9621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4900    4.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7028    4.6730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6928    1.7472    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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  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 11 12  2  0  0  0  0
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 29 22  1  0  0  0  0
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 32 26  1  0  0  0  0
 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
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 26 37  1  1  0  0  0
 30 38  1  1  0  0  0
 31 38  1  6  0  0  0
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M  END
>  <Mol_ID> (446)
5185

>  <Formula> (446)
C32H43ClN2O9

>  <MolWeight> (446)
635.14482

>  <Cat> (446)
S2447

>  <Name> (446)
Ansamitocin p-3 (Maytansinol isobutyrate, NSC292222)

>  <Synonyms> (446)
Antibiotic C 15003P3

>  <Target> (446)
ADC Cytotoxin,Microtubule Associated

>  <Form> (446)
Free Base

>  <CAS> (446)
66584-72-3

>  <URL> (446)
http://www.selleckchem.com/products/ansamitocin-p-3-maytansinol-isobutyrate.html

$$$$

csChFnd80/02262515262D

 38 41  0  0  0  0  0  0  0  0999 V2000
   10.4632    1.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8421    0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7411    1.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5642    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1200    1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6028    0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9821    0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8795    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   11.3168    5.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4164    4.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2731    3.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4080    2.2306    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
  1  4  2  0  0  0  0
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 20 24  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 26 31  2  0  0  0  0
 30 32  1  0  0  0  0
 29 33  1  0  0  0  0
 27 34  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 28 35  1  0  0  0  0
 25 26  1  0  0  0  0
 19 25  1  0  0  0  0
  1 17  1  0  0  0  0
 31 38  1  0  0  0  0
M  END
>  <Mol_ID> (447)
5210

>  <Formula> (447)
C30H28O8

>  <MolWeight> (447)
516.53852

>  <Cat> (447)
S7862

>  <Name> (447)
Rottlerin

>  <Synonyms> (447)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (447)
PKC

>  <Form> (447)
Free Base

>  <CAS> (447)
82-08-6

>  <URL> (447)
http://www.selleckchem.com/products/rottlerin.html

$$$$

csChFnd80/02262515262D

 32 37  0  0  0  0  0  0  0  0999 V2000
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  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 15  1  0  0  0  0
  8 18  2  0  0  0  0
  9 18  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 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
  3 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  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
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M  END
>  <Mol_ID> (448)
5212

>  <Formula> (448)
C21H25F2N7O2

>  <MolWeight> (448)
445.4657064

>  <Cat> (448)
S8784

>  <Name> (448)
PQR620

>  <Synonyms> (448)
N/A

>  <Target> (448)
mTOR

>  <Form> (448)
Free Base

>  <CAS> (448)
1927857-56-4

>  <URL> (448)
http://www.selleckchem.com/products/pqr620.html

$$$$

csChFnd80/02262515262D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  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
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 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> (449)
5251

>  <Formula> (449)
C16H18N2O2S

>  <MolWeight> (449)
302.39132

>  <Cat> (449)
S0279

>  <Name> (449)
Dimethylenastron

>  <Synonyms> (449)
Eg5 Inhibitor III

>  <Target> (449)
HSP (HSP90),Kinesin

>  <Form> (449)
free base

>  <CAS> (449)
863774-58-7

>  <URL> (449)
http://www.selleckchem.com/products/dimethylenastron.html

$$$$

csChFnd80/02262515262D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 13 20  2  0  0  0  0
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 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> (450)
5252

>  <Formula> (450)
C21H19N3O2S2

>  <MolWeight> (450)
409.52446

>  <Cat> (450)
S0294

>  <Name> (450)
HSF1A

>  <Synonyms> (450)
N/A

>  <Target> (450)
HSP (HSP90)

>  <Form> (450)
free base

>  <CAS> (450)
1196723-93-9

>  <URL> (450)
http://www.selleckchem.com/products/hsf1a.html

$$$$

csChFnd80/02262515262D

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 14 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  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  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 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> (451)
5256

>  <Formula> (451)
C24H21Cl2NO5

>  <MolWeight> (451)
474.33324

>  <Cat> (451)
S0314

>  <Name> (451)
TR-14035

>  <Synonyms> (451)
SB 683698, MDK-1191

>  <Target> (451)
Integrin

>  <Form> (451)
free base

>  <CAS> (451)
232271-19-1

>  <URL> (451)
http://www.selleckchem.com/products/tr-14035.html

$$$$

csChFnd80/02262515262D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    3.2496    7.8651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    6.0697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    3.2390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0993    9.3087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    1.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    5.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2943    7.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   10.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6644    7.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 15  2  0  0  0  0
  3 20  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5 20  1  0  0  0  0
  5 24  1  0  0  0  0
  6 27  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (452)
5265

>  <Formula> (452)
C22H16ClN3O2

>  <MolWeight> (452)
389.83434

>  <Cat> (452)
S0444

>  <Name> (452)
Indibulin

>  <Synonyms> (452)
ZIO 301, D 24851, Zybulin

>  <Target> (452)
Apoptosis related,Microtubule Associated

>  <Form> (452)
free base

>  <CAS> (452)
204205-90-3

>  <URL> (452)
http://www.selleckchem.com/products/Indibulin.html

$$$$

csChFnd80/02262515262D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0042    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    7.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    8.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7034    6.2763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9340   11.1347    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 12 13  1  0  0  0  0
 11 10  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  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (453)
5268

>  <Formula> (453)
C14H10N4O3S

>  <MolWeight> (453)
314.3192

>  <Cat> (453)
S0458

>  <Name> (453)
KY1220

>  <Synonyms> (453)
N/A

>  <Target> (453)
Ras,Wnt/beta-catenin

>  <Form> (453)
free base

>  <CAS> (453)
292168-79-7

>  <URL> (453)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/02262515262D

 41 42  0  0  0  0  0  0  0  0999 V2000
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    8.4871    4.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7638    1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3638    2.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3638    0.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.2089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.3089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.7089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 36  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8 17  2  0  0  0  0
  8 20  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 25  2  0  0  0  0
 12 23  1  0  0  0  0
 12 31  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
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 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
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 26 30  2  0  0  0  0
 27 28  2  0  0  0  0
 28 33  1  0  0  0  0
 28 35  1  0  0  0  0
 29 32  2  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 37 40  2  0  0  0  0
 37 41  1  0  0  0  0
M  END
>  <Mol_ID> (454)
5282

>  <Formula> (454)
C25H34N6O8S2

>  <MolWeight> (454)
610.70286

>  <Cat> (454)
S0785

>  <Name> (454)
Apilimod (STA-5326) mesylate

>  <Synonyms> (454)
STA-5326 mesylate

>  <Target> (454)
Interleukins,PIKfyve

>  <Form> (454)
mesylate

>  <CAS> (454)
870087-36-8

>  <URL> (454)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/02262515262D

 63 70  0  0  0  0  0  0  0  0999 V2000
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   13.7415    4.9438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9539    5.6438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9539    7.0438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7415    7.7438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3118    9.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3118    7.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7415    9.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0401    7.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0401    9.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8932    9.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4415    3.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8415    3.7313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7439    2.5231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0415    3.7313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5291    4.2438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7415    6.3438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1622    4.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1664    6.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3788    7.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7753    5.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3753    5.5414    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
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
 10  9  2  0  0  0  0
  9  6  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
 10 14  1  0  0  0  0
 10 11  1  0  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  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 18  1  6  0  0  0
 20 14  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 21  1  0  0  0  0
 23 25  1  6  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 17 28  1  1  0  0  0
 15 29  1  1  0  0  0
 29 30  2  0  0  0  0
 15 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 38  2  0  0  0  0
 37 34  2  0  0  0  0
 34 31  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 37 41  1  0  0  0  0
 37 38  1  0  0  0  0
 41 40  1  0  0  0  0
 39 42  1  0  0  0  0
 40 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 47 49  1  0  0  0  0
 47 48  1  0  0  0  0
 41 48  1  1  0  0  0
 41 46  1  0  0  0  0
 46 49  1  0  0  0  0
 45 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 49  1  0  0  0  0
 43 53  1  0  0  0  0
 53 54  2  0  0  0  0
 53 55  1  0  0  0  0
 43 56  1  1  0  0  0
 40 57  1  1  0  0  0
 46 58  1  6  0  0  0
 44 59  1  1  0  0  0
 45 60  1  6  0  0  0
 60 61  1  0  0  0  0
 29 62  1  0  0  0  0
 62 63  1  0  0  0  0
M  END
>  <Mol_ID> (455)
5297

