untitled.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1)
1

>  <Formula> (1)
C21H18FN5O

>  <MolWeight> (1)
375.3989232

>  <Cat> (1)
S1003

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

>  <Synonyms> (1)
AL-39324

>  <Target> (1)
PDGFR, VEGFR

>  <Form> (1)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (2)
2

>  <Formula> (2)
C22H18N4OS

>  <MolWeight> (2)
386.46952

>  <Cat> (2)
S1005

>  <Name> (2)
Axitinib

>  <Synonyms> (2)
AG 013736

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

>  <Form> (2)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (3)
3

>  <Formula> (3)
C27H32ClN5O5

>  <MolWeight> (3)
542.02648

>  <Cat> (3)
S1006

>  <Name> (3)
Saracatinib (AZD0530)

>  <Synonyms> (3)
N/A 

>  <Target> (3)
Src, Bcr-Abl

>  <Form> (3)
Free Base

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

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

$$$$
azd6244.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (4)
4

>  <Formula> (4)
C17H15BrClFN4O3

>  <MolWeight> (4)
457.6814032

>  <Cat> (4)
S1008

>  <Name> (4)
AZD6244 (Selumetinib)

>  <Synonyms> (4)
ARRY-142886 

>  <Target> (4)
MEK

>  <Form> (4)
Free Base

>  <CAS> (4)
606143-52-6

>  <URL> (4)
http://www.selleckchem.com/products/AZD6244.html

$$$$
untitled.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
C31H33N5O4

>  <MolWeight> (5)
539.62482

>  <Cat> (5)
S1010

>  <Name> (5)
Nintedanib (BIBF 1120)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
VEGFR, PDGFR, FGFR

>  <Form> (5)
Free Base

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

>  <URL> (5)
http://www.selleckchem.com/products/BIBF1120.html

$$$$
untitled.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C19H25BN4O4

>  <MolWeight> (6)
384.2372

>  <Cat> (6)
S1013

>  <Name> (6)
Bortezomib (Velcade)

>  <Synonyms> (6)
MG-341, PS-341

>  <Target> (6)
Proteasome

>  <Form> (6)
Free Base

>  <CAS> (6)
179324-69-7

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

$$$$
Bosutinib (SKI-606).cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C26H29Cl2N5O3

>  <MolWeight> (7)
530.44616

>  <Cat> (7)
S1014

>  <Name> (7)
Bosutinib (SKI-606)

>  <Synonyms> (7)
N/A 

>  <Target> (7)
Src

>  <Form> (7)
Free Base

>  <CAS> (7)
380843-75-4

>  <URL> (7)
http://www.selleckchem.com/products/Bosutinib.html

$$$$
untitled.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (8)
8

>  <Formula> (8)
C25H27FN4O3

>  <MolWeight> (8)
450.5052832

>  <Cat> (8)
S1017

>  <Name> (8)
Cediranib (AZD2171)

>  <Synonyms> (8)
Recentin 

>  <Target> (8)
VEGFR, Flt

>  <Form> (8)
Free Base

>  <CAS> (8)
288383-20-0

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

$$$$
CI1040.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (9)
9

>  <Formula> (9)
C17H14ClF2IN2O2

>  <MolWeight> (9)
478.6595364

>  <Cat> (9)
S1020

>  <Name> (9)
CI-1040 (PD184352)

>  <Synonyms> (9)
N/A 

>  <Target> (9)
MEK 

>  <Form> (9)
Free Base

>  <CAS> (9)
212631-79-3

>  <URL> (9)
http://www.selleckchem.com/products/CI-1040-(PD184352).html

$$$$
Dasatinib.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (10)
10

>  <Formula> (10)
C22H26ClN7O2S

>  <MolWeight> (10)
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>  <Cat> (10)
S1021

>  <Name> (10)
Dasatinib

>  <Synonyms> (10)
BMS-354825

>  <Target> (10)
Src, Bcr-Abl, c-Kit

>  <Form> (10)
Free Base

>  <CAS> (10)
302962-49-8

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

$$$$
untitled.cdx
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>  <Mol_ID> (11)
11

>  <Formula> (11)
C53H84NO14P

>  <MolWeight> (11)
990.206121

>  <Cat> (11)
S1022

>  <Name> (11)
Deforolimus (MK-8669) 

>  <Synonyms> (11)
AP23573, MK-8669

>  <Target> (11)
mTOR

>  <Form> (11)
Free Base

>  <CAS> (11)
572924-54-0

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

$$$$

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C21H21FN6O

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Dovitinib (TKI-258, CHIR-258)

>  <Synonyms> (12)
N/A

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

>  <Form> (12)
Free base

>  <CAS> (12)
405169-16-6

>  <URL> (12)
http://www.selleckchem.com/products/CHIR-258.html

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untitled.cdx
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>  <Mol_ID> (13)
13

>  <Formula> (13)
C22H24ClFN4O3

>  <MolWeight> (13)
446.9023632

>  <Cat> (13)
S1025

>  <Name> (13)
Gefitinib (ZD1839)

>  <Synonyms> (13)
N/A

>  <Target> (13)
EGFR

>  <Form> (13)
Free Base

>  <CAS> (13)
184475-35-2

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

$$$$
Imatinib Mesylate.cdx
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>  <Mol_ID> (14)
14

>  <Formula> (14)
C30H35N7O4S

>  <MolWeight> (14)
589.7084

>  <Cat> (14)
S1026

>  <Name> (14)
Imatinib Mesylate (STI571)

>  <Synonyms> (14)
CGP-57148B, ST-1571 Mesylate

>  <Target> (14)
PDGFR, c-Kit, Bcr-Abl

>  <Form> (14)
Mesylate

>  <CAS> (14)
220127-57-1

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

$$$$
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M  END
>  <Mol_ID> (15)
15

>  <Formula> (15)
C43H42ClFN4O10S3

>  <MolWeight> (15)
925.4607832

>  <Cat> (15)
S1028

>  <Name> (15)
Lapatinib (GW-572016) Ditosylate

>  <Synonyms> (15)
GW-57201

>  <Target> (15)
EGFR, HER2

>  <Form> (15)
Ditosylat

>  <CAS> (15)
388082-77-7

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

$$$$
untitled.cdx
csChFnd80/01132110042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (16)
16

>  <Formula> (16)
C13H13N3O3

>  <MolWeight> (16)
259.26062

>  <Cat> (16)
S1029

>  <Name> (16)
Lenalidomide (CC-5013)

>  <Synonyms> (16)
CC-5013

>  <Target> (16)
TNF-alpha

>  <Form> (16)
Free Base

>  <CAS> (16)
191732-72-6

>  <URL> (16)
http://www.selleckchem.com/products/Lenalidomide.html

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/01132110042D

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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C22H29N5O9P2

>  <MolWeight> (17)
569.441282

>  <Cat> (17)
S1032

>  <Name> (17)
Motesanib Diphosphate (AMG-706)

>  <Synonyms> (17)
AMG-706

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

>  <Form> (17)
Diphosphate

>  <CAS> (17)
857876-30-3

>  <URL> (17)
http://www.selleckchem.com/products/Motesanib-Diphosphate.html

$$$$
untitled.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C28H22F3N7O

>  <MolWeight> (18)
529.5157896

>  <Cat> (18)
S1033

>  <Name> (18)
Nilotinib (AMN-107)

>  <Synonyms> (18)
Tasigna 

>  <Target> (18)
Bcr-Abl

>  <Form> (18)
Free Base

>  <CAS> (18)
641571-10-0

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

$$$$
untitled.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C21H24ClN7O2S

>  <MolWeight> (19)
473.97896

>  <Cat> (19)
S1035

>  <Name> (19)
Pazopanib HCl

>  <Synonyms> (19)
GW786034

>  <Target> (19)
VEGFR, PDGFR, c-Kit

>  <Form> (19)
Hydrochloride

>  <CAS> (19)
635702-64-6

>  <URL> (19)
http://www.selleckchem.com/products/Pazopanib-Hydrochloride.html

$$$$
untitled.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C16H14F3IN2O4

>  <MolWeight> (20)
482.1930396

>  <Cat> (20)
S1036

>  <Name> (20)
PD0325901

>  <Synonyms> (20)
N/A

>  <Target> (20)
MEK 

>  <Form> (20)
Free Base

>  <CAS> (20)
391210-10-9

>  <URL> (20)
http://www.selleckchem.com/products/PD-0325901.html

$$$$
1.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C19H16N4O3

>  <MolWeight> (21)
348.35534

>  <Cat> (21)
S1038

>  <Name> (21)
PI-103

>  <Synonyms> (21)
N/A

>  <Target> (21)
DNA-PK, PI3K, mTOR

>  <Form> (21)
Free Base

>  <CAS> (21)
371935-74-9

>  <URL> (21)
http://www.selleckchem.com/products/PI-103.html

$$$$
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csChFnd80/01132110042D

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M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C51H79NO13

>  <MolWeight> (22)
914.17186

>  <Cat> (22)
S1039

>  <Name> (22)
Rapamycin (Sirolimus)

>  <Synonyms> (22)
N/A 

>  <Target> (22)
mTOR 

>  <Form> (22)
Free Base

>  <CAS> (22)
53123-88-9

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

$$$$

csChFnd80/01132110042D

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 33 34  2  0  0  0  0
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M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C28H24ClF3N4O6S

>  <MolWeight> (23)
637.0265696

>  <Cat> (23)
S1040

>  <Name> (23)
Sorafenib Tosylate

>  <Synonyms> (23)
Bay 43-9006 

>  <Target> (23)
VEGFR, PDGFR, Raf

>  <Form> (23)
Tosylate

>  <CAS> (23)
475207-59-1

>  <URL> (23)
http://www.selleckchem.com/products/Sorafenib-Tosylate.html

$$$$

csChFnd80/01132110042D

 38 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C26H33FN4O7

>  <MolWeight> (24)
532.5612232

>  <Cat> (24)
S1042

>  <Name> (24)
Sunitinib Malate

>  <Synonyms> (24)
N/A

>  <Target> (24)
VEGFR, PDGFR, c-Kit, Flt

>  <Form> (24)
Malate

>  <CAS> (24)
341031-54-7

>  <URL> (24)
http://www.selleckchem.com/products/Sunitinib-Malate-(Sutent).html

$$$$
untitled.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (25)
25

>  <Formula> (25)
C23H28N8OS

>  <MolWeight> (25)
464.58642

>  <Cat> (25)
S1048

>  <Name> (25)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (25)
N/A 

>  <Target> (25)
Aurora Kinase

>  <Form> (25)
Free Base

>  <CAS> (25)
639089-54-6

>  <URL> (25)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C14H23Cl2N3O

>  <MolWeight> (26)
320.25792

>  <Cat> (26)
S1049

>  <Name> (26)
Y-27632 2HCl

>  <Synonyms> (26)
N/A

>  <Target> (26)
ROCK

>  <Form> (26)
Dihydrochloride

>  <CAS> (26)
129830-38-2

>  <URL> (26)
http://www.selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C32H29N5O2

>  <MolWeight> (27)
515.60496

>  <Cat> (27)
S1055

>  <Name> (27)
Enzastaurin (LY317615)

>  <Synonyms> (27)
N/A 

>  <Target> (27)
PKC 

>  <Form> (27)
Free Base

>  <CAS> (27)
170364-57-5

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

$$$$
untitled.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C28H30N6OS

>  <MolWeight> (28)
498.6424

>  <Cat> (28)
S1064

>  <Name> (28)
Masitinib (AB1010)

>  <Synonyms> (28)
N/A 

>  <Target> (28)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (28)
Free Base

>  <CAS> (28)
790299-79-5

>  <URL> (28)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

$$$$
untitled.cdx
csChFnd80/01132110042D

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301836-41-9

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http://www.selleckchem.com/products/SB-431542.html

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GSK-3 

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Free Base

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280744-09-4

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http://www.selleckchem.com/products/SB-216763.html

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p38 MAPK 

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Free Base

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152121-47-6

>  <URL> (34)
http://www.selleckchem.com/products/SB-203580.html

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C20H14FN3O

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SB202190 (FHPI)

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N/A

>  <Target> (35)
p38 MAPK 

>  <Form> (35)
Free Base

>  <CAS> (35)
152121-30-7

>  <URL> (35)
http://www.selleckchem.com/products/SB-202190.html

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>  <Target> (36)
Akt

>  <Form> (36)
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>  <CAS> (36)
1032350-13-2

>  <URL> (36)
http://www.selleckchem.com/products/MK-2206.html

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M  END
>  <Mol_ID> (37)
37

>  <Formula> (37)
C28H30ClN5O4S

>  <MolWeight> (37)
568.0869

>  <Cat> (37)
S1080

>  <Name> (37)
SU11274

>  <Synonyms> (37)
PKI-SU11274

>  <Target> (37)
c-Met 

>  <Form> (37)
Free Base

>  <CAS> (37)
658084-23-2

>  <URL> (37)
http://www.selleckchem.com/products/SU11274.html

$$$$
Brivanib.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (38)
38

>  <Formula> (38)
C19H19FN4O3

>  <MolWeight> (38)
370.3775632

>  <Cat> (38)
S1084

>  <Name> (38)
Brivanib (BMS-540215)

>  <Synonyms> (38)
N/A 

>  <Target> (38)
VEGFR, FGFR

>  <Form> (38)
Free Base

>  <CAS> (38)
649735-46-6

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

$$$$
NVP-ADW742.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C28H31N5O

>  <MolWeight> (39)
453.57864

>  <Cat> (39)
S1088

>  <Name> (39)
NVP-ADW742

>  <Synonyms> (39)
ADW742

>  <Target> (39)
IGF-1R

>  <Form> (39)
Free Base

>  <CAS> (39)
475488-23-4

>  <URL> (39)
http://www.selleckchem.com/products/NVP-ADW742.html

$$$$
untitled.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C21H17NO3S2

>  <MolWeight> (40)
395.49458

>  <Cat> (40)
S1092

>  <Name> (40)
KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (40)
N/A

>  <Target> (40)
ATM 

>  <Form> (40)
Free Base

>  <CAS> (40)
587871-26-9

>  <URL> (40)
http://www.selleckchem.com/products/KU-55933.html

$$$$
untitled.cdx
csChFnd80/01132110042D

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IGF-1R

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Free Base

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1089283-49-7

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http://www.selleckchem.com/products/GSK1904529A.html

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N/A

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c-Met 

>  <Form> (42)
Free Base

>  <CAS> (42)
956905-27-4

>  <URL> (42)
http://www.selleckchem.com/products/PF-04217903.html

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>  <Mol_ID> (43)
43

>  <Formula> (43)
C25H15ClF2N4O2

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>  <Cat> (43)
S1100

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MLN8054

>  <Synonyms> (43)
N/A

>  <Target> (43)
Aurora Kinase

>  <Form> (43)
Free Base

>  <CAS> (43)
869363-13-3

>  <URL> (43)
http://www.selleckchem.com/products/MLN8054.html

$$$$
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>  <Mol_ID> (44)
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C20H17Cl3N4

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>  <Name> (44)
Vatalanib (PTK787) 2HCl

>  <Synonyms> (44)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (44)
VEGFR, c-Kit, Flt

>  <Form> (44)
Dihydrochloride

>  <CAS> (44)
212141-51-0

>  <URL> (44)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

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154447-36-6

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>  <Mol_ID> (49)
49

>  <Formula> (49)
C20H22N6OS2

>  <MolWeight> (49)
426.55828

>  <Cat> (49)
S1102

>  <Name> (49)
U0126-EtOH

>  <Synonyms> (49)
N/A

>  <Target> (49)
MEK

>  <Form> (49)
Ethanolate

>  <CAS> (49)
1173097-76-1

>  <URL> (49)
http://www.selleckchem.com/products/U0126.html

$$$$
untitled.cdx
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>  <Mol_ID> (50)
50

>  <Formula> (50)
C26H30N6O3

>  <MolWeight> (50)
474.5548

>  <Cat> (50)
S1107

>  <Name> (50)
Danusertib (PHA-739358)

>  <Synonyms> (50)
N/A 

>  <Target> (50)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (50)
Free Base

>  <CAS> (50)
827318-97-8

>  <URL> (50)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

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

>  <Formula> (51)
C28H39N7O3

>  <MolWeight> (51)
521.65436

>  <Cat> (51)
S1109

>  <Name> (51)
BI 2536

>  <Synonyms> (51)
N/A

>  <Target> (51)
PLK

>  <Form> (51)
Free Base

>  <CAS> (51)
755038-02-9

>  <URL> (51)
http://www.selleckchem.com/products/BI-2536.html

$$$$
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c-Met, VEGFR

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849217-64-7

>  <URL> (52)
http://www.selleckchem.com/products/XL880(GSK1363089,EXEL-2880).html

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>  <Formula> (53)
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>  <MolWeight> (53)
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>  <Cat> (53)
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>  <Name> (53)
JNJ-38877605

>  <Synonyms> (53)
N/A

>  <Target> (53)
c-Met 

>  <Form> (53)
Free Base

>  <CAS> (53)
943540-75-8

>  <URL> (53)
http://www.selleckchem.com/products/JNJ-38877605.html

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csChFnd80/01132110042D

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>  <Synonyms> (54)
Certican, Zortress, Afinitor

>  <Target> (54)
mTOR

>  <Form> (54)
Free Base

>  <CAS> (54)
159351-69-6

>  <URL> (54)
http://www.selleckchem.com/products/Everolimus(RAD001).html

$$$$
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>  <Mol_ID> (55)
55

>  <Formula> (55)
C27H20ClFN4O4

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>  <Cat> (55)
S1133

>  <Name> (55)
MLN8237 (Alisertib)

>  <Synonyms> (55)
Alisertib

>  <Target> (55)
Aurora Kinase

>  <Form> (55)
Free Base

>  <CAS> (55)
1028486-01-2

>  <URL> (55)
http://www.selleckchem.com/products/MLN8237.html

$$$$
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csChFnd80/01132110042D

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>  <Mol_ID> (56)
56

>  <Formula> (56)
C28H24FN3O5

>  <MolWeight> (56)
501.5056632

>  <Cat> (56)
S1119

>  <Name> (56)
Cabozantinib (XL184, BMS-907351)

>  <Synonyms> (56)
N/A

>  <Target> (56)
VEGFR, c-Met, Flt, Tie-2, c-Kit

>  <Form> (56)
Free Base

>  <CAS> (56)
849217-68-1

>  <URL> (56)
http://www.selleckchem.com/products/XL184.html

$$$$
AT9283.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (57)
57

>  <Formula> (57)
C19H23N7O2

>  <MolWeight> (57)
381.43162

>  <Cat> (57)
S1134

>  <Name> (57)
AT9283

>  <Synonyms> (57)
N/A

>  <Target> (57)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (57)
Free Base

>  <CAS> (57)
896466-04-9

>  <URL> (57)
http://www.selleckchem.com/products/AT9283.html

$$$$
untitled.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (58)
58

>  <Formula> (58)
C31H43N3O8

>  <MolWeight> (58)
585.68842

>  <Cat> (58)
S1141

>  <Name> (58)
17-AAG (Tanespimycin)

>  <Synonyms> (58)
N/A 

>  <Target> (58)
HSP

>  <Form> (58)
Free Base

>  <CAS> (58)
75747-14-7

>  <URL> (58)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$

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M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C22H24FN5O4

>  <MolWeight> (59)
441.4554632

>  <Cat> (59)
S1138

>  <Name> (59)
Brivanib alaninate (BMS-582664)

>  <Synonyms> (59)
N/A 

>  <Target> (59)
VEGFR, FGFR

>  <Form> (59)
Alaninate

>  <CAS> (59)
649735-63-7

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

$$$$
AG-490.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (60)
60

>  <Formula> (60)
C17H14N2O3

>  <MolWeight> (60)
294.30466

>  <Cat> (60)
S1143

>  <Name> (60)
AG-490 (Tyrphostin B42)

>  <Synonyms> (60)
N/A

>  <Target> (60)
JAK, EGFR

>  <Form> (60)
Free Base

>  <CAS> (60)
133550-30-8 

>  <URL> (60)
http://www.selleckchem.com/products/AG-490.html

$$$$
untitled.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (61)
61

>  <Formula> (61)
C17H24N4O2S2

>  <MolWeight> (61)
380.52806

>  <Cat> (61)
S1145

>  <Name> (61)
SNS-032 (BMS-387032)

>  <Synonyms> (61)
BMS-387032

>  <Target> (61)
CDK 

>  <Form> (61)
Free Base

>  <CAS> (61)
345627-80-7

>  <URL> (61)
http://www.selleckchem.com/products/SNS-032.html

$$$$
untitled.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (62)
62

>  <Formula> (62)
C26H30FN7O3

>  <MolWeight> (62)
507.5599032

>  <Cat> (62)
S1147

>  <Name> (62)
Barasertib (AZD1152-HQPA)

>  <Synonyms> (62)
AZD1152 

>  <Target> (62)
Aurora Kinase

>  <Form> (62)
Free Base

>  <CAS> (62)
722544-51-6

>  <URL> (62)
http://www.selleckchem.com/products/AZD1152-HQPA.html

$$$$
untitled.cdx
csChFnd80/01132110042D

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Raf 

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Free Base

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918505-84-7

>  <URL> (63)
http://www.selleckchem.com/products/PLX-4720.html

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N/A 

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CDK 

>  <Form> (64)
Free Base

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186692-46-6 

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

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N/A

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>  <Form> (65)
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>  <CAS> (65)
537705-08-1

>  <URL> (65)
http://www.selleckchem.com/products/CP-724714.html

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663619-89-4

>  <URL> (66)
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1214265-56-1

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Aurora Kinase, VEGFR

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693228-63-6

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http://www.selleckchem.com/products/CYC116.html

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EGFR

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1213269-23-8

>  <URL> (69)
http://www.selleckchem.com/products/WZ4002.html

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167869-21-8

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M  END
>  <Mol_ID> (72)
72

>  <Formula> (72)
C24H25ClN6OS

>  <MolWeight> (72)
481.0129

>  <Cat> (72)
S1179

>  <Name> (72)
WZ8040

>  <Synonyms> (72)
N/A

>  <Target> (72)
EGFR

>  <Form> (72)
Free Base

>  <CAS> (72)
1214265-57-2

>  <URL> (72)
http://www.selleckchem.com/products/WZ8040.html

$$$$
ENMD-2076.cdx
csChFnd80/01132110042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (73)
73

>  <Formula> (73)
C21H25N7

>  <MolWeight> (73)
375.4701

>  <Cat> (73)
S1181

>  <Name> (73)
ENMD-2076

>  <Synonyms> (73)
N/A 

>  <Target> (73)
Flt, Aurora Kinase, VEGFR

>  <Form> (73)
Tartaric Acid 

>  <CAS> (73)
934353-76-1

>  <URL> (73)
http://www.selleckchem.com/products/ENMD-2076.html

$$$$
Aprepitant.cdx
csChFnd80/01132110042D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (74)
74

>  <Formula> (74)
C23H21F7N4O3

>  <MolWeight> (74)
534.4266624

>  <Cat> (74)
S1189

>  <Name> (74)
Aprepitant (MK-0869)

>  <Synonyms> (74)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (74)
Substance P

>  <Form> (74)
Free Base

>  <CAS> (74)
170729-80-3

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

$$$$
S119401 CUDC-101.cdx
csChFnd80/01132110042D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (75)
75

>  <Formula> (75)
C24H26N4O4

>  <MolWeight> (75)
434.48764

>  <Cat> (75)
S1194

>  <Name> (75)
CUDC-101

>  <Synonyms> (75)
N/A

>  <Target> (75)
HDAC, EGFR, HER2

>  <Form> (75)
Free Base

>  <CAS> (75)
1012054-59-9

>  <URL> (75)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
AV-951.cdx
csChFnd80/01132110042D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (76)
76