>  <Formula> (455)
C43H57N5O11S

>  <MolWeight> (455)
852.00458

>  <Cat> (455)
S2440

>  <Name> (455)
Vindesine sulfate

>  <Synonyms> (455)
Eldesine, Eldisine, Desacetyl Vinblastine amide, Desacetylvinblastine amide, DAVA, DVA, VDS

>  <Target> (455)
Microtubule Associated

>  <Form> (455)
sulfate

>  <CAS> (455)
59917-39-4

>  <URL> (455)
http://www.selleckchem.com/products/vindesine-sulfate.html

$$$$

csChFnd80/02262515262D

 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> (456)
5307

>  <Formula> (456)
C7H7NO2

>  <MolWeight> (456)
137.13598

>  <Cat> (456)
S3220

>  <Name> (456)
Trigonelline

>  <Synonyms> (456)
Trigenolline

>  <Target> (456)
Akt,Anti-infection,Microtubule Associated,Phospholipase (e.g. PLA),PI3K

>  <Form> (456)
free base

>  <CAS> (456)
535-83-1

>  <URL> (456)
http://www.selleckchem.com/products/trigonelline.html

$$$$

csChFnd80/02262515262D

 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> (457)
5309

>  <Formula> (457)
C7H14O6

>  <MolWeight> (457)
194.18246

>  <Cat> (457)
S3223

>  <Name> (457)
L-Quebrachitol

>  <Synonyms> (457)
L-QCT

>  <Target> (457)
NF-¦ÊB,RUNX,TGF-beta/Smad,Wnt/beta-catenin

>  <Form> (457)
free base

>  <CAS> (457)
642-38-6

>  <URL> (457)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/02262515262D

 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> (458)
5310

>  <Formula> (458)
C26H34O6

>  <MolWeight> (458)
442.54456

>  <Cat> (458)
S3224

>  <Name> (458)
Cinobufagin

>  <Synonyms> (458)
Cinobufagine

>  <Target> (458)
Akt,Apoptosis related,ATM/ATR,Bcl-2,Caspase,CDK,Chk,PI3K

>  <Form> (458)
free base

>  <CAS> (458)
470-37-1

>  <URL> (458)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/02262515262D

 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> (459)
5317

>  <Formula> (459)
C24H32O4

>  <MolWeight> (459)
384.50848

>  <Cat> (459)
S3238

>  <Name> (459)
Resibufogenin

>  <Synonyms> (459)
Bufogenin, Recibufogenin

>  <Target> (459)
Akt,Apoptosis related,Bcl-2,Caspase,CDK,GSK-3,Mixed Lineage Kinase,PI3K,RIP kinase,ROS,Wnt/beta-catenin

>  <Form> (459)
free base

>  <CAS> (459)
465-39-4

>  <URL> (459)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/02262515262D

 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> (460)
5319

>  <Formula> (460)
C17H18O4

>  <MolWeight> (460)
286.32242

>  <Cat> (460)
S3241

>  <Name> (460)
Loureirin A

>  <Synonyms> (460)
N/A

>  <Target> (460)
Akt,PI3K

>  <Form> (460)
free base

>  <CAS> (460)
119425-89-7

>  <URL> (460)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/02262515262D

 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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2082    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2704    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (461)
5345

>  <Formula> (461)
C30H16O8

>  <MolWeight> (461)
504.44324

>  <Cat> (461)
S3273

>  <Name> (461)
Hypericin

>  <Synonyms> (461)
Hyp, HY

>  <Target> (461)
Hydroxylase,MAO,P450 (e.g. CYP17),PKC,Reverse Transcriptase,Telomerase

>  <Form> (461)
free base

>  <CAS> (461)
548-04-9

>  <URL> (461)
http://www.selleckchem.com/products/hypericin.html

$$$$

csChFnd80/02262515262D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3666    2.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.7295    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4781    2.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    4.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    7.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5789    6.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    0.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5789    4.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    4.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    6.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (462)
5358

>  <Formula> (462)
C19H12O7

>  <MolWeight> (462)
352.29438

>  <Cat> (462)
S3289

>  <Name> (462)
Daphnoretin

>  <Synonyms> (462)
Dephnoretin, Thymelol

>  <Target> (462)
Akt,Apoptosis related,PKC

>  <Form> (462)
free base

>  <CAS> (462)
2034-69-7

>  <URL> (462)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/02262515262D

 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
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4207    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0580    4.8927    0.0000 N   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
    4.8455    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (463)
5362

>  <Formula> (463)
C16H17NO3

>  <MolWeight> (463)
271.31108

>  <Cat> (463)
S3294

>  <Name> (463)
Demethyl-Coclaurine

>  <Synonyms> (463)
Higenamine, Norcoclaurine

>  <Target> (463)
Adrenergic Receptor,Akt,Apoptosis related,PI3K

>  <Form> (463)
free base

>  <CAS> (463)
5843-65-2

>  <URL> (463)
http://www.selleckchem.com/products/demethyl-coclaurine.html

$$$$

csChFnd80/02262515262D

 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
    6.2903    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (464)
5364

>  <Formula> (464)
C16H12O6

>  <MolWeight> (464)
300.26288

>  <Cat> (464)
S3296

>  <Name> (464)
Hispidulin

>  <Synonyms> (464)
Dinatin

>  <Target> (464)
Akt,AMPK,Apoptosis related,Mitochondrial Metabolism,PI3K,Pim

>  <Form> (464)
free base

>  <CAS> (464)
1447-88-7

>  <URL> (464)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/02262515262D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 10  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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 17 20  1  0  0  0  0
 13 14  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 31  1  0  0  0  0
 24 27  1  0  0  0  0
 13 21  1  0  0  0  0
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  2  3  1  0  0  0  0
  1 34  1  0  0  0  0
M  END
>  <Mol_ID> (465)
5381

>  <Formula> (465)
C27H33ClN2O4

>  <MolWeight> (465)
485.01492

>  <Cat> (465)
S6760

>  <Name> (465)
LM22B-10

>  <Synonyms> (465)
N/A

>  <Target> (465)
Akt,ERK,Trk receptor

>  <Form> (465)
free base

>  <CAS> (465)
342777-54-2

>  <URL> (465)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/02262515262D

 33 38  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
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  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
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  3 19  1  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
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 11 12  2  0  0  0  0
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 13 15  2  0  0  0  0
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 15 16  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
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (466)
5386

>  <Formula> (466)
C27H24N6

>  <MolWeight> (466)
432.51966

>  <Cat> (466)
S6811

>  <Name> (466)
Miransertib (ARQ-092)

>  <Synonyms> (466)
N/A

>  <Target> (466)
Akt

>  <Form> (466)
free base

>  <CAS> (466)
1313881-70-7

>  <URL> (466)
http://www.selleckchem.com/products/miransertib.html

$$$$

csChFnd80/02262515262D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  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
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (467)
5389

>  <Formula> (467)
C15H18Cl2N2O2S

>  <MolWeight> (467)
361.28662

>  <Cat> (467)
S6847

>  <Name> (467)
ML-9 HCl

>  <Synonyms> (467)
ML-9 hydrochloride

>  <Target> (467)
Akt,Autophagy,Calcium Channel,MLCK

>  <Form> (467)
hydrochloride

>  <CAS> (467)
105637-50-1

>  <URL> (467)
http://www.selleckchem.com/products/ml-9-hcl.html

$$$$

csChFnd80/02262515262D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (468)
5408

>  <Formula> (468)
C20H12N2OS4

>  <MolWeight> (468)
424.58208

>  <Cat> (468)
S6898

>  <Name> (468)
RCM-1

>  <Synonyms> (468)
Robert Costa Memorial drug-1

>  <Target> (468)
FOXM1,Interleukins,STAT,Wnt/beta-catenin

>  <Form> (468)
free base

>  <CAS> (468)
339163-65-4

>  <URL> (468)
http://www.selleckchem.com/products/rcm-1.html

$$$$

csChFnd80/02262515262D

 26 29  0  0  0  0  0  0  0  0999 V2000
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    8.3545    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2082    4.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5669    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9918    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9918    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8415    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6291    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (469)
5435