>  <Formula> (76)
C22H19ClN4O5

>  <MolWeight> (76)
454.86306

>  <Cat> (76)
S1207

>  <Name> (76)
Tivozanib (AV-951)

>  <Synonyms> (76)
N/A 

>  <Target> (76)
VEGFR, c-Kit, PDGFR

>  <Form> (76)
Free Base

>  <CAS> (76)
475108-18-0

>  <URL> (76)
http://www.selleckchem.com/products/AV-951.html

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (77)
77

>  <Formula> (77)
C27H30ClNO11

>  <MolWeight> (77)
579.9802

>  <Cat> (77)
S1208

>  <Name> (77)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (77)
N/A 

>  <Target> (77)
Topoisomerase

>  <Form> (77)
Hydrochloride

>  <CAS> (77)
25316-40-9

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

$$$$
OSI-930.cdx
csChFnd80/01132110042D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (78)
78

>  <Formula> (78)
C22H16F3N3O2S

>  <MolWeight> (78)
443.4415496

>  <Cat> (78)
S1220

>  <Name> (78)
OSI-930

>  <Synonyms> (78)
N/A

>  <Target> (78)
c-Kit, VEGFR

>  <Form> (78)
Free Base

>  <CAS> (78)
728033-96-3

>  <URL> (78)
http://www.selleckchem.com/products/OSI-930.html

$$$$
KU-0063794.cdx
csChFnd80/01132110042D

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mTOR 

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Free Base

>  <CAS> (79)
938440-64-3

>  <URL> (79)
http://www.selleckchem.com/products/KU-0063794.html

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N/A 

>  <Target> (80)
c-Met, c-Kit, PDGFR, Flt, c-RET

>  <Form> (80)
Free Base

>  <CAS> (80)
850879-09-3

>  <URL> (80)
http://www.selleckchem.com/products/MP-470.html

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81

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C12H9F3N2O2

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S1247

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Leflunomide

>  <Synonyms> (81)
Arava

>  <Target> (81)
Dehydrogenase

>  <Form> (81)
Free Base

>  <CAS> (81)
75706-12-6

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

$$$$
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csChFnd80/01132110042D

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82

>  <Formula> (82)
C15H12F2N6O3S

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394.3559864

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S1249

>  <Name> (82)
JNJ-7706621

>  <Synonyms> (82)
N/A 

>  <Target> (82)
CDK, Aurora Kinase

>  <Form> (82)
Free Base

>  <CAS> (82)
443797-96-4

>  <URL> (82)
http://www.selleckchem.com/products/JNJ-7706621.html

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1062169-56-5

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918504-65-1

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EGFR

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875337-44-3

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>  <Mol_ID> (89)
89

>  <Formula> (89)
C21H24NNaO8S

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>  <Name> (89)
Rigosertib (ON-01910)

>  <Synonyms> (89)
ON-01910

>  <Target> (89)
PLK

>  <Form> (89)
Sodium Salt

>  <CAS> (89)
1225497-78-8

>  <URL> (89)
http://www.selleckchem.com/products/ON-01910.html

$$$$
KI8751.cdx
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C24H18F3N3O4

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Ki8751

>  <Synonyms> (90)
N/A

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VEGFR, c-Kit, PDGFR

>  <Form> (90)
Free Base

>  <CAS> (90)
228559-41-9

>  <URL> (90)
http://www.selleckchem.com/products/Ki8751.html

$$$$
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>  <Mol_ID> (91)
91

>  <Formula> (91)
C22H19Cl3N8

>  <MolWeight> (91)
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>  <Cat> (91)
S2924

>  <Name> (91)
CHIR-99021 (CT99021) HCl

>  <Synonyms> (91)
N/A

>  <Target> (91)
PI3K/Akt/mTOR

>  <Form> (91)
Hydrochloride

>  <CAS> (91)
252917-06-9 (free base)

>  <URL> (91)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$
Pelitinib.cdx
csChFnd80/01132110042D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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  7 25  1  0  0  0  0
 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C24H23ClFN5O2

>  <MolWeight> (92)
467.9231232

>  <Cat> (92)
S1392

>  <Name> (92)
Pelitinib (EKB-569)

>  <Synonyms> (92)
WAY-EKB 569

>  <Target> (92)
EGFR

>  <Form> (92)
Free Base

>  <CAS> (92)
257933-82-7

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

$$$$
resveratrol.cdx
csChFnd80/01132110042D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C14H12O3

>  <MolWeight> (93)
228.24328

>  <Cat> (93)
S1396

>  <Name> (93)
Resveratrol

>  <Synonyms> (93)
N/A

>  <Target> (93)
Sirtuin

>  <Form> (93)
Free Base

>  <CAS> (93)
501-36-0

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

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/01132110042D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (94)
94

>  <Formula> (94)
C31H31ClFN7O2

>  <MolWeight> (94)
588.0749432

>  <Cat> (94)
S1451

>  <Name> (94)
Aurora A Inhibitor I

>  <Synonyms> (94)
N/A

>  <Target> (94)
Aurora Kinase

>  <Form> (94)
Free Base

>  <CAS> (94)
1158838-45-9

>  <URL> (94)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
PHA-6806320.cdx
csChFnd80/01132110042D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C28H35N7O2

>  <MolWeight> (95)
501.6232

>  <Cat> (95)
S1454

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PHA-680632

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VEGFR, PDGFR , FGFR 

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252916-29-3

>  <URL> (98)
http://www.selleckchem.com/products/TSU-68(SU6668).html

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864082-47-3

>  <URL> (99)
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PLK 

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173529-46-9 

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http://www.selleckchem.com/products/HMN-214.html

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497839-62-0

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>  <URL> (104)
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PI3K, VEGFR

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593960-11-3

>  <URL> (105)
http://www.selleckchem.com/products/PIK-93.html

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>  <Target> (106)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (106)
Free Base

>  <CAS> (106)
943319-70-8

>  <URL> (106)
http://www.selleckchem.com/products/AP24534.html

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107

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C24H22O6

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406.42788

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Palomid 529

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P529

>  <Target> (107)
mTOR

>  <Form> (107)
Free Base

>  <CAS> (107)
914913-88-5

>  <URL> (107)
http://www.selleckchem.com/products/Palomid-529-P529.html

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csChFnd80/01132110042D

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PI3K, mTOR

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1349796-36-6

>  <URL> (108)
http://www.selleckchem.com/products/XL765(SAR245409).html#

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>  <Synonyms> (109)
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>  <Target> (109)
CDK 

>  <Form> (109)
Free Base

>  <CAS> (109)
844442-38-2

>  <URL> (109)
http://www.selleckchem.com/products/AT7519.html

$$$$
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>  <Mol_ID> (110)
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>  <Formula> (110)
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>  <MolWeight> (110)
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>  <Cat> (110)
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>  <Name> (110)
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>  <Synonyms> (110)
N/A 

>  <Target> (110)
Wee1

>  <Form> (110)
Free Base

>  <CAS> (110)
955365-80-7

>  <URL> (110)
http://www.selleckchem.com/products/MK-1775.html

$$$$
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>  <Mol_ID> (111)
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>  <Formula> (111)
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>  <MolWeight> (111)
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>  <Cat> (111)
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>  <Name> (111)
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>  <Synonyms> (111)
N/A 

>  <Target> (111)
Flt

>  <Form> (111)
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>  <CAS> (111)
950769-58-1

>  <URL> (111)
http://www.selleckchem.com/products/AC-220.html

$$$$
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1094614-84-2

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>  <Target> (116)
Syk 

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Free Base

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841290-80-0

>  <URL> (116)
http://www.selleckchem.com/products/R406(free-base).html

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>  <Mol_ID> (117)
117

>  <Formula> (117)
C25H31N5O4

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AZD8055

>  <Synonyms> (117)
N/A 

>  <Target> (117)
mTOR

>  <Form> (117)
Free Base

>  <CAS> (117)
1009298-09-2

>  <URL> (117)
http://www.selleckchem.com/products/AZD8055.html

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>  <Mol_ID> (118)
118

>  <Formula> (118)
C20H31N3O2S2

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S1556

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PHT-427

>  <Synonyms> (118)
N/A 

>  <Target> (118)
Akt, PDK-1

>  <Form> (118)
Free Base

>  <CAS> (118)
1191951-57-1

>  <URL> (118)
http://www.selleckchem.com/products/PHT-427.html

$$$$
KRN633.cdx
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>  <Mol_ID> (119)
119

>  <Formula> (119)
C20H21ClN4O4

>  <MolWeight> (119)
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>  <Name> (119)
KRN 633

>  <Synonyms> (119)
N/A 

>  <Target> (119)
VEGFR, PDGFR

>  <Form> (119)
Free Base

>  <CAS> (119)
286370-15-8

>  <URL> (119)
http://www.selleckchem.com/products/KRN-633.html

$$$$
AT7867.cdx
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C20H20ClN3

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AT7867

>  <Synonyms> (120)
N/A

>  <Target> (120)
Akt, S6 kinase

>  <Form> (120)
Free Base

>  <CAS> (120)
857531-00-1

>  <URL> (120)
http://www.selleckchem.com/products/AT7867.html

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c-Met

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Free Base

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1025720-94-8

>  <URL> (121)
http://www.selleckchem.com/products/BMS-777607.html

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csChFnd80/01132110042D

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>  <Mol_ID> (122)
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PD318088

>  <Synonyms> (122)
N/A

>  <Target> (122)
MEK 

>  <Form> (122)
Free Base

>  <CAS> (122)
391210-00-7 

>  <URL> (122)
http://www.selleckchem.com/products/PD318088.html

$$$$
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>  <Mol_ID> (123)
123

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ATM 

>  <Form> (123)
Free Base

>  <CAS> (123)
925701-49-1

>  <URL> (123)
http://www.selleckchem.com/products/KU-60019.html

$$$$
BS-181.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (124)
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>  <Formula> (124)
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>  <Name> (124)
BS-181 HCl

>  <Synonyms> (124)
N/A

>  <Target> (124)
CDK 

>  <Form> (124)
Hydrochloride

>  <CAS> (124)
1397219-81-6

>  <URL> (124)
http://www.selleckchem.com/products/BS-181.html

$$$$
Fasudil HCl.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C14H18ClN3O2S

>  <MolWeight> (125)
327.82962

>  <Cat> (125)
S1573

>  <Name> (125)
Fasudil HCl (HA-1077)

>  <Synonyms> (125)
AT-877 

>  <Target> (125)
ROCK

>  <Form> (125)
Hydrochloride

>  <CAS> (125)
105628-07-7

>  <URL> (125)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/01132110042D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C31H37N5O3

>  <MolWeight> (126)
527.65718

>  <Cat> (126)
S1574

>  <Name> (126)
BIRB 796 (Doramapimod)

>  <Synonyms> (126)
N/A

>  <Target> (126)
p38 MAPK

>  <Form> (126)
Free Base

>  <CAS> (126)
285983-48-4

>  <URL> (126)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/01132110042D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C26H21N3O2S

>  <MolWeight> (127)
439.52884

>  <Cat> (127)
S1577

>  <Name> (127)
Tie2 kinase inhibitor

>  <Synonyms> (127)
N/A

>  <Target> (127)
Tie-2

>  <Form> (127)
Free Base

>  <CAS> (127)
948557-43-5

>  <URL> (127)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$

csChFnd80/01132110042D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (128)
128

>  <Formula> (128)
C27H30Cl2F2N6O

>  <MolWeight> (128)
563.4695064

>  <Cat> (128)
S2686

>  <Name> (128)
NVP-BSK805 2HCl

>  <Synonyms> (128)
N/A

>  <Target> (128)
JAK

>  <Form> (128)
HCl

>  <CAS> (128)
1092499-93-8 (free base)

>  <URL> (128)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/01132110042D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    3.0851    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C5H9NO3S

>  <MolWeight> (129)
163.19486

>  <Cat> (129)
S1623

>  <Name> (129)
Acetylcysteine

>  <Synonyms> (129)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (129)
AChR

>  <Form> (129)
Free Base

>  <CAS> (129)
616-91-1

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

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/01132110042D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2040    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 O   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
    1.2082    6.2879    0.0000 C   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
    4.8371    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5325    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7693    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3999    4.1899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3368    5.7555    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.5167    6.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3852    5.9938    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (130)
130

>  <Formula> (130)
C12H9N3O5S

>  <MolWeight> (130)
307.28196

>  <Cat> (130)
S1627

>  <Name> (130)
Nitazoxanide (Alinia, Annita)

>  <Synonyms> (130)
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza

>  <Target> (130)
Others

>  <Form> (130)
Free Base

>  <CAS> (130)
55981-09-4

>  <URL> (130)
http://www.selleckchem.com/products/Nitazoxanide(Alinia).html

$$$$
Artemisinin.cdx
csChFnd80/01132110042D

 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> (131)
131

>  <Formula> (131)
C15H22O5

>  <MolWeight> (131)
282.33218

>  <Cat> (131)
S1282

>  <Name> (131)
Artemisinin

>  <Synonyms> (131)
Qinghaosu

>  <Target> (131)
Antifection

>  <Form> (131)
Free Base

>  <CAS> (131)
63968-64-9

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

$$$$
APRISO (mesalamine).cdx
csChFnd80/01132110042D

 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> (132)
132

>  <Formula> (132)
C7H7NO3

>  <MolWeight> (132)
153.13538

>  <Cat> (132)
S1681

>  <Name> (132)
Mesalamine (Lialda)

>  <Synonyms> (132)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (132)
I¦ÊB/IKK

>  <Form> (132)
Free Base

>  <CAS> (132)
89-57-6

>  <URL> (132)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

$$$$
DCC-2036.cdx
csChFnd80/01132110042D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.3036    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    2.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    4.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    2.7704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1945    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    0.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    2.0728    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6789    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    2.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4707    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    4.7398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    3.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244    2.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9017    6.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421    7.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195    8.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    7.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    6.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6914    9.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003   10.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   10.2127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  2  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
 34 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 35  1  0  0  0  0
M  END
>  <Mol_ID> (133)
133

>  <Formula> (133)
C30H28FN7O3

>  <MolWeight> (133)
553.5868232

>  <Cat> (133)
S2634

>  <Name> (133)
DCC-2036 (Rebastinib)

>  <Synonyms> (133)
N/A 

>  <Target> (133)
Bcr-Abl

>  <Form> (133)
Free Base

>  <CAS> (133)
1020172-07-9

>  <URL> (133)
http://www.selleckchem.com/products/dcc-2036.html

$$$$
Pitavastatin calcium.cdx
csChFnd80/01132110042D

 63 68  0  0  0  0  0  0  0  0999 V2000
   12.5069    5.8382    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.1925   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    9.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    9.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363    8.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (134)
134

>  <Formula> (134)
C50H46CaF2N2O8

>  <MolWeight> (134)
880.9836464

>  <Cat> (134)
S1759

>  <Name> (134)
Pitavastatin calcium (Livalo)

>  <Synonyms> (134)
Livalo

>  <Target> (134)
HMG-CoA Reductase

>  <Form> (134)
Calcium salt

>  <CAS> (134)
147526-32-7

>  <URL> (134)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/01132110042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  6  0  0  0
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M  END
>  <Mol_ID> (135)
135

>  <Formula> (135)
C10H13N5O4

>  <MolWeight> (135)
267.24132

>  <Cat> (135)
S1784

>  <Name> (135)
Vidarabine (Vira-A)

>  <Synonyms> (135)
Vira-A

>  <Target> (135)
5-alpha Reductase 

>  <Form> (135)
Free Base

>  <CAS> (135)
5536-17-4

>  <URL> (135)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

$$$$
Acyclovir.cdx
csChFnd80/01132110042D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  6  1  0  0  0  0
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M  END
>  <Mol_ID> (136)
136

>  <Formula> (136)
C8H11N5O3

>  <MolWeight> (136)
225.20464

>  <Cat> (136)
S1807

>  <Name> (136)
Acyclovir (Aciclovir)

>  <Synonyms> (136)
Aciclovir, Acycloguanosine, Zovirax 

>  <Target> (136)
Antifection

>  <Form> (136)
Free Base

>  <CAS> (136)
59277-89-3 

>  <URL> (136)
http://www.selleckchem.com/products/Acyclovir(Aciclovir).html

$$$$
ADALAT (nifedipine).cdx
csChFnd80/01132110042D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6247    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8371    2.8000    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  7  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12  7  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (137)
137

>  <Formula> (137)
C17H18N2O6

>  <MolWeight> (137)
346.33462

>  <Cat> (137)
S1808

>  <Name> (137)
Nifedipine (Adalat)

>  <Synonyms> (137)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (137)
Calcium Channel

>  <Form> (137)
Free Base

>  <CAS> (137)
21829-25-4

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

$$$$
Amiloride hydrochloride.cdx
csChFnd80/01132110042D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1376    5.3651    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
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (138)
138

>  <Formula> (138)
C6H9Cl2N7O

>  <MolWeight> (138)
266.08796

>  <Cat> (138)
S1811

>  <Name> (138)
Amiloride HCl

>  <Synonyms> (138)
N/A

>  <Target> (138)
Sodium Channel,Calcium Channel

>  <Form> (138)
Hydrochloride

>  <CAS> (138)
2016-88-8

>  <URL> (138)
http://www.selleckchem.com/products/Amiloride-hydrochloride(Midamor).html

$$$$
Baricitinib.cdx
csChFnd80/01132110042D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.7433    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4211    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    0.4101    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
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 13 14  2  0  0  0  0
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 11 17  1  0  0  0  0
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 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
>  <Mol_ID> (139)
139

>  <Formula> (139)
C16H17N7O2S

>  <MolWeight> (139)
371.41688

>  <Cat> (139)
S2851

>  <Name> (139)
Baricitinib (LY3009104)

>  <Synonyms> (139)
INCB 28050

>  <Target> (139)
JAK

>  <Form> (139)
Free Base

>  <CAS> (139)
1187594-09-7

>  <URL> (139)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

$$$$
clemastine fumarate.cdx
csChFnd80/01132110042D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.2569    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8900    6.4325    0.0000 Cl  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
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 16 12  1  0  0  0  0
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 17 19  2  0  0  0  0
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 29 30  1  0  0  0  0
 26 31  2  0  0  0  0
 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C25H30ClNO5

>  <MolWeight> (140)
459.9624

>  <Cat> (140)
S1847

>  <Name> (140)
Clemastine Fumarate

>  <Synonyms> (140)
Tavist, Agasten 

>  <Target> (140)
Histamine Receptor

>  <Form> (140)
Fumarate

>  <CAS> (140)
14976-57-9

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

$$$$
Methylthiouracil.cdx
csChFnd80/01132110042D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C5H6N2OS

>  <MolWeight> (141)
142.17894

>  <Cat> (141)
S3138

>  <Name> (141)
Methylthiouracil

>  <Synonyms> (141)
N/A

>  <Target> (141)
Others

>  <Form> (141)
Free Base

>  <CAS> (141)
20547

>  <URL> (141)
http://www.selleckchem.com/products/methylthiouracil.html

$$$$
MENADIONE (menadione).cdx
csChFnd80/01132110042D

 13 14  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
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    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  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    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 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  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
 10 11  2  0  0  0  0
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  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C11H8O2

>  <MolWeight> (142)
172.18002

>  <Cat> (142)
S1949

>  <Name> (142)
Menadione

>  <Synonyms> (142)
Vitamin K3

>  <Target> (142)
DNA/RNA Synthesis,phosphatase

>  <Form> (142)
Free Base

>  <CAS> (142)
58-27-5

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/01132110042D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (143)
143

>  <Formula> (143)
C4H12ClN5

>  <MolWeight> (143)
165.62458

>  <Cat> (143)
S1950

>  <Name> (143)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (143)
Glucophage, Riomet, Diabex

>  <Target> (143)
Others

>  <Form> (143)
Hydrochloride

>  <CAS> (143)
1115-70-4

>  <URL> (143)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Tanshinone IIA.cdx
csChFnd80/01132110042D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (144)
144

>  <Formula> (144)
C19H18O3

>  <MolWeight> (144)
294.34442

>  <Cat> (144)
S2365

>  <Name> (144)
Tanshinone IIA (Tanshinone B)

>  <Synonyms> (144)
Tanshinone B, Tanshinone II

>  <Target> (144)
Lipase

>  <Form> (144)
Free Base

>  <CAS> (144)
568-72-9

>  <URL> (144)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

$$$$
Biochanin A.cdx
csChFnd80/01132110042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7024    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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 13 14  2  0  0  0  0
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 19 20  1  0  0  0  0
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M  END
>  <Mol_ID> (145)
145

>  <Formula> (145)
C16H12O5

>  <MolWeight> (145)
284.26348

>  <Cat> (145)
S2377

>  <Name> (145)
Biochanin A (4-Methylgenistein)

>  <Synonyms> (145)
4-Methylgenistein

>  <Target> (145)
FAAH

>  <Form> (145)
Free Base

>  <CAS> (145)
491-80-5

>  <URL> (145)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

$$$$
Diosmetin.cdx
csChFnd80/01132110042D

 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
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  1  2  2  0  0  0  0
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 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
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (146)
146

>  <Formula> (146)
C16H12O6

>  <MolWeight> (146)
300.26288

>  <Cat> (146)
S2380

>  <Name> (146)
Diosmetin (Luteolin 4-methyl ether)

>  <Synonyms> (146)
Luteolin 4-methyl ether

>  <Target> (146)
P450 (e.g. CYP17)

>  <Form> (146)
Free Base

>  <CAS> (146)
520-34-3

>  <URL> (146)
http://www.selleckchem.com/products/Diosmetin(Luteolin-4-methyl-ether).html

$$$$
Indirubin.cdx
csChFnd80/01132110042D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 14  1  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (147)
147

>  <Formula> (147)
C16H10N2O2

>  <MolWeight> (147)
262.2628

>  <Cat> (147)
S2386

>  <Name> (147)
Indirubin

>  <Synonyms> (147)
N/A

>  <Target> (147)
GSK-3

>  <Form> (147)
Free Base

>  <CAS> (147)
479-41-4 

>  <URL> (147)
http://www.selleckchem.com/products/Indirubin.html

$$$$
AMG 458.cdx
csChFnd80/01132110042D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (148)
148

>  <Formula> (148)
C30H29N5O5

>  <MolWeight> (148)
539.58176

>  <Cat> (148)
S2747

>  <Name> (148)
AMG458

>  <Synonyms> (148)
N/A

>  <Target> (148)
c-Met

>  <Form> (148)
Free Base

>  <CAS> (148)
913376-83-7 

>  <URL> (148)
http://www.selleckchem.com/products/amg458.html

$$$$
Arry-380.cdx
csChFnd80/01132110042D

 41 46  0  0  0  0  0  0  0  0999 V2000
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CDK

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802539-81-7

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http://www.selleckchem.com/products/pha-848125.html

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>  <Mol_ID> (153)
153

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C25H23N5O2

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425.48242

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GW788388

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N/A

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TGF-beta/Smad

>  <Form> (153)
Free Base

>  <CAS> (153)
452342-67-5

>  <URL> (153)
http://www.selleckchem.com/products/gw788388.html

$$$$
Lapatinib freebase.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (154)
154