>  <Formula> (469)
C18H19N5O3

>  <MolWeight> (469)
353.37516

>  <Cat> (469)
S8965

>  <Name> (469)
BO-264

>  <Synonyms> (469)
N/A

>  <Target> (469)
Apoptosis related,FGFR,TACC3

>  <Form> (469)
free base

>  <CAS> (469)
2408648-20-2

>  <URL> (469)
http://www.selleckchem.com/products/bo-264.html

$$$$

csChFnd80/02262515262D

 30 35  0  0  0  0  0  0  0  0999 V2000
   12.6544    7.6448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8171    1.3309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1080    2.6928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1054    6.0513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7951    7.5662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8914    1.3309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3303    7.1802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8914    3.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667    3.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667    1.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3264    4.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6587    5.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7085    2.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    3.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    1.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7899    4.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5055    6.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1138    4.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3264    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9328    3.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6876    6.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3257    3.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0805    6.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8995    5.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 18  1  0  0  0  0
  2 26  1  0  0  0  0
  3 19  1  0  0  0  0
  3 26  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 20  2  0  0  0  0
  6 21  2  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 23  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 22  1  0  0  0  0
 17 25  2  0  0  0  0
 18 19  2  0  0  0  0
 22 24  2  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (470)
5445

>  <Formula> (470)
C22H13FN2O5

>  <MolWeight> (470)
404.3474232

>  <Cat> (470)
S9602

>  <Name> (470)
Elraglusib

>  <Synonyms> (470)
9-ing-41

>  <Target> (470)
Apoptosis related,GSK-3

>  <Form> (470)
free base

>  <CAS> (470)
1034895-42-5

>  <URL> (470)
http://www.selleckchem.com/products/9-ing-41.html

$$$$

csChFnd80/02262515262D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.6333    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6333    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2104    3.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2706    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4830    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6954    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4830    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    2.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1163    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    3.7799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2626    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3320    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3952    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    2.3869    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0857    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
>  <Mol_ID> (471)
5446

>  <Formula> (471)
C13H16F3N5O

>  <MolWeight> (471)
315.2942496

>  <Cat> (471)
S9604

>  <Name> (471)
IM156

>  <Synonyms> (471)
HL156A

>  <Target> (471)
AMPK,Apoptosis related,OXPHOS

>  <Form> (471)
free base

>  <CAS> (471)
1422365-93-2

>  <URL> (471)
http://www.selleckchem.com/products/im156.html

$$$$

csChFnd80/02262515262D

 21 20  0  0  0  0  0  0  0  0999 V2000
   10.9120    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (472)
5449

>  <Formula> (472)
C18H32O3

>  <MolWeight> (472)
296.44488

>  <Cat> (472)
S9611

>  <Name> (472)
ABTL-0812

>  <Synonyms> (472)
¦Á-Hydroxylinoleic acid

>  <Target> (472)
Akt,Autophagy,mTOR,ROS

>  <Form> (472)
free base

>  <CAS> (472)
57818-44-7

>  <URL> (472)
http://www.selleckchem.com/products/abtl-0812.html

$$$$

csChFnd80/02262515262D

 34 38  0  0  0  0  0  0  0  0999 V2000
    4.8115    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2363    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0239    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4488    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  9 10  2  0  0  0  0
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  1 11  1  0  0  0  0
  7 12  1  0  0  0  0
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 17 11  2  0  0  0  0
 16 18  1  0  0  0  0
 13 19  2  0  0  0  0
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 20 21  2  0  0  0  0
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 29 33  1  0  0  0  0
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M  END
>  <Mol_ID> (473)
5456

>  <Formula> (473)
C25H20FN7O

>  <MolWeight> (473)
453.4710032

>  <Cat> (473)
S9658

>  <Name> (473)
SP-96

>  <Synonyms> (473)
N/A

>  <Target> (473)
Aurora Kinase

>  <Form> (473)
free base

>  <CAS> (473)
2682114-54-9

>  <URL> (473)
http://www.selleckchem.com/products/sp-146.html

$$$$

csChFnd80/02262515262D

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    2.6140    7.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    6.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260    8.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1300    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5549    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 10 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 11  1  0  0  0  0
  8 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  9  2  0  0  0  0
  9 10  1  0  0  0  0
  7  8  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
  5 20  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 22  2  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 19  1  0  0  0  0
 27 30  2  0  0  0  0
  1 31  1  6  0  0  0
  2 32  1  1  0  0  0
  3 34  1  1  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (474)
5462

>  <Formula> (474)
C28H26N4O3

>  <MolWeight> (474)
466.53104

>  <Cat> (474)
S1421

>  <Name> (474)
Staurosporine (AM-2282)

>  <Synonyms> (474)
Antibiotic AM-2282, STS

>  <Target> (474)
ADC Cytotoxin,Antineoplastic and Immunosuppressive Antibiotics,CaMK,PKA,PKC,PKG,S6 Kinase

>  <Form> (474)
Free Base

>  <CAS> (474)
62996-74-1

>  <URL> (474)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/02262515262D

 46 45  0  0  0  0  0  0  0  0999 V2000
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    2.4333    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5661    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  2  0  0  0  0
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 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
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M  END
>  <Mol_ID> (475)
5464

>  <Formula> (475)
C45H74O

>  <MolWeight> (475)
631.06846

>  <Cat> (475)
S2360

>  <Name> (475)
Solanesol (Nonaisoprenol)

>  <Synonyms> (475)
Nonaisoprenol, Betulanonaprenol

>  <Target> (475)
FAK

>  <Form> (475)
Free Base

>  <CAS> (475)
13190-97-1

>  <URL> (475)
https://www.selleckchem.com/products/solanesol-nonaisoprenol.html

$$$$

csChFnd80/02262515262D

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  2  7  1  0  0  0  0
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  2 22  1  0  0  0  0
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  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> (476)
5488

>  <Formula> (476)
C21H18N2O

>  <MolWeight> (476)
314.38042

>  <Cat> (476)
S0765

>  <Name> (476)
MAZ51

>  <Synonyms> (476)
N/A

>  <Target> (476)
Akt,Apoptosis related,GSK-3,Rho,VEGFR

>  <Form> (476)
Free Base

>  <CAS> (476)
163655-37-6

>  <URL> (476)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/02262515262D

 80 89  0  0  0  0  0  0  0  0999 V2000
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 36  1  1  6  0  0  0
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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (477)
5499

>  <Formula> (477)
C51H82O21

>  <MolWeight> (477)
1031.18418

>  <Cat> (477)
S9156

>  <Name> (477)
Chonglou Saponin VII

>  <Synonyms> (477)
Dioscinin, Polyphyllin-VII, Paris saponin-VII

>  <Target> (477)
GSK-3

>  <Form> (477)
Free Base

>  <CAS> (477)
68124-04-9

>  <URL> (477)
https://www.selleckchem.com/products/chonglou-saponin-vii.html

$$$$

csChFnd80/02262515262D

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M  END
>  <Mol_ID> (478)
5508

>  <Formula> (478)
C42H70O12

>  <MolWeight> (478)
766.998

>  <Cat> (478)
S9210

>  <Name> (478)
Ginsenoside Rk1

>  <Synonyms> (478)
N/A

>  <Target> (478)
Others

>  <Form> (478)
Free Base

>  <CAS> (478)
494753-69-4

>  <URL> (478)
https://www.selleckchem.com/products/ginsenoside-rk1.html

$$$$

csChFnd80/02262515262D

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M  END
>  <Mol_ID> (479)
5516

>  <Formula> (479)
C19H20O5

>  <MolWeight> (479)
328.3591

>  <Cat> (479)
S9264

>  <Name> (479)
Decursin

>  <Synonyms> (479)
N/A

>  <Target> (479)
Immunology & Inflammation related

>  <Form> (479)
Free Base

>  <CAS> (479)
5928-25-6

>  <URL> (479)
https://www.selleckchem.com/products/decursin.html

$$$$

csChFnd80/02262515262D

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M  END
>  <Mol_ID> (480)
5525

>  <Formula> (480)
C57H92O28

>  <MolWeight> (480)
1225.32358

>  <Cat> (480)
S9304

>  <Name> (480)
Platycodin D

>  <Synonyms> (480)
N/A

>  <Target> (480)
Immunology & Inflammation related

>  <Form> (480)
Free Base

>  <CAS> (480)
58479-68-8

>  <URL> (480)
https://www.selleckchem.com/products/platycodin-d.html

$$$$

csChFnd80/02262515262D

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M  END
>  <Mol_ID> (481)
5583