>  <Formula> (154)
C29H26ClFN4O4S

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>  <Cat> (154)
S2111

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Lapatinib

>  <Synonyms> (154)
N/A

>  <Target> (154)
EGFR, HER2

>  <Form> (154)
Free Base

>  <CAS> (154)
231277-92-2

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

$$$$
NVP-BGT226.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (155)
155

>  <Formula> (155)
C32H29F3N6O6

>  <MolWeight> (155)
650.6044696

>  <Cat> (155)
S2749

>  <Name> (155)
NVP-BGT226

>  <Synonyms> (155)
N/A 

>  <Target> (155)
PI3K, mTOR

>  <Form> (155)
Maleate

>  <CAS> (155)
1245537-68-1

>  <URL> (155)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/01132110042D

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PI3K 

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371942-69-7

>  <URL> (156)
http://www.selleckchem.com/products/ym201636.html

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csChFnd80/01132110042D

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IGF-1R

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65678-07-1

>  <URL> (157)
http://www.selleckchem.com/products/ag-1024-tyrphostin.html

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158

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C6H7N5

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3-Methyladenine (3-MA)

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3-MA

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PI3K

>  <Form> (158)
Free Base

>  <CAS> (158)
5142-23-4

>  <URL> (158)
http://www.selleckchem.com/products/3-methyladenine.html

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159

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C23H19N3O2

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S2753

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ARQ 197 (Tivantinib)

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N/A 

>  <Target> (159)
c-Met

>  <Form> (159)
Free Base

>  <CAS> (159)
905854-02-6

>  <URL> (159)
http://www.selleckchem.com/products/arq-197.html

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160

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C23H26IN7O2S

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BX-795

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N/A

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PDK-1, IKK

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>  <CAS> (160)
702675-74-9

>  <URL> (160)
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>  <Mol_ID> (161)
161

>  <Formula> (161)
C20H23BrN8O

>  <MolWeight> (161)
471.35362

>  <Cat> (161)
S1275

>  <Name> (161)
BX-912

>  <Synonyms> (161)
N/A

>  <Target> (161)
PDK-1 

>  <Form> (161)
Free Base

>  <CAS> (161)
702674-56-4

>  <URL> (161)
http://www.selleckchem.com/products/bx-912.html

$$$$
NVP-BVU972.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (162)
162

>  <Formula> (162)
C20H16N6

>  <MolWeight> (162)
340.38124

>  <Cat> (162)
S2761

>  <Name> (162)
NVP-BVU972

>  <Synonyms> (162)
N/A

>  <Target> (162)
c-Met

>  <Form> (162)
Free Base

>  <CAS> (162)
1185763-69-2

>  <URL> (162)
http://www.selleckchem.com/products/nvp-bvu972.html

$$$$
CUDC-907.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (163)
163

>  <Formula> (163)
C23H24N8O4S

>  <MolWeight> (163)
508.55286

>  <Cat> (163)
S2759

>  <Name> (163)
CUDC-907

>  <Synonyms> (163)
N/A

>  <Target> (163)
HDAC, PI3K

>  <Form> (163)
Free Base

>  <CAS> (163)
1339928-25-4

>  <URL> (163)
http://www.selleckchem.com/products/cudc-907.html

$$$$

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>  <Mol_ID> (164)
164

>  <Formula> (164)
C27H33FN6O7

>  <MolWeight> (164)
572.5853232

>  <Cat> (164)
S2769

>  <Name> (164)
Dovitinib Dilactic acid (TKI258 Dilactic aci

>  <Synonyms> (164)
CHIR-258 Dilactic acid 

>  <Target> (164)
Flt, FGFR, PDGFR, VEGFR, c-Kit

>  <Form> (164)
Dilactic Acid 

>  <CAS> (164)
852433-84-2

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

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165

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C31H26ClFN4O5S

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AST-1306

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N/A

>  <Target> (165)
EGFR

>  <Form> (165)
Mesylate

>  <CAS> (165)
1050500-29-2

>  <URL> (165)
http://www.selleckchem.com/products/ast-1306.html

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CDK

>  <Form> (166)
Free Base

>  <CAS> (166)
582315-72-8

>  <URL> (166)
http://www.selleckchem.com/products/bms-265246.html

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TGF-beta/Smad 

>  <Form> (167)
Free Base

>  <CAS> (167)
694433-59-5

>  <URL> (167)
http://www.selleckchem.com/products/sb-505124.html

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N/A 

>  <Target> (168)
c-Met, FGFR, PDGFR

>  <Form> (168)
Free Base

>  <CAS> (168)
917879-39-1

>  <URL> (168)
http://www.selleckchem.com/products/mk-2461.html

$$$$
Nocodazole.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (169)
169

>  <Formula> (169)
C14H11N3O3S

>  <MolWeight> (169)
301.32044

>  <Cat> (169)
S2775

>  <Name> (169)
Nocodazole

>  <Synonyms> (169)
N/A 

>  <Target> (169)
Microtubule Associated

>  <Form> (169)
Free Base

>  <CAS> (169)
31430-18-9

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

$$$$
AZD2014.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (170)
170

>  <Formula> (170)
C25H30N6O3

>  <MolWeight> (170)
462.5441

>  <Cat> (170)
S2783

>  <Name> (170)
Vistusertib (AZD2014)

>  <Synonyms> (170)
N/A 

>  <Target> (170)
mTOR

>  <Form> (170)
Free Base

>  <CAS> (170)
1009298-59-2

>  <URL> (170)
http://www.selleckchem.com/products/azd2014.html

$$$$
TAK-285.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (171)
171

>  <Formula> (171)
C26H25ClF3N5O3

>  <MolWeight> (171)
547.9566096

>  <Cat> (171)
S2784

>  <Name> (171)
TAK-285

>  <Synonyms> (171)
N/A

>  <Target> (171)
EGFR, HER2

>  <Form> (171)
Free Base

>  <CAS> (171)
871026-44-7

>  <URL> (171)
http://www.selleckchem.com/products/tak-285.html

$$$$
CP-690550.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (172)
172

>  <Formula> (172)
C16H20N6O

>  <MolWeight> (172)
312.3696

>  <Cat> (172)
S2789

>  <Name> (172)
Tofacitinib (CP-690550, Tasocitinib)

>  <Synonyms> (172)
Tasocitinib 

>  <Target> (172)
JAK

>  <Form> (172)
Free Base

>  <CAS> (172)
477600-75-2

>  <URL> (172)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

$$$$
WP1066.cdx
csChFnd80/01132110042D

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857064-38-1

>  <URL> (173)
http://www.selleckchem.com/products/wp1066.html

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>  <Synonyms> (174)
N/A 

>  <Target> (174)
Others

>  <Form> (174)
Free Base

>  <CAS> (174)
10083-24-6

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

$$$$
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>  <Synonyms> (175)
N/A 

>  <Target> (175)
PKC 

>  <Form> (175)
Free Base

>  <CAS> (175)
425637-18-9

>  <URL> (175)
http://www.selleckchem.com/products/sotrastaurin-aeb071.html

$$$$
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>  <Formula> (176)
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>  <Synonyms> (176)
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>  <Target> (176)
Transferase

>  <Form> (176)
Free Base

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193275-84-2

>  <URL> (176)
http://www.selleckchem.com/products/lonafarnib-sch66336.html

$$$$
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>  <Mol_ID> (181)
181

>  <Formula> (181)
C24H15F3N4O

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N/A 

>  <Target> (181)
mTOR

>  <Form> (181)
Free Base

>  <CAS> (181)
1223001-51-1

>  <URL> (181)
http://www.selleckchem.com/products/torin-2.html

$$$$
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csChFnd80/01132110042D

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>  <Mol_ID> (182)
182

>  <Formula> (182)
C19H22F3N5O2S

>  <MolWeight> (182)
441.4704896

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S2814

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Alpelisib (BYL719)

>  <Synonyms> (182)
N/A 

>  <Target> (182)
PI3K

>  <Form> (182)
Free Base

>  <CAS> (182)
1217486-61-7

>  <URL> (182)
http://www.selleckchem.com/products/byl719.html

$$$$
CEP33779.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (183)
183

>  <Formula> (183)
C24H26N6O2S

>  <MolWeight> (183)
462.56724

>  <Cat> (183)
S2806

>  <Name> (183)
CEP33779

>  <Synonyms> (183)
N/A

>  <Target> (183)
JAK

>  <Form> (183)
Free Base

>  <CAS> (183)
1257704-57-6

>  <URL> (183)
http://www.selleckchem.com/products/cep33779.html

$$$$
NVP-TAE226.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (184)
184

>  <Formula> (184)
C23H25ClN6O3

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468.936

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S2820

>  <Name> (184)
NVP-TAE226

>  <Synonyms> (184)
N/A 

>  <Target> (184)
FAK

>  <Form> (184)
Free Base

>  <CAS> (184)
761437-28-9

>  <URL> (184)
http://www.selleckchem.com/products/nvp-tae226.html

$$$$
Quercetin.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (185)
185

>  <Formula> (185)
C15H10O7

>  <MolWeight> (185)
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>  <Cat> (185)
S2391

>  <Name> (185)
Quercetin (Sophoretin)

>  <Synonyms> (185)
Meletin, Quercetine

>  <Target> (185)
PI3K, PKC, Src, Sirtuin

>  <Form> (185)
Free Base

>  <CAS> (185)
117-39-5

>  <URL> (185)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
Salidroside.cdx
csChFnd80/01132110042D

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10338-51-9

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VEGFR

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Free Base

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417716-92-8

>  <URL> (187)
http://www.selleckchem.com/products/E7080.html

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MEK

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Free Base

>  <CAS> (188)
869357-68-6

>  <URL> (188)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

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Flt, Bcr-Abl, Aurora Kinase

>  <Form> (189)
Free Base

>  <CAS> (189)
1000669-72-6

>  <URL> (189)
http://www.selleckchem.com/products/KW-2449.html

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N/A 

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Raf, VEGFR

>  <Form> (190)
Free Base

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927880-90-8

>  <URL> (190)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

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C9H6O4

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S2554

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Daphnetin

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N/A 

>  <Target> (191)
DNA/RNA Synthesis

>  <Form> (191)
Free Base

>  <CAS> (191)
486-35-1

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

$$$$
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>  <Mol_ID> (192)
192

>  <Formula> (192)
C23H25ClFN7O

>  <MolWeight> (192)
469.9423032

>  <Cat> (192)
S2179

>  <Name> (192)
Gandotinib (LY2784544)

>  <Synonyms> (192)
N/A

>  <Target> (192)
JAK 

>  <Form> (192)
Free Base

>  <CAS> (192)
1229236-86-5

>  <URL> (192)
http://www.selleckchem.com/products/LY2784544.html

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>  <Mol_ID> (193)
193

>  <Formula> (193)
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AZD8931

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>  <Target> (193)
EGFR, HER2

>  <Form> (193)
Free Base

>  <CAS> (193)
848942-61-0

>  <URL> (193)
http://www.selleckchem.com/products/AZD8931.html

$$$$
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Besylate

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841290-81-1

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Free Base

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>  <Mol_ID> (198)
198

>  <Formula> (198)
C26H20F3N7O

>  <MolWeight> (198)
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S2202

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NVP-BHG712

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N/A

>  <Target> (198)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (198)
Free Base

>  <CAS> (198)
940310-85-0

>  <URL> (198)
http://www.selleckchem.com/products/NVP-BHG712.html

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OSI 420.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (199)
199

>  <Formula> (199)
C21H22ClN3O4

>  <MolWeight> (199)
415.87008

>  <Cat> (199)
S2205

>  <Name> (199)
OSI-420 (Desmethyl Erlotinib)

>  <Synonyms> (199)
CP-473420 

>  <Target> (199)
EGFR

>  <Form> (199)
Hydrochloride

>  <CAS> (199)
183320-51-6

>  <URL> (199)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

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PIK 293.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (200)
200

>  <Formula> (200)
C22H19N7O

>  <MolWeight> (200)
397.43256

>  <Cat> (200)
S2207

>  <Name> (200)
PIK-293

>  <Synonyms> (200)
N/A

>  <Target> (200)
PI3K

>  <Form> (200)
Free Base

>  <CAS> (200)
900185-01-5 

>  <URL> (200)
http://www.selleckchem.com/products/PIK-293.html

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csChFnd80/01132110042D

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>  <Mol_ID> (201)
201

>  <Formula> (201)
C18H16F2N6

>  <MolWeight> (201)
354.3566464

>  <Cat> (201)
S2214

>  <Name> (201)
AZ 960

>  <Synonyms> (201)
N/A

>  <Target> (201)
JAK

>  <Form> (201)
Free Base

>  <CAS> (201)
905586-69-8

>  <URL> (201)
http://www.selleckchem.com/products/AZ-960.html

$$$$
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202

>  <Formula> (202)
C25H23F3N4O2

>  <MolWeight> (202)
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>  <Cat> (202)
S2216

>  <Name> (202)
Mubritinib (TAK 165)

>  <Synonyms> (202)
TAK 165, TAK165

>  <Target> (202)
HER2

>  <Form> (202)
Free Base

>  <CAS> (202)
366017-09-6

>  <URL> (202)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
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>  <Mol_ID> (203)
203

>  <Formula> (203)
C16H16N6O

>  <MolWeight> (203)
308.33784

>  <Cat> (203)
S2218

>  <Name> (203)
Torkinib (PP242)

>  <Synonyms> (203)
TORKinib 

>  <Target> (203)
mTOR

>  <Form> (203)
Free Base

>  <CAS> (203)
1092351-67-1

>  <URL> (203)
http://www.selleckchem.com/products/PP242.html

$$$$
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>  <Mol_ID> (204)
204

>  <Formula> (204)
C23H22N6O2

>  <MolWeight> (204)
414.45978

>  <Cat> (204)
S2219

>  <Name> (204)
Momelotinib (CYT387)

>  <Synonyms> (204)
CYT 11387 

>  <Target> (204)
JAK 

>  <Form> (204)
Free Base

>  <CAS> (204)
1056634-68-4

>  <URL> (204)
http://www.selleckchem.com/products/Cyt387.html

$$$$
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csChFnd80/01132110042D

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>  <Mol_ID> (205)
205

>  <Formula> (205)
C27H27N5O2

>  <MolWeight> (205)
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>  <Cat> (205)
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>  <Name> (205)
SB590885

>  <Synonyms> (205)
GSK2118436 

>  <Target> (205)
Raf

>  <Form> (205)
Free Base

>  <CAS> (205)
405554-55-4 

>  <URL> (205)
http://www.selleckchem.com/products/SB590885.html

$$$$
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   12.1033   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 14 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
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 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (206)
206

>  <Formula> (206)
C22H18O11

>  <MolWeight> (206)
458.37172

>  <Cat> (206)
S2250

>  <Name> (206)
(-)-Epigallocatechin gallate

>  <Synonyms> (206)
EGCG

>  <Target> (206)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (206)
Free Base

>  <CAS> (206)
989-51-5

>  <URL> (206)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
(+)-Usniacin.cdx
csChFnd80/01132110042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    1.2082    3.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2 10  2  0  0  0  0
  6 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  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
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  5 25  1  6  0  0  0
M  END
>  <Mol_ID> (207)
207

>  <Formula> (207)
C18H16O7

>  <MolWeight> (207)
344.31544

>  <Cat> (207)
S2252

>  <Name> (207)
(+)-Usniacin (D-Usnic acid)

>  <Synonyms> (207)
D-Usnic acid

>  <Target> (207)
Others

>  <Form> (207)
Free Base

>  <CAS> (207)
7562-61-0

>  <URL> (207)
http://www.selleckchem.com/products/(+)-Usniacin(D-Usnic-acid).html

$$$$
AESCULIN.cdx
csChFnd80/01132110042D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.6289    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  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
  9 12  2  0  0  0  0
  2 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  1  0  0  0
 18 21  1  1  0  0  0
 20 22  1  0  0  0  0
 17 23  1  6  0  0  0
 19 24  1  6  0  0  0
M  END
>  <Mol_ID> (208)
208

>  <Formula> (208)
C15H16O9

>  <MolWeight> (208)
340.28214

>  <Cat> (208)
S2258

>  <Name> (208)
Aesculin (Esculin)

>  <Synonyms> (208)
Esculin

>  <Target> (208)
Others

>  <Form> (208)
Free Base

>  <CAS> (208)
531-75-9

>  <URL> (208)
http://www.selleckchem.com/products/Aesculin(Esculin).html

$$$$
Apigenin.cdx
csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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  2 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 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> (209)
209

>  <Formula> (209)
C15H10O5

>  <MolWeight> (209)
270.2369

>  <Cat> (209)
S2262

>  <Name> (209)
Apigenin

>  <Synonyms> (209)
N/A

>  <Target> (209)
P450

>  <Form> (209)
Free Base

>  <CAS> (209)
520-36-5

>  <URL> (209)
http://www.selleckchem.com/products/Apigenin.html

$$$$
Asiatic acid.cdx
csChFnd80/01132110042D

 38 42  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.5249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6331    5.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    5.9249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  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
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  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  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  1 23  1  6  0  0  0
  4 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 21 27  1  6  0  0  0
  3 28  1  6  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
  5 31  1  1  0  0  0
  9 32  1  1  0  0  0
 18 33  1  1  0  0  0
 22 34  1  1  0  0  0
 17 35  1  1  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 28 38  1  0  0  0  0
M  END
>  <Mol_ID> (210)
210

>  <Formula> (210)
C30H48O5

>  <MolWeight> (210)
488.69912

>  <Cat> (210)
S2266

>  <Name> (210)
Asiatic acid

>  <Synonyms> (210)
N/A

>  <Target> (210)
p38 MAPK

>  <Form> (210)
Free Base

>  <CAS> (210)
464-92-6

>  <URL> (210)
http://www.selleckchem.com/products/Asiatic-acid.html

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/01132110042D

 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
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    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    7.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662    8.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7739    8.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6214    0.0802    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (211)
211

>  <Formula> (211)
C20H18ClNO4

>  <MolWeight> (211)
371.81422

>  <Cat> (211)
S2271

>  <Name> (211)
Berberine chloride

>  <Synonyms> (211)
N/A

>  <Target> (211)
Antifection

>  <Form> (211)
chloride

>  <CAS> (211)
633-65-8

>  <URL> (211)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

$$$$
Emodin.cdx
csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.4951    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
    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
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5903    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
    7.2704    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    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  1  0  0  0  0
  4  5  2  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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
  6 17  2  0  0  0  0
  3 18  2  0  0  0  0
 14 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (212)
212

>  <Formula> (212)
C15H10O5

>  <MolWeight> (212)
270.2369

>  <Cat> (212)
S2295

>  <Name> (212)
Emodin

>  <Synonyms> (212)
N/A

>  <Target> (212)
Dehydrogenase

>  <Form> (212)
Free Base

>  <CAS> (212)
518-82-1

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

$$$$
Formononetin.cdx
csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C16H12O4

>  <MolWeight> (213)
268.26408

>  <Cat> (213)
S2299

>  <Name> (213)
Formononetin (Formononetol)

>  <Synonyms> (213)
Biochanin B, Formononetol 

>  <Target> (213)
Others

>  <Form> (213)
Free Base

>  <CAS> (213)
485-72-3

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

$$$$
Fumalic acid.cdx
csChFnd80/01132110042D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (214)
214

>  <Formula> (214)
C10H10O4

>  <MolWeight> (214)
194.184

>  <Cat> (214)
S2300

>  <Name> (214)
Fumalic acid (Ferulic acid)

>  <Synonyms> (214)
Ferulic acid

>  <Target> (214)
Others

>  <Form> (214)
Free Base

>  <CAS> (214)
1135-24-6

>  <URL> (214)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

$$$$
Hesperetin.cdx
csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (215)
215

>  <Formula> (215)
C16H14O6

>  <MolWeight> (215)
302.27876

>  <Cat> (215)
S2308

>  <Name> (215)
Hesperetin

>  <Synonyms> (215)
N/A

>  <Target> (215)
Histamine Receptor

>  <Form> (215)
Free Base

>  <CAS> (215)
520-33-2

>  <URL> (215)
http://www.selleckchem.com/products/Hesperetin.html

$$$$
Honokiol.cdx
csChFnd80/01132110042D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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> (216)
216

>  <Formula> (216)
C18H18O2

>  <MolWeight> (216)
266.33432

>  <Cat> (216)
S2310

>  <Name> (216)
Honokiol

>  <Synonyms> (216)
N/A

>  <Target> (216)
Akt, MEK

>  <Form> (216)
Free Base

>  <CAS> (216)
35354-74-6

>  <URL> (216)
http://www.selleckchem.com/products/Honokiol.html

$$$$
Myricetin.cdx
csChFnd80/01132110042D

 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
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    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.3976    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
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   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  4  7  1  0  0  0  0
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  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
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (217)
217

>  <Formula> (217)
C15H10O8

>  <MolWeight> (217)
318.2351

>  <Cat> (217)
S2326

>  <Name> (217)
Myricetin (Cannabiscetin)

>  <Synonyms> (217)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (217)
NULL

>  <Form> (217)
Free Base

>  <CAS> (217)
529-44-2

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

$$$$
Myricitrin.cdx
csChFnd80/01132110042D

 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
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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
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (218)
218

>  <Formula> (218)
C21H20O12

>  <MolWeight> (218)
464.3763

>  <Cat> (218)
S2327

>  <Name> (218)
Myricitrin (Myricitrine)

>  <Synonyms> (218)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (218)
PKC

>  <Form> (218)
Free Base

>  <CAS> (218)
17912-87-7

>  <URL> (218)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Oridonin.cdx
csChFnd80/01132110042D

 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
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    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
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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
  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> (219)
219

>  <Formula> (219)
C20H28O6

>  <MolWeight> (219)
364.43272

>  <Cat> (219)
S2335

>  <Name> (219)
Oridonin (Isodonol)

>  <Synonyms> (219)
Isodonol

>  <Target> (219)
Others

>  <Form> (219)
Free Base

>  <CAS> (219)
28957-04-2

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/01132110042D

 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
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    4.8455    1.3951    0.0000 C   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
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    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> (220)
220

>  <Formula> (220)
C15H14O9

>  <MolWeight> (220)
338.26626

>  <Cat> (220)
S2347

>  <Name> (220)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (220)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (220)
Others

>  <Form> (220)
Dihydrate

>  <CAS> (220)
6151-25-3

>  <URL> (220)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    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
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    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> (221)
221

>  <Formula> (221)
C15H12O8

>  <MolWeight> (221)
320.25098

>  <Cat> (221)
S2399

>  <Name> (221)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (221)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (221)
Others

>  <Form> (221)
Free Base

>  <CAS> (221)
27200-12-0

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

$$$$
Sophocarpine.cdx
csChFnd80/01132110042D

 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
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    2.4249    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    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
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    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (222)
222

>  <Formula> (222)
C15H22N2O

>  <MolWeight> (222)
246.34798

>  <Cat> (222)
S2405

>  <Name> (222)
Sophocarpine

>  <Synonyms> (222)
N/A

>  <Target> (222)
Others

>  <Form> (222)
Free Base

>  <CAS> (222)
6483-15-4

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

$$$$
Chrysophanic acid.cdx
csChFnd80/01132110042D

 19 21  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 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
    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  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  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 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
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    8.4828    4.1927    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
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  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
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 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
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C15H10O4

>  <MolWeight> (223)
254.2375

>  <Cat> (223)
S2406

>  <Name> (223)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (223)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (223)
EGFR, mTOR

>  <Form> (223)
Free Base

>  <CAS> (223)
481-74-3

>  <URL> (223)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Curcumol.cdx
csChFnd80/01132110042D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    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  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (224)
224