>  <Formula> (481)
C17H16FN5

>  <MolWeight> (481)
309.3408432

>  <Cat> (481)
S0373

>  <Name> (481)
CZC-8004

>  <Synonyms> (481)
CZC-00008004

>  <Target> (481)
Bcr-Abl

>  <Form> (481)
Free Base

>  <CAS> (481)
916603-07-1

>  <URL> (481)
https://www.selleckchem.com/products/czc-8004.html

$$$$

csChFnd80/02262515262D

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    6.4861    2.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6409    0.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2919    7.9139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
  3 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 12 13  1  0  0  0  0
  1 12  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (482)
5604

>  <Formula> (482)
C16H12ClNO

>  <MolWeight> (482)
269.72558

>  <Cat> (482)
S0780

>  <Name> (482)
Oncrasin-1

>  <Synonyms> (482)
N/A

>  <Target> (482)
DNA/RNA Synthesis,PKC

>  <Form> (482)
Free Base

>  <CAS> (482)
75629-57-1

>  <URL> (482)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/02262515262D

 24 26  0  0  0  0  0  0  0  0999 V2000
   13.5967    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4726    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5269    3.8274    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1469    7.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    5.6630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4083    4.9150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0497    3.5702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2938    5.7278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8015    4.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4991    3.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8992    3.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7991    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6463    6.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2200    4.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5993    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4991    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    3.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8991    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    2.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2 24  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  2  0  0  0  0
  5 18  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (483)
5608

>  <Formula> (483)
C16H11Cl2N3O2S

>  <MolWeight> (483)
380.24844

>  <Cat> (483)
S0795

>  <Name> (483)
O-304

>  <Synonyms> (483)
O-304X

>  <Target> (483)
AMPK

>  <Form> (483)
Free Base

>  <CAS> (483)
1261289-04-6

>  <URL> (483)
https://www.selleckchem.com/products/o-304.html

$$$$

csChFnd80/02262515262D

 32 36  0  0  0  0  0  0  0  0999 V2000
   11.3555    6.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5018    2.5251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   10.2794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9346    3.8565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   13.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    8.1794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6516    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2923    5.6084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018    2.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8641    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    3.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0766    6.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    4.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2229    4.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5540    2.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3388    1.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 28  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  1  0  0  0  0
  7 21  2  0  0  0  0
  7 25  1  0  0  0  0
  8 22  1  0  0  0  0
  8 25  2  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (484)
5629

>  <Formula> (484)
C22H31N9O

>  <MolWeight> (484)
437.54124

>  <Cat> (484)
S1272

>  <Name> (484)
XL228

>  <Synonyms> (484)
N/A

>  <Target> (484)
Aurora Kinase,Bcr-Abl,IGF-1R,Src

>  <Form> (484)
Free Base

>  <CAS> (484)
898280-07-4

>  <URL> (484)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/02262515262D

 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
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    3.6339    2.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0033    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0573    4.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2137    0.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2592    2.7882    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  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
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 11 19  1  0  0  0  0
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 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
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 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
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 39 40  1  0  0  0  0
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 43 38  1  0  0  0  0
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M  END
>  <Mol_ID> (485)
5630

>  <Formula> (485)
C29H30O13

>  <MolWeight> (485)
586.5407

>  <Cat> (485)
S1273

>  <Name> (485)
Amarogentin

>  <Synonyms> (485)
AG

>  <Target> (485)
Akt,AMPK,Apoptosis related,PI3K,Taste Receptor,TNF-alpha

>  <Form> (485)
Free Base

>  <CAS> (485)
21018-84-8

>  <URL> (485)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/02262515262D

 16 18  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
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M  END
>  <Mol_ID> (486)
5632

>  <Formula> (486)
C13H8O3

>  <MolWeight> (486)
212.20082

>  <Cat> (486)
S1321

>  <Name> (486)
Urolithin B

>  <Synonyms> (486)
N/A

>  <Target> (486)
Akt,AMPK,ERK,I¦ÊB/IKK,JNK,NF-¦ÊB

>  <Form> (486)
Free Base

>  <CAS> (486)
1139-83-9

>  <URL> (486)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/02262515262D

 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> (487)
5633

>  <Formula> (487)
C16H12O3

>  <MolWeight> (487)
252.26468

>  <Cat> (487)
S1323

>  <Name> (487)
7-Methoxyisoflavone

>  <Synonyms> (487)
MIF

>  <Target> (487)
AMPK

>  <Form> (487)
Free Base

>  <CAS> (487)
1621-56-3

>  <URL> (487)
https://www.selleckchem.com/products/7-methoxyisoflavone.html

$$$$

csChFnd80/02262515262D

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.2267    2.2209    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   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> (488)
5637

>  <Formula> (488)
C30H36Br2N4O2

>  <MolWeight> (488)
644.44044

>  <Cat> (488)
S2942

>  <Name> (488)
EB-3D

>  <Synonyms> (488)
N/A

>  <Target> (488)
AMPK,Apoptosis related,Choline kinase

>  <Form> (488)
Free Base

>  <CAS> (488)
1839150-63-8

>  <URL> (488)
https://www.selleckchem.com/products/eb-3d.html

$$$$

csChFnd80/02262515262D

 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
    1.7332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    0.7193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    2.1776    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 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> (489)
5640

>  <Formula> (489)
C13H17Cl2N3O2S

>  <MolWeight> (489)
350.26398

>  <Cat> (489)
S2964

>  <Name> (489)
HA-100 dihydrochloride

>  <Synonyms> (489)
N/A

>  <Target> (489)
MLCK,PKA,PKC,PKG

>  <Form> (489)
Dihydrochloride

>  <CAS> (489)
210297-47-5

>  <URL> (489)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/02262515262D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    4.6326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0166    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  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> (490)
5736

>  <Formula> (490)
C17H20N6O2S

>  <MolWeight> (490)
372.4447

>  <Cat> (490)
S6517

>  <Name> (490)
GNE-493

>  <Synonyms> (490)
N/A

>  <Target> (490)
mTOR,PI3K

>  <Form> (490)
Free Base

>  <CAS> (490)
1033735-94-2

>  <URL> (490)
https://www.selleckchem.com/products/gne-493.html

$$$$

csChFnd80/02262515262D

 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
    2.4248    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 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> (491)
5740

>  <Formula> (491)
C15H15NO4S

>  <MolWeight> (491)
305.3489

>  <Cat> (491)
S6901

>  <Name> (491)
MSAB

>  <Synonyms> (491)
N/A

>  <Target> (491)
Wnt/beta-catenin

>  <Form> (491)
Free Base

>  <CAS> (491)
173436-66-3

>  <URL> (491)
https://www.selleckchem.com/products/msab.html

$$$$

csChFnd80/02262515262D

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    4.8413    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7322    4.1951    0.0000 I   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
  3  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
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 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 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> (492)
5743

>  <Formula> (492)
C26H24IN7O

>  <MolWeight> (492)
577.41953

>  <Cat> (492)
S6912

>  <Name> (492)
Vacuolin-1

>  <Synonyms> (492)
N/A

>  <Target> (492)
Autophagy,PIKfyve

>  <Form> (492)
Free Base

>  <CAS> (492)
351986-85-1

>  <URL> (492)
https://www.selleckchem.com/products/vacuolin-1.html

$$$$

csChFnd80/02262515262D

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  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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M  END
>  <Mol_ID> (493)
5808

>  <Formula> (493)
C29H29N7O3S

>  <MolWeight> (493)
555.65066

>  <Cat> (493)
S8948

>  <Name> (493)
SRX3207

>  <Synonyms> (493)
N/A

>  <Target> (493)
Epigenetic Reader Domain,PI3K,Syk

>  <Form> (493)
Free Base

>  <CAS> (493)
2254693-15-5

>  <URL> (493)
http://www.selleckchem.com/products/srx3207.html

$$$$

csChFnd80/02262515262D

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M  END
>  <Mol_ID> (494)
5899