>  <Formula> (224)
C15H24O2

>  <MolWeight> (224)
236.34986

>  <Cat> (224)
S2407

>  <Name> (224)
Curcumol

>  <Synonyms> (224)
N/A

>  <Target> (224)
JAK

>  <Form> (224)
Free Base

>  <CAS> (224)
4871-97-0

>  <URL> (224)
http://www.selleckchem.com/products/Curcumol.html

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/01132110042D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.7455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6784    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    0.0000    0.0000 Cl  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
  4  5  1  0  0  0  0
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  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (225)
225

>  <Formula> (225)
C18H29ClN2O

>  <MolWeight> (225)
324.88866

>  <Cat> (225)
S2454

>  <Name> (225)
Bupivacaine hydrochloride (Marcain)

>  <Synonyms> (225)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (225)
Sodium Channel

>  <Form> (225)
Hydrochloride

>  <CAS> (225)
18010-40-7

>  <URL> (225)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

$$$$
Imatinib.cdx
csChFnd80/01132110042D

 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
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    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
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    3.6289    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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152459-95-5

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Src

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936563-96-1

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934541-31-8

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http://www.selleckchem.com/products/tak-901.html

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M  END
>  <Mol_ID> (230)
230

>  <Formula> (230)
C28H21N7OS

>  <MolWeight> (230)
503.57764

>  <Cat> (230)
S2719

>  <Name> (230)
AMG 900

>  <Synonyms> (230)
N/A

>  <Target> (230)
Aurora Kinase

>  <Form> (230)
Free Base

>  <CAS> (230)
945595-80-2

>  <URL> (230)
http://www.selleckchem.com/products/amg-900.html

$$$$

csChFnd80/01132110042D

 34 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (231)
231

>  <Formula> (231)
C22H30Cl2N4O6

>  <MolWeight> (231)
517.4028

>  <Cat> (231)
S2485

>  <Name> (231)
Mitoxantrone 2HCl

>  <Synonyms> (231)
NSC-301739

>  <Target> (231)
Topoisomerase

>  <Form> (231)
Dihydrochloride

>  <CAS> (231)
70476-82-3

>  <URL> (231)
http://www.selleckchem.com/products/Mitoxantrone.html

$$$$
GSK2126458.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (232)
232

>  <Formula> (232)
C25H17F2N5O3S

>  <MolWeight> (232)
505.4959864

>  <Cat> (232)
S2658

>  <Name> (232)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (232)
N/A 

>  <Target> (232)
PI3K, mTOR

>  <Form> (232)
Free Base

>  <CAS> (232)
1086062-66-9 

>  <URL> (232)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
fty720.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (233)
233

>  <Formula> (233)
C19H34ClNO2

>  <MolWeight> (233)
343.93176

>  <Cat> (233)
S5002

>  <Name> (233)
Fingolimod (FTY720) HCl

>  <Synonyms> (233)
Gilenia 

>  <Target> (233)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (233)
Hydrochloride

>  <URL> (233)
http://www.selleckchem.com/products/FTY720.html

$$$$
CP-690550 citrate.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (234)
234

>  <Formula> (234)
C22H28N6O8

>  <MolWeight> (234)
504.49312

>  <Cat> (234)
S5001

>  <Name> (234)
Tofacitinib citrate (CP-690550 citrate)

>  <Synonyms> (234)
N/A 

>  <Target> (234)
JAK

>  <Form> (234)
Citrate

>  <CAS> (234)
540737-29-9

>  <URL> (234)
http://www.selleckchem.com/products/CP-690550.html

$$$$
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>  <Mol_ID> (235)
235

>  <Formula> (235)
C22H18FN7O

>  <MolWeight> (235)
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>  <Cat> (235)
S2226

>  <Name> (235)
CAL-101 (GS-1101)

>  <Synonyms> (235)
CAL101

>  <Target> (235)
PI3K 

>  <Form> (235)
Free Base

>  <CAS> (235)
870281-82-6

>  <URL> (235)
http://www.selleckchem.com/products/CAL-101.html

$$$$
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>  <Mol_ID> (236)
236

>  <Formula> (236)
C34H50N8O3

>  <MolWeight> (236)
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>  <Cat> (236)
S2235

>  <Name> (236)
BI6727 (Volasertib)

>  <Synonyms> (236)
N/A 

>  <Target> (236)
PLK 

>  <Form> (236)
Free Base

>  <CAS> (236)
755038-65-4

>  <URL> (236)
http://www.selleckchem.com/products/BI6727-Volasertib.html

$$$$
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>  <Formula> (237)
C28H23N7O2

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>  <Cat> (237)
S2227

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PIK-294

>  <Synonyms> (237)
N/A 

>  <Target> (237)
PI3K 

>  <Form> (237)
Free Base

>  <CAS> (237)
900185-02-6

>  <URL> (237)
http://www.selleckchem.com/products/PIK-294.html

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/01132110042D

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>  <Mol_ID> (238)
238

>  <Formula> (238)
C20H16ClN5O3

>  <MolWeight> (238)
409.82574

>  <Cat> (238)
S2231

>  <Name> (238)
Telatinib (BAY 57-9352)

>  <Synonyms> (238)
N/A 

>  <Target> (238)
VEGFR, PDGFR, c-Kit

>  <Form> (238)
Free Base

>  <CAS> (238)
332012-40-5

>  <URL> (238)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (239)
239

>  <Formula> (239)
C10H16ClN5

>  <MolWeight> (239)
241.72054

>  <Cat> (239)
S2542

>  <Name> (239)
Phenformin hydrochloride 

>  <Synonyms> (239)
N/A

>  <Target> (239)
AMPK

>  <Form> (239)
Hydrochloride 

>  <CAS> (239)
834-28-6

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

$$$$
AZD5438.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (240)
240

>  <Formula> (240)
C18H21N5O2S

>  <MolWeight> (240)
371.45664

>  <Cat> (240)
S2621

>  <Name> (240)
AZD5438

>  <Synonyms> (240)
N/A 

>  <Target> (240)
CDK

>  <Form> (240)
Free Base

>  <CAS> (240)
602306-29-6 

>  <URL> (240)
http://www.selleckchem.com/products/AZD5438.html

$$$$
OSI-027.cdx
csChFnd80/01132110042D

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241

>  <Formula> (241)
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>  <Cat> (241)
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>  <Name> (241)
OSI-027

>  <Synonyms> (241)
N/A 

>  <Target> (241)
mTOR

>  <Form> (241)
Free Base

>  <CAS> (241)
936890-98-1

>  <URL> (241)
http://www.selleckchem.com/products/OSI027.html

$$$$
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M  END
>  <Mol_ID> (242)
242

>  <Formula> (242)
C17H17N7

>  <MolWeight> (242)
319.36378

>  <Cat> (242)
S2622

>  <Name> (242)
PP-121

>  <Synonyms> (242)
N/A

>  <Target> (242)
DNA-PK, mTOR, PDGF

>  <Form> (242)
Free Base

>  <CAS> (242)
1092788-83-4

>  <URL> (242)
http://www.selleckchem.com/products/PP121.html

$$$$
WP1130.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (243)
243

>  <Formula> (243)
C19H18BrN3O

>  <MolWeight> (243)
384.26972

>  <Cat> (243)
S2243

>  <Name> (243)
Degrasyn (WP1130)

>  <Synonyms> (243)
N/A

>  <Target> (243)
DUB, Bcr-Abl

>  <Form> (243)
Free Base

>  <CAS> (243)
856243-80-6

>  <URL> (243)
http://www.selleckchem.com/products/WP1130.html

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (244)
244

>  <Formula> (244)
C11H18ClNO3

>  <MolWeight> (244)
247.71852

>  <Cat> (244)
S2566

>  <Name> (244)
Isoprenaline hydrochloride

>  <Synonyms> (244)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (244)
Adrenergic Receptor

>  <Form> (244)
Hydrochloride

>  <CAS> (244)
51-30-9

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

$$$$
BKM-120.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (245)
245

>  <Formula> (245)
C18H21F3N6O2

>  <MolWeight> (245)
410.3935496

>  <Cat> (245)
S2247

>  <Name> (245)
BKM120 (NVP-BKM120)

>  <Synonyms> (245)
N/A 

>  <Target> (245)
PI3K

>  <Form> (245)
Free Base

>  <CAS> (245)
944396-07-0

>  <URL> (245)
http://www.selleckchem.com/products/BKM-120.html

$$$$
CX-4945.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (246)
246

>  <Formula> (246)
C19H12ClN3O2

>  <MolWeight> (246)
349.77048

>  <Cat> (246)
S2248

>  <Name> (246)
cx-4945 (Silmitasertib)

>  <Synonyms> (246)
N/A 

>  <Target> (246)
PKC

>  <Form> (246)
Free Base

>  <CAS> (246)
1009820-21-6

>  <URL> (246)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

$$$$
LY2157299.cdx
csChFnd80/01132110042D

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1062159-35-6 

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mTOR

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Free Base

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1144068-46-1

>  <URL> (261)
http://www.selleckchem.com/products/wye-125132.html

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c-Met

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Free Base

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477575-56-7

>  <URL> (268)
http://www.selleckchem.com/products/PHA-665752.html

$$$$
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>  <Mol_ID> (269)
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Geldanamycin

>  <Synonyms> (269)
N/A

>  <Target> (269)
HSP

>  <Form> (269)
Free Base

>  <CAS> (269)
30562-34-6

>  <URL> (269)
http://www.selleckchem.com/products/geldanamycin.html

$$$$
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>  <Synonyms> (270)
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AMPK

>  <Form> (270)
Free Base

>  <CAS> (270)
844499-71-4

>  <URL> (270)
http://www.selleckchem.com/products/a-769662.html

$$$$
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JAK 

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936091-26-8

>  <URL> (275)
http://www.selleckchem.com/products/tg-101348.html

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AZ 3146

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>  <Target> (276)
Kinesin

>  <Form> (276)
Free Base

>  <CAS> (276)
1124329-14-1

>  <URL> (276)
http://www.selleckchem.com/products/az-3146.html

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PI3K, mTOR

>  <Form> (277)
Free Base

>  <CAS> (277)
1007207-67-1

>  <URL> (277)
http://www.selleckchem.com/products/ch5132799.html

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>  <Form> (278)
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1032754-93-0

>  <URL> (278)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

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279

>  <Formula> (279)
C21H21Cl2NO5

>  <MolWeight> (279)
438.30114

>  <Cat> (279)
S2679

>  <Name> (279)
Flavopiridol (Alvocidib) HCl

>  <Synonyms> (279)
N/A

>  <Target> (279)
CDK

>  <Form> (279)
Hydrochloride

>  <CAS> (279)
131740-09-5

>  <URL> (279)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

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280

>  <Formula> (280)
C22H19BrF2N2O3

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477.2986664

>  <Cat> (280)
S2726

>  <Name> (280)
PH-797804

>  <Synonyms> (280)
N/A

>  <Target> (280)
p38 MAPK

>  <Form> (280)
Free Base

>  <CAS> (280)
586379-66-0

>  <URL> (280)
http://www.selleckchem.com/products/ph-797804.html

$$$$
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>  <Mol_ID> (281)
281

>  <Formula> (281)
C24H25ClFN5O2

>  <MolWeight> (281)
469.9390032

>  <Cat> (281)
S2727

>  <Name> (281)
Dacomitinib (PF299804, PF-00299804)

>  <Synonyms> (281)
N/A

>  <Target> (281)
EGFR

>  <Form> (281)
Free Base

>  <CAS> (281)
1110813-31-4

>  <URL> (281)
http://www.selleckchem.com/products/pf299804.html

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>  <Mol_ID> (282)
282

>  <Formula> (282)
C16H10ClN3O5

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S2729

>  <Name> (282)
SB 415286

>  <Synonyms> (282)
N/A

>  <Target> (282)
GSK-3

>  <Form> (282)
Free Base

>  <CAS> (282)
264218-23-7

>  <URL> (282)
http://www.selleckchem.com/products/sb-415286.html

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http://www.selleckchem.com/products/ink128.html