>  <Formula> (494)
C16H22O3

>  <MolWeight> (494)
262.34408

>  <Cat> (494)
S4572

>  <Name> (494)
Homosalate

>  <Synonyms> (494)
HMS, Homomenthyl salicylate

>  <Target> (494)
Akt,PI3K

>  <Form> (494)
Free Base

>  <CAS> (494)
118-56-9

>  <URL> (494)
http://www.selleckchem.com/products/homosalate.html

$$$$

csChFnd80/02262515262D

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M  END
>  <Mol_ID> (495)
5954

>  <Formula> (495)
C31H40N8O3S

>  <MolWeight> (495)
604.7661

>  <Cat> (495)
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>  <Name> (495)
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>  <Synonyms> (495)
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>  <Target> (495)
PI3K

>  <Form> (495)
Free Base

>  <CAS> (495)
1595129-71-7

>  <URL> (495)
http://www.selleckchem.com/products/me-401.html

$$$$

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M  END
>  <Mol_ID> (496)
5974

>  <Formula> (496)
C70H107N19O19S

>  <MolWeight> (496)
1550.77948

>  <Cat> (496)
S0339

>  <Name> (496)
Gap 26

>  <Synonyms> (496)
N/A

>  <Target> (496)
Gap-Junction

>  <Form> (496)
Free Base

>  <CAS> (496)
197250-15-0

>  <URL> (496)
http://www.selleckchem.com/products/gap-26.html

$$$$

csChFnd80/02262515262D

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>  <Mol_ID> (497)
5981

>  <Formula> (497)
C4H11N5

>  <MolWeight> (497)
129.16364

>  <Cat> (497)
S5958

>  <Name> (497)
Metformin

>  <Synonyms> (497)
1,1-Dimethylbiguanide

>  <Target> (497)
AMPK,Apoptosis related,JNK,Mitophagy,p38 MAPK

>  <Form> (497)
Free Base

>  <CAS> (497)
657-24-9

>  <URL> (497)
http://www.selleckchem.com/products/metformin.html

$$$$

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    0.0000    2.0999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4869    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1241    2.1001    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
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  4  5  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
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 18 19  2  0  0  0  0
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 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
>  <Mol_ID> (498)
6008

>  <Formula> (498)
C13H9ClFN3O3

>  <MolWeight> (498)
309.6802632

>  <Cat> (498)
S9806

>  <Name> (498)
DTHIB

>  <Synonyms> (498)
N/A

>  <Target> (498)
HSP (HSP90)

>  <Form> (498)
Free Base

>  <CAS> (498)
897326-30-6

>  <URL> (498)
http://www.selleckchem.com/products/dthib.html

$$$$

csChFnd80/02262515262D

 41 43  0  0  0  0  0  0  0  0999 V2000
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   10.9911    8.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374   14.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 28  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  1  0  0  0  0
  5 24  2  0  0  0  0
  7 14  1  0  0  0  0
  7 25  1  0  0  0  0
  7 29  1  0  0  0  0
  8 15  1  0  0  0  0
  8 24  1  0  0  0  0
  9 21  1  0  0  0  0
  9 33  1  0  0  0  0
 10 29  2  0  0  0  0
 10 30  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  2  0  0  0  0
 12 33  2  0  0  0  0
 12 37  1  0  0  0  0
 13 39  1  0  0  0  0
 13 41  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 28  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 27  1  0  0  0  0
 22 31  1  0  0  0  0
 25 30  2  0  0  0  0
 26 27  2  0  0  0  0
 30 32  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  2  0  0  0  0
 36 37  2  0  0  0  0
 38 40  2  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (499)
6013

>  <Formula> (499)
C28H25ClF3N7O2

>  <MolWeight> (499)
583.9920096

>  <Cat> (499)
S4895

>  <Name> (499)
Nilotinib hydrochloride monohydrate

>  <Synonyms> (499)
Tasigna, AMN-107 hydrochloride monohydrate

>  <Target> (499)
AMPK,Autophagy,Bcr-Abl

>  <Form> (499)
Hydrochloride monohydrate

>  <CAS> (499)
923288-90-8

>  <URL> (499)
http://www.selleckchem.com/products/nilotinib-hydrochloride-monohydrate.html

$$$$

csChFnd80/02262515262D

 40 45  0  0  0  0  0  0  0  0999 V2000
    7.4067    5.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3382    1.3912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6728    5.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3696    7.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6134    8.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5722    5.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6021    4.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229    3.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7819    3.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1281    3.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    4.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    5.6140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6215    1.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31  5  2  0  0  0  0
 23 11  1  0  0  0  0
  8 11  2  0  0  0  0
 26  4  1  0  0  0  0
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 36 24  2  0  0  0  0
 19  8  1  0  0  0  0
 28 20  1  0  0  0  0
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  3  7  1  0  0  0  0
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 25  5  1  0  0  0  0
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 35  4  2  0  0  0  0
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 15  3  2  0  0  0  0
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 33 31  1  0  0  0  0
  3 26  1  0  0  0  0
 14 30  2  0  0  0  0
 13 23  1  0  0  0  0
 10 20  2  0  0  0  0
 12  6  1  0  0  0  0
  7  9  2  0  0  0  0
 32  9  1  0  0  0  0
  2 17  1  0  0  0  0
  5  4  1  0  0  0  0
 19 18  1  0  0  0  0
 21  1  1  0  0  0  0
 27 16  1  0  0  0  0
  6 24  1  0  0  0  0
 16  1  1  0  0  0  0
 31 15  1  0  0  0  0
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 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (500)
6048

>  <Formula> (500)
C30H26O10

>  <MolWeight> (500)
546.52144

>  <Cat> (500)
E0010

>  <Name> (500)
Hypocrellin A

>  <Synonyms> (500)
N/A

>  <Target> (500)
Antiviral,Bacterial,PKC

>  <Form> (500)
Free Base

>  <CAS> (500)
77029-83-5

>  <URL> (500)
http://www.selleckchem.com/products/hypocrellin-a.html

$$$$

csChFnd80/02262515262D

 35 39  0  0  0  0  0  0  0  0999 V2000
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    3.1248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9123    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 13  1  0  0  0  0
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 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
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 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
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 30 31  1  0  0  0  0
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 31 35  1  6  0  0  0
M  END
>  <Mol_ID> (501)
6053

>  <Formula> (501)
C30H48O

>  <MolWeight> (501)
424.70152

>  <Cat> (501)
E0020

>  <Name> (501)
Lupenone

>  <Synonyms> (501)
Lup-20(29)-en-3-one, lupeone

>  <Target> (501)
Akt,Apoptosis related,Immunology & Inflammation related,PI3K

>  <Form> (501)
Free Base

>  <CAS> (501)
1617-70-5

>  <URL> (501)
http://www.selleckchem.com/products/lupenone.html

$$$$

csChFnd80/02262515262D

 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> (502)
6078

>  <Formula> (502)
C20H13N3O2

>  <MolWeight> (502)
327.33612

>  <Cat> (502)
S0754

>  <Name> (502)
Bisindolylmaleimide IV

>  <Synonyms> (502)
Arcyriarubin A, BIM IV, Compound 5/1a

>  <Target> (502)
CMV,PKA,PKC

>  <Form> (502)
Free Base

>  <CAS> (502)
119139-23-0

>  <URL> (502)
http://www.selleckchem.com/products/bisindolylmaleimide-iv.html

$$$$

csChFnd80/02262515262D

 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> (503)
6091

>  <Formula> (503)
C20H22N4O2

>  <MolWeight> (503)
350.41428

>  <Cat> (503)
S1976

>  <Name> (503)
LCH-7749944

>  <Synonyms> (503)
GNF-PF-2356

>  <Target> (503)
PAK

>  <Form> (503)
Free Base

>  <CAS> (503)
796888-12-5

>  <URL> (503)
http://www.selleckchem.com/products/lch-7749944.html

$$$$

csChFnd80/02262515262D

 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
    2.5200    7.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (504)
6114

>  <Formula> (504)
C21H19ClN2O4

>  <MolWeight> (504)
398.83956

>  <Cat> (504)
S6193

>  <Name> (504)
YUM70

>  <Synonyms> (504)
N/A

>  <Target> (504)
HSP (HSP90)

>  <Form> (504)
Free Base

>  <CAS> (504)
423145-35-1

>  <URL> (504)
http://www.selleckchem.com/products/yum70.html

$$$$

csChFnd80/02262515262D

 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
    4.5269    5.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2269    8.7154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.8269    8.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8828    5.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5269    2.8484    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> (505)
6115

>  <Formula> (505)
C16H23Cl2N3O2S

>  <MolWeight> (505)
392.34372

>  <Cat> (505)
S6214

>  <Name> (505)
H-1152 dihydrochloride

>  <Synonyms> (505)
H-1152 2HCl

>  <Target> (505)
Aurora Kinase,CaMK,PKA,PKC,PKG,ROCK

>  <Form> (505)
Dihydrochloride

>  <CAS> (505)
871543-07-6

>  <URL> (505)
http://www.selleckchem.com/products/h-1152-dihydrochloride.html

$$$$

csChFnd80/02262515262D

 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
    6.1287    4.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7981    7.9149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4919    8.6642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6899    7.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    5.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8502    5.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3115    3.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042    6.6170    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0593    7.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  7  2  0  0  0  0
  3 19  1  0  0  0  0
  4 15  1  0  0  0  0
  4 19  2  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 23  2  0  0  0  0
 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> (506)
6121

>  <Formula> (506)
C20H21N5

>  <MolWeight> (506)
331.41424

>  <Cat> (506)
S6383

>  <Name> (506)
1-NM-PP1

>  <Synonyms> (506)
PP1 Analog II, 1NM-PP1

>  <Target> (506)
Bcr-Abl,CaMK,CDK,Src

>  <Form> (506)
Free Base

>  <CAS> (506)
221244-14-0

>  <URL> (506)
http://www.selleckchem.com/products/1-nm-pp1.html

$$$$

csChFnd80/02262515262D

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  2  1  1  0  0  0  0
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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
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  5  3  1  0  0  0  0
 18  3  2  0  0  0  0
  4  6  1  0  0  0  0
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 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
  9 13  1  1  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
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 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
 38 32  1  0  0  0  0
 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
 42 41  1  0  0  0  0
M  END
>  <Mol_ID> (507)
6122

>  <Formula> (507)
C27H40N8O7

>  <MolWeight> (507)
588.6559

>  <Cat> (507)
S6387

>  <Name> (507)
Cilengitide

>  <Synonyms> (507)
EMD 121974, EMD-12192, EMD-85189, NSC-?707544

>  <Target> (507)
Integrin

>  <Form> (507)
Free Base

>  <CAS> (507)
188968-51-6

>  <URL> (507)
http://www.selleckchem.com/products/cilengitide.html

$$$$

csChFnd80/02262515262D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    0.0010    2.4218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9995    2.4246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2018    2.4246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
 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
  8 10  1  0  0  0  0
  8 12  1  1  0  0  0
 11 13  1  0  0  0  0
 14 15  2  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (508)
6124

>  <Formula> (508)
C14H21N3O

>  <MolWeight> (508)
247.33604

>  <Cat> (508)
S6390

>  <Name> (508)
Y-27632

>  <Synonyms> (508)
N/A

>  <Target> (508)
ROCK

>  <Form> (508)
Free Base

>  <CAS> (508)
146986-50-7

>  <URL> (508)
https://www.selleckchem.com/products/y-27632-rock.html

$$$$

csChFnd80/02262515262D

 27 30  0  0  0  0  0  0  0  0999 V2000
   13.4351    2.3506    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.6073    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 23  1  0  0  0  0
  3 12  2  0  0  0  0
  4 21  1  0  0  0  0
  4 27  1  0  0  0  0
  5 18  2  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  2  0  0  0  0
 13 16  1  0  0  0  0
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 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 23  1  0  0  0  0
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 21 25  2  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (509)
6137

>  <Formula> (509)
C20H11Cl2NO4

>  <MolWeight> (509)
400.21164

>  <Cat> (509)
S6953

>  <Name> (509)
GW406108X

>  <Synonyms> (509)
GW108X

>  <Target> (509)
Kinesin

>  <Form> (509)
Free Base

>  <CAS> (509)
1644443-92-4

>  <URL> (509)
http://www.selleckchem.com/products/gw406108x.html

$$$$

csChFnd80/02262515262D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1 19  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  2  0  0  0  0
  4 12  1  0  0  0  0
  4 22  1  0  0  0  0
  5 18  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (510)
6138

>  <Formula> (510)
C17H16BrNO3S

>  <MolWeight> (510)
394.28284

>  <Cat> (510)
S6954

>  <Name> (510)
CK-869

>  <Synonyms> (510)
CK 0157869

>  <Target> (510)
Microtubule Associated

>  <Form> (510)
Free Base

>  <CAS> (510)
388592-44-7

>  <URL> (510)
http://www.selleckchem.com/products/ck-869.html

$$$$

csChFnd80/02262515262D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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  7 13  1  0  0  0  0
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 18 19  1  0  0  0  0
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  2  6  1  1  0  0  0
M  END
>  <Mol_ID> (511)
6150

>  <Formula> (511)
C18H19F2N5O4

>  <MolWeight> (511)
407.3713664

>  <Cat> (511)
S8668

>  <Name> (511)
Inavolisib (GDC-0077)

>  <Synonyms> (511)
RG6114, RO-7113755

>  <Target> (511)
PI3K

>  <Form> (511)
Free Base

>  <CAS> (511)
2060571-02-8

>  <URL> (511)
http://www.selleckchem.com/products/gdc-0077.html

$$$$

csChFnd80/02262515262D

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 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (512)
6153

>  <Formula> (512)
C20H22N4

>  <MolWeight> (512)
318.41548

>  <Cat> (512)
S9828

>  <Name> (512)
WAY-262611

>  <Synonyms> (512)
BML-WN110

>  <Target> (512)
Wnt/beta-catenin

>  <Form> (512)
Free Base

>  <CAS> (512)
1123231-07-1

>  <URL> (512)
http://www.selleckchem.com/products/way-262611.html

$$$$

csChFnd80/02262515262D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (513)
6161

>  <Formula> (513)
C24H24F3NO2

>  <MolWeight> (513)
415.4480696

>  <Cat> (513)
S9860

>  <Name> (513)
BC1618

>  <Synonyms> (513)
N/A

>  <Target> (513)
AMPK,Autophagy

>  <Form> (513)
Free Base

>  <CAS> (513)
2222094-18-8

>  <URL> (513)
http://www.selleckchem.com/products/bc1618.html

$$$$

csChFnd80/02262515262D

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M  END
>  <Mol_ID> (514)
6171

>  <Formula> (514)
C100H179N45O25

>  <MolWeight> (514)
2411.77776

>  <Cat> (514)
S9887

>  <Name> (514)
P110

>  <Synonyms> (514)
N/A

>  <Target> (514)
Dynamin

>  <Form> (514)
Free Base

>  <CAS> (514)
Unknown

>  <URL> (514)
http://www.selleckchem.com/products/p110.html

$$$$

csChFnd80/02262515262D

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 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> (515)
6177

>  <Formula> (515)
C16H20F3N5O4S

>  <MolWeight> (515)
435.4213096

>  <Cat> (515)
S9948

>  <Name> (515)
Danicamtiv (MYK-491)

>  <Synonyms> (515)
SAR 440181

>  <Target> (515)
Cardiac Myosin

>  <Form> (515)
Free Base

>  <CAS> (515)
1970972-74-7

>  <URL> (515)
http://www.selleckchem.com/products/danicamtiv-myk-491.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/02262515262D

 36 37  0  0  0  0  0  0  0  0999 V2000
    3.6289   11.8854    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
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.7854    0.0000 O   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
    4.8413    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3854    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2620    9.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (516)
7410

>  <Formula> (516)
C23H14Na2O11

>  <MolWeight> (516)
512.3302

>  <Cat> (516)
S1911

>  <Name> (516)
Disodium Cromoglycate

>  <Synonyms> (516)
Gynazole ,FPL 670 (Cromolyn) Disodium,Cromolyn sodium

>  <Target> (516)
Calcium Channel

>  <Form> (516)
Disodium Salt

>  <CAS> (516)
15826-37-6

>  <URL> (516)
http://selleckchem.com/products/disodium-Cromoglycate.html

$$$$
Flubendazole.cdx
csChFnd80/02262515262D

 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
  2  4  1  0  0  0  0
  1  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  1  1  0  0  0  0
  4 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  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
 17 19  1  0  0  0  0
 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> (517)
7412

>  <Formula> (517)
C16H12FN3O3

>  <MolWeight> (517)
313.2831832

>  <Cat> (517)
S1837

>  <Name> (517)
Flubendazole

>  <Synonyms> (517)
Flumoxanal, NSC 313680

>  <Target> (517)
Autophagy,Parasite

>  <Form> (517)
free base

>  <CAS> (517)
31430-15-6

>  <URL> (517)
http://selleckchem.com/products/flubendazole-flutelmium.html

$$$$
CCT137690.cdx
csChFnd80/02262515262D

 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
    4.6364    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2115    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2115    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8859    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2859    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9859    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2859    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8859    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  7  8  1  0  0  0  0
  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> (518)
7417

>  <Formula> (518)
C26H31BrN8O

>  <MolWeight> (518)
551.48134

>  <Cat> (518)
S2744

>  <Name> (518)
CCT137690

>  <Synonyms> (518)
N/A

>  <Target> (518)
Aurora Kinase

>  <Form> (518)
Free Base

>  <CAS> (518)
1095382-05-0

>  <URL> (518)
http://selleckchem.com/products/cct137690.html

$$$$
Nefopam HCl.cdx
csChFnd80/02262515262D

 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
    3.7332    7.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1974    8.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (519)
7420

>  <Formula> (519)
C17H20ClNO

>  <MolWeight> (519)
289.7998

>  <Cat> (519)
S4180

>  <Name> (519)
Nefopam HCl

>  <Synonyms> (519)
Fenazoxine hydrochloride

>  <Target> (519)
Sodium Channel

>  <Form> (519)
Hydrochloride

>  <CAS> (519)
23327-57-3

>  <URL> (519)
http://selleckchem.com/products/nefopam-hcl.html

$$$$
S3753 L-Leucine.cdx
csChFnd80/02262515262D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.6380    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4243    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (520)
7439

>  <Formula> (520)
C6H13NO2

>  <MolWeight> (520)
131.17292

>  <Cat> (520)
S3753

>  <Name> (520)
L-Leucine

>  <Synonyms> (520)
(S)-Leucine, Leu

>  <Target> (520)
mTOR

>  <Form> (520)
free base

>  <CAS> (520)
61-90-5

>  <URL> (520)
http://selleckchem.com/products/l-leucine.html

$$$$

csChFnd80/02262515262D

 29 28  0  0  0  0  0  0  0  0999 V2000
    3.3123    3.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0146    4.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3147    5.9921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.3509    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.1219    3.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0146    7.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1194    1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 15  2  0  0  0  0
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 20 23  1  0  0  0  0
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 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (521)
7452

>  <Formula> (521)
C18H19Na2O8P

>  <MolWeight> (521)
440.291961

>  <Cat> (521)
S7204

>  <Name> (521)
Fosbretabulin (Combretastatin A4 Phosphate (CA4P)) Disodium

>  <Synonyms> (521)
CA 4DP

>  <Target> (521)
Apoptosis related,Microtubule Associated

>  <Form> (521)
Disodium salt

>  <CAS> (521)
168555-66-6

>  <URL> (521)
http://selleckchem.com/products/fosbretabulin-disodium-combretastatin-a-4-phosphate-disodium-ca4p-disodium.html

$$$$
XL388.cdx
csChFnd80/02262515262D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.9705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    0.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3608    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3331    1.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7257    2.8342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3608    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5955    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0858    5.2237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9751    3.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4866    2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8709    2.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7438    3.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2323    4.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8480    4.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3383    6.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1022    5.6937    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.1234    3.0918    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.0554    4.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4234    1.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8234    1.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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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  2  0  0  0  0
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 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
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 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
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (522)
7453

>  <Formula> (522)
C23H22FN3O4S

>  <MolWeight> (522)
455.5018832

>  <Cat> (522)
S7035

>  <Name> (522)
XL388

>  <Synonyms> (522)
N/A

>  <Target> (522)
mTOR

>  <Form> (522)
free base

>  <CAS> (522)
1251156-08-7

>  <URL> (522)
http://selleckchem.com/products/xl388.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/02262515262D

 32 34  0  0  0  0  0  0  0  0999 V2000
   10.2024    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2024    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4149    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6273    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6273    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4149    8.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9900    8.6271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7776    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3527    7.9271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1402    8.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8397    4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0522    3.7271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2646    4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2646    5.8271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0522    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5961    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4190    5.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5961    6.2597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0287    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0919    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5245    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8940    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8307    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3981    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   22.4912    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   22.4912    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
  4 16  1  0  0  0  0
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 19 20  1  0  0  0  0
 21 16  2  0  0  0  0
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 22 25  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (523)
7454

>  <Formula> (523)
C24H27Cl2N5O

>  <MolWeight> (523)
472.41008

>  <Cat> (523)
S7306

>  <Name> (523)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (523)
BML-275 2HCl,Compound C 2HCl

>  <Target> (523)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (523)
Dihydrochloride

>  <CAS> (523)
1219168-18-9

>  <URL> (523)
http://selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
IWP-2.cdx
csChFnd80/02262515262D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.1000    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
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    8.2166    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (524)
7466

>  <Formula> (524)
C22H18N4O2S3

>  <MolWeight> (524)
466.59892

>  <Cat> (524)
S7085

>  <Name> (524)
IWP-2

>  <Synonyms> (524)
N/A

>  <Target> (524)
Casein Kinase,Wnt/beta-catenin

>  <Form> (524)
Free Base

>  <CAS> (524)
686770-61-6

>  <URL> (524)
http://selleckchem.com/products/iwp-2.html

$$$$
Defactinib.cdx
csChFnd80/02262515262D

 35 37  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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 N   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
    4.8497    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    0.0000 N   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
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
 31 35  2  0  0  0  0
M  END
>  <Mol_ID> (525)
7478

>  <Formula> (525)
C20H21F3N8O3S

>  <MolWeight> (525)
510.4927496

>  <Cat> (525)
S7654

>  <Name> (525)
Defactinib (VS-6063)

>  <Synonyms> (525)
PF-04554878

>  <Target> (525)
FAK

>  <Form> (525)
free base

>  <CAS> (525)
1073154-85-4

>  <URL> (525)
http://selleckchem.com/products/defactinib.html

$$$$
Dorsomorphin.cdx
csChFnd80/02262515262D

 30 34  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   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
    1.2124    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4688    6.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1626    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  8  9  1  0  0  0  0
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 29 30  2  0  0  0  0
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M  END
>  <Mol_ID> (526)
7486

>  <Formula> (526)
C24H25N5O

>  <MolWeight> (526)
399.4882

>  <Cat> (526)
S7840

>  <Name> (526)
Dorsomorphin (Compound C)

>  <Synonyms> (526)
BML-275,Compound C

>  <Target> (526)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (526)
Free Base

>  <CAS> (526)
866405-64-3

>  <URL> (526)
http://selleckchem.com/products/dorsomorphin.html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/02262515262D

 30 35  0  0  0  0  0  0  0  0999 V2000
    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1218    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
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 10  5  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (527)
8088

>  <Formula> (527)
C25H19NO3S

>  <MolWeight> (527)
413.48826

>  <Cat> (527)
S2638

>  <Name> (527)
NU7441 (KU-57788)

>  <Synonyms> (527)
N/A

>  <Target> (527)
CRISPR/Cas9,DNA-PK,mTOR,PI3K

>  <Form> (527)
free base

>  <CAS> (527)
503468-95-9

>  <URL> (527)
http://selleckchem.com/products/nu7441.html

$$$$
INCB28060.cdx
csChFnd80/02262515262D

 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
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M  END
>  <Mol_ID> (528)
8100

>  <Formula> (528)
C23H17FN6O

>  <MolWeight> (528)
412.4190832

>  <Cat> (528)
S2788

>  <Name> (528)
Capmatinib (INCB28060)

>  <Synonyms> (528)
INC280, NVP-INC280

>  <Target> (528)
Apoptosis related,c-Met,Wnt/beta-catenin

>  <Form> (528)
Free Base

>  <CAS> (528)
1029712-80-8

>  <URL> (528)
http://selleckchem.com/products/incb28060.html

$$$$
Torin 1.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (529)
8104

>  <Formula> (529)
C35H28F3N5O2

>  <MolWeight> (529)
607.6243296

>  <Cat> (529)
S2827

>  <Name> (529)
Torin 1

>  <Synonyms> (529)
N/A

>  <Target> (529)
Autophagy,mTOR

>  <Form> (529)
Free Base

>  <CAS> (529)
1222998-36-8

>  <URL> (529)
http://selleckchem.com/products/torin-1.html

$$$$
TG 100713.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (530)
8109

>  <Formula> (530)
C12H10N6O

>  <MolWeight> (530)
254.2474

>  <Cat> (530)
S2870

>  <Name> (530)
TG100713

>  <Synonyms> (530)
N/A

>  <Target> (530)
PI3K

>  <Form> (530)
Free Base

>  <CAS> (530)
925705-73-3

>  <URL> (530)
http://selleckchem.com/products/tg-100713.html

$$$$
untitled.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (531)
8126

>  <Formula> (531)
C21H46NO4P

>  <MolWeight> (531)
407.568001

>  <Cat> (531)
S3056

>  <Name> (531)
Miltefosine

>  <Synonyms> (531)
Hexadecylphosphocholine

>  <Target> (531)
Akt

>  <Form> (531)
free base

>  <CAS> (531)
58066-85-6

>  <URL> (531)
http://selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (532)
8130

>  <Formula> (532)
C17H15NO3

>  <MolWeight> (532)
281.3059

>  <Cat> (532)
S2893

>  <Name> (532)
NU7026

>  <Synonyms> (532)
LY293646

>  <Target> (532)
Apoptosis related,DNA-PK,PI3K

>  <Form> (532)
Free Base

>  <CAS> (532)
154447-35-5

>  <URL> (532)
http://selleckchem.com/products/nu7026.html

$$$$
RGD peptide.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (533)
8143

>  <Formula> (533)
C12H22N6O6

>  <MolWeight> (533)
346.33968

>  <Cat> (533)
S8008

>  <Name> (533)
RGD (Arg-Gly-Asp) Peptides

>  <Synonyms> (533)
N/A

>  <Target> (533)
Integrin

>  <Form> (533)
free base

>  <CAS> (533)
99896-85-2

>  <URL> (533)
http://selleckchem.com/products/rgd-arg-gly-asp-peptides.html

$$$$
untitled.cdx
csChFnd80/02262515262D

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>  <Mol_ID> (534)
8156

>  <Formula> (534)
C21H16N6O2S2

>  <MolWeight> (534)
448.52074

>  <Cat> (534)
S1118

>  <Name> (534)
XL147 analogue

>  <Synonyms> (534)
SAR245408

>  <Target> (534)
Apoptosis related,PI3K

>  <Form> (534)
Free Base

>  <CAS> (534)
956958-53-5

>  <URL> (534)
http://selleckchem.com/products/XL147.html

$$$$
bms-707035.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (535)
8166

>  <Formula> (535)
C18H11N3O2S

>  <MolWeight> (535)
333.36384

>  <Cat> (535)
S1360

>  <Name> (535)
GSK1059615

>  <Synonyms> (535)
N/A

>  <Target> (535)
mTOR,PI3K

>  <Form> (535)
Free Base

>  <CAS> (535)
958852-01-2

>  <URL> (535)
http://selleckchem.com/products/GSK1059615.html

$$$$
CCT129202.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (536)
8172

>  <Formula> (536)
C23H25ClN8OS

>  <MolWeight> (536)
497.0156

>  <Cat> (536)
S1519

>  <Name> (536)
CCT129202

>  <Synonyms> (536)
N/A

>  <Target> (536)
Aurora Kinase

>  <Form> (536)
Free Base

>  <CAS> (536)
942947-93-5

>  <URL> (536)
http://selleckchem.com/products/CCT129202.html

$$$$
ATN-161.cdx
csChFnd80/02262515262D

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   17.9766    2.3834    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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  4  5  1  0  0  0  0
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  4  6  1  0  0  0  0
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  3  8  1  6  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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 24 15  2  0  0  0  0
 18 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 18 28  2  0  0  0  0
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 29 30  1  0  0  0  0
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 31 33  1  0  0  0  0
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 35 36  1  0  0  0  0
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M  END
>  <Mol_ID> (537)
8232

>  <Formula> (537)
C23H35N9O8S

>  <MolWeight> (537)
597.6445

>  <Cat> (537)
S8454

>  <Name> (537)
ATN-161 (Ac-PHSCN-NH2)

>  <Synonyms> (537)
N/A

>  <Target> (537)
Integrin

>  <Form> (537)
free base

>  <CAS> (537)
262438-43-7

>  <URL> (537)
http://selleckchem.com/products/atn-161.html

$$$$
S9054 Pectolinarin.cdx
csChFnd80/02262515262D

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M  END
>  <Mol_ID> (538)
8347

>  <Formula> (538)
C29H34O15

>  <MolWeight> (538)
622.57126

>  <Cat> (538)
S9054

>  <Name> (538)
Pectolinarin

>  <Synonyms> (538)
7-[[6-O-(6-Deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5-hydroxy-6-methoxy-1-(4-methoxyphenyl)-4H-1-benzopyran-4-one

>  <Target> (538)
Akt,Apoptosis related,Immunology & Inflammation related,Interleukins,PGES,PI3K

>  <Form> (538)
free base

>  <CAS> (538)
28978-02-1

>  <URL> (538)
https://www.selleckchem.com/products/pectolinarin.html

$$$$

csChFnd80/02262515262D

 38 39  0  0  0  0  0  0  0  0999 V2000
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   10.9025    6.2668    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1072    4.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8158    8.0919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9025    7.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (539)
9679

>  <Formula> (539)
C23H30Cl2NNa2O6P

>  <MolWeight> (539)
564.346701

>  <Cat> (539)
S2441

>  <Name> (539)
Estramustine phosphate sodium

>  <Synonyms> (539)
EMP, Emcyt, Estracyt

>  <Target> (539)
Microtubule Associated

>  <Form> (539)
phosphate sodium

>  <CAS> (539)
52205-73-9

>  <URL> (539)
http://www.selleck.cn/products/estramustine-phosphate-sodium.html

$$$$

csChFnd80/02262515262D

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 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (540)
9690

>  <Formula> (540)
C21H32O2

>  <MolWeight> (540)
316.47758

>  <Cat> (540)
S3206

>  <Name> (540)
5a-Pregnane-3,20-dione

>  <Synonyms> (540)
5alphaP, 5-a-dihydroprogesterone, 3,20-allopregnanedione, 5-Alpha-Dihydro Progesterone

>  <Target> (540)
Actin,Microtubule Associated

>  <Form> (540)
free base

>  <CAS> (540)
566-65-4

>  <URL> (540)
http://www.selleckchem.com/products/5a-pregnane-320-dione.html

$$$$

csChFnd80/02262515262D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166   10.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0084    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291   12.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (541)
9691

>  <Formula> (541)
C19H18NO4+

>  <MolWeight> (541)
324.35052

>  <Cat> (541)
S3299

>  <Name> (541)
Demethyleneberberine

>  <Synonyms> (541)
DMB

>  <Target> (541)
AMPK,Interleukins,NF-¦ÊB,Peroxidases,TNF-alpha

>  <Form> (541)
free base

>  <CAS> (541)
25459-91-0

>  <URL> (541)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/02262515262D

 43 43  0  0  0  0  0  0  0  0999 V2000
    6.0623    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3544    9.7271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6049    7.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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
   10.9120    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9823    9.2229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5497   10.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497   10.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171    9.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3139    8.7903    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
    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  2  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  1  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
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    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
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
 12 29  1  0  0  0  0
 30 13  1  1  0  0  0
 13 35  1  0  0  0  0
 14 31  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 33 16  1  6  0  0  0
 16 41  1  0  0  0  0
 17 40  1  0  0  0  0
 17 43  2  0  0  0  0
 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> (542)
9742

>  <Formula> (542)
C23H38N10O10

>  <MolWeight> (542)
614.60882

>  <Cat> (542)
S4513

>  <Name> (542)
RGD peptide (GRGDNP)

>  <Synonyms> (542)
N/A

>  <Target> (542)
Apoptosis related,Caspase,Integrin

>  <Form> (542)
Free Base

>  <CAS> (542)
114681-65-1

>  <URL> (542)
http://www.selleckchem.com/products/rgd-peptide-grgdnp-.html

$$$$