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CDK

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779353-01-4

>  <URL> (284)
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1010085-13-8

>  <URL> (285)
http://www.selleckchem.com/products/mk-5108-vx-689.html

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AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (287)
Tyrphostin AG-1478

>  <Target> (287)
EGFR

>  <Form> (287)
Free Base

>  <CAS> (287)
153436-53-4

>  <URL> (287)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
PF-04691502.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (288)
288

>  <Formula> (288)
C22H27N5O4

>  <MolWeight> (288)
425.48088

>  <Cat> (288)
S2743

>  <Name> (288)
PF-04691502

>  <Synonyms> (288)
N/A

>  <Target> (288)
mTOR, PI3K, Akt

>  <Form> (288)
Free Base

>  <CAS> (288)
1013101-36-4 

>  <URL> (288)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Benidipine hydrochloride.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (289)
289

>  <Formula> (289)
C28H32ClN3O6

>  <MolWeight> (289)
542.02318

>  <Cat> (289)
S2017

>  <Name> (289)
Benidipine hydrochloride

>  <Synonyms> (289)
N/A

>  <Target> (289)
calcium channel

>  <Form> (289)
Hydrochloride

>  <CAS> (289)
91599-74-5

>  <URL> (289)
http://www.selleckchem.com/products/benidipine-hydrochloride.html

$$$$
Lonidamine.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (290)
290

>  <Formula> (290)
C15H10Cl2N2O2

>  <MolWeight> (290)
321.1581

>  <Cat> (290)
S2610

>  <Name> (290)
Lonidamine

>  <Synonyms> (290)
N/A

>  <Target> (290)
Others

>  <Form> (290)
Free Base

>  <CAS> (290)
50264-69-2

>  <URL> (290)
http://www.selleckchem.com/products/lonidamine.html

$$$$
CP 673451.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (291)
291

>  <Formula> (291)
C24H27N5O2

>  <MolWeight> (291)
417.50348

>  <Cat> (291)
S1536

>  <Name> (291)
CP 673451

>  <Synonyms> (291)
CP673451 

>  <Target> (291)
Others

>  <Form> (291)
Free Base

>  <CAS> (291)
343787-29-1

>  <URL> (291)
http://www.selleckchem.com/products/CP-673451.html

$$$$
Acarbose.cdx
csChFnd80/01132110042D

 44 47  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (292)
292

>  <Formula> (292)
C25H43NO18

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S1271

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Acarbose

>  <Synonyms> (292)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (292)
Others

>  <Form> (292)
Free Base

>  <CAS> (292)
56180-94-0

>  <URL> (292)
http://www.selleckchem.com/products/Acarbose.html

$$$$
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csChFnd80/01132110042D

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>  <Mol_ID> (293)
293

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C14H22N2O

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S1357

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Lidocaine (Alphacaine)

>  <Synonyms> (293)
Alphacaine, Xylocaine, lignocaine

>  <Target> (293)
Histamine Receptor

>  <Form> (293)
Free Base

>  <CAS> (293)
137-58-6

>  <URL> (293)
http://www.selleckchem.com/products/Lidocaine.html

$$$$
PHA.cdx
csChFnd80/01132110042D

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294

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PHA-767491

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N/A 

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CDK

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Free Base

>  <CAS> (294)
845714-00-3

>  <URL> (294)
http://www.selleckchem.com/products/pha-767491.html

$$$$
TPCA-1.cdx
csChFnd80/01132110042D

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295

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C12H10FN3O2S

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TPCA-1

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N/A 

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IKK

>  <Form> (295)
Free Base

>  <CAS> (295)
507475-17-4

>  <URL> (295)
http://www.selleckchem.com/products/tpca-1.html

$$$$
AZD 6482.cdx
csChFnd80/01132110042D

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296

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C22H24N4O4

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S1462

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AZD6482

>  <Synonyms> (296)
N/A 

>  <Target> (296)
PI3K

>  <Form> (296)
Free Base

>  <CAS> (296)
1173900-33-8

>  <URL> (296)
http://www.selleckchem.com/products/azd6482.html

$$$$
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845272-21-1

>  <URL> (297)
http://www.selleckchem.com/products/arry334543.html

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GSK-3

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865854-05-3 

>  <URL> (298)
http://www.selleckchem.com/products/tideglusib.html

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>  <URL> (299)
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>  <URL> (300)
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313516-66-4

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c-Met, VEGFR

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928037-13-2

>  <URL> (303)
http://www.selleckchem.com/products/golvatinib-e7050.html

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211555-04-3

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http://www.selleckchem.com/products/whi-p154.html

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    4.8344    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095    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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  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  3  0  0  0  0
 13 15  3  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (310)
310

>  <Formula> (310)
C18H22N2O

>  <MolWeight> (310)
282.38008

>  <Cat> (310)
S2895

>  <Name> (310)
Tyrphostin 9 (SF 6847)

>  <Synonyms> (310)
Tyrphostin AG 17, Malonaben, NSC 242557, RG-50872

>  <Target> (310)
EGFR

>  <Form> (310)
Free Base

>  <CAS> (310)
10537-47-0

>  <URL> (310)
http://www.selleckchem.com/products/tyrphostin-9-sf-6847.html

$$$$
ZM323881 HCl.cdx
csChFnd80/01132110042D

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   15.4000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  4  5  2  0  0  0  0
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  1  6  2  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
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 12 17  1  0  0  0  0
 18 19  1  0  0  0  0
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  2 26  1  0  0  0  0
  4 27  1  0  0  0  0
  1 28  1  0  0  0  0
M  END
>  <Mol_ID> (311)
311

>  <Formula> (311)
C22H19ClFN3O2

>  <MolWeight> (311)
411.8565632

>  <Cat> (311)
S2896

>  <Name> (311)
ZM 323881 HCl

>  <Synonyms> (311)
N/A

>  <Target> (311)
VEGFR

>  <Form> (311)
Hydrochloride

>  <CAS> (311)
193000-39-4

>  <URL> (311)
http://www.selleckchem.com/products/zm-323881-hcl.html

$$$$
ZM306416.cdx
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  5 10  2  0  0  0  0
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  7 12  1  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
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 10 14  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <Mol_ID> (312)
312

>  <Formula> (312)
C16H13ClFN3O2

>  <MolWeight> (312)
333.7447232

>  <Cat> (312)
S2897

>  <Name> (312)
ZM 306416

>  <Synonyms> (312)
N/A

>  <Target> (312)
VEGFR

>  <Form> (312)
Free Base

>  <CAS> (312)
690206-97-4

>  <URL> (312)
http://www.selleckchem.com/products/zm-306416.html

$$$$
S-Ruxolitinib.cdx
csChFnd80/01132110042D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 14 10  2  0  0  0  0
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 22 23  3  0  0  0  0
M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C17H18N6

>  <MolWeight> (313)
306.36502

>  <Cat> (313)
S2902

>  <Name> (313)
S-Ruxolitinib

>  <Synonyms> (313)
N/A

>  <Target> (313)
JAK

>  <Form> (313)
Free Base

>  <CAS> (313)
941685-37-6

>  <URL> (313)
http://www.selleckchem.com/products/s-ruxolitinib.html

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/01132110042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 11 12  2  0  0  0  0
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 14  8  1  0  0  0  0
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 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (314)
314

>  <Formula> (314)
C19H21ClFNO3

>  <MolWeight> (314)
365.8263432

>  <Cat> (314)
S3005

>  <Name> (314)
Paroxetine HCl

>  <Synonyms> (314)
N/A

>  <Target> (314)
5-HT Receptor

>  <Form> (314)
Hydrochloride

>  <CAS> (314)
78246-49-8

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

$$$$
PF477736.cdx
csChFnd80/01132110042D

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1228960-69-7

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http://www.selleckchem.com/products/mln0905.html

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EGFR

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610798-31-7

>  <URL> (320)
http://www.selleckchem.com/products/icotinib.html

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303162-79-0

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http://www.selleckchem.com/products/tak-715.html

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 10  6  1  0  0  0  0
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M  END
>  <Mol_ID> (324)
324

>  <Formula> (324)
C20H22BrCl2N3O2S

>  <MolWeight> (324)
519.28258

>  <Cat> (324)
S1582

>  <Name> (324)
H 89 2HCl

>  <Synonyms> (324)
N/A

>  <Target> (324)
S6 Kinase

>  <Form> (324)
Dihydrochloride

>  <CAS> (324)
130964-39-5

>  <URL> (324)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

$$$$
Oxfendazole.cdx
csChFnd80/01132110042D

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   11.5175    4.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  2  1  0  0  0  0
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M  END
>  <Mol_ID> (325)
325

>  <Formula> (325)
C15H13N3O3S

>  <MolWeight> (325)
315.34702

>  <Cat> (325)
S1830

>  <Name> (325)
Oxfendazole

>  <Synonyms> (325)
N/A

>  <Target> (325)
Antifection

>  <Form> (325)
Free Base

>  <CAS> (325)
53716-50-0

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

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (326)
326

>  <Formula> (326)
C18H23Cl2NO

>  <MolWeight> (326)
340.28732

>  <Cat> (326)
S2499

>  <Name> (326)
Phenoxybenzamine HCl

>  <Synonyms> (326)
N/A

>  <Target> (326)
Androgen Receptor

>  <Form> (326)
HCl

>  <CAS> (326)
63-92-3

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

$$$$
Pazopanib.cdx
csChFnd80/01132110042D

 31 34  0  0  0  0  0  0  0  0999 V2000
   14.4663    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> (327)
327

>  <Formula> (327)
C21H23N7O2S

>  <MolWeight> (327)
437.51802

>  <Cat> (327)
S3012

>  <Name> (327)
Pazopanib

>  <Synonyms> (327)
N/A

>  <Target> (327)
VEGFR

>  <Form> (327)
Free Base

>  <CAS> (327)
444731-52-6

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

$$$$
BAY 11-7082.cdx
csChFnd80/01132110042D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (328)
328

>  <Formula> (328)
C10H9NO2S

>  <MolWeight> (328)
207.24896

>  <Cat> (328)
S2913

>  <Name> (328)
BAY 11-7082 (BAY 11-7821)

>  <Synonyms> (328)
N/A

>  <Target> (328)
I¦ÊB/IKK

>  <Form> (328)
Free Base

>  <CAS> (328)
19542-67-7

>  <URL> (328)
http://www.selleckchem.com/products/bay-11-7082-bay-11-7821.html

$$$$
GNF-2.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (329)
329

>  <Formula> (329)
C18H13F3N4O2

>  <MolWeight> (329)
374.3166296

>  <Cat> (329)
S2899

>  <Name> (329)
GNF-2

>  <Synonyms> (329)
N/A

>  <Target> (329)
Bcr-Abl

>  <Form> (329)
Free Base

>  <CAS> (329)
778270-11-4

>  <URL> (329)
http://www.selleckchem.com/products/gnf-2.html

$$$$
OSI-906.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (330)
330

>  <Formula> (330)
C26H23N5O

>  <MolWeight> (330)
421.49372

>  <Cat> (330)
S1091

>  <Name> (330)
OSI-906 (Linsitinib)

>  <Synonyms> (330)
N/A

>  <Target> (330)
IGF-1R

>  <Form> (330)
Free Base

>  <CAS> (330)
867160-71-2

>  <URL> (330)
http://www.selleckchem.com/products/OSI-906.html

$$$$
aicar.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (331)
331

>  <Formula> (331)
C9H14N4O5

>  <MolWeight> (331)
258.23126

>  <Cat> (331)
S1802

>  <Name> (331)
AICAR (Acadesine)

>  <Synonyms> (331)
AICAR, AICA-riboside

>  <Target> (331)
AMPK

>  <Form> (331)
Free Base

>  <CAS> (331)
2627-69-2

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

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (332)
332

>  <Formula> (332)
C32H30FN3O10

>  <MolWeight> (332)
635.5931032

>  <Cat> (332)
S4001

>  <Name> (332)
Cabozantinib malate

>  <Synonyms> (332)
N/A

>  <Target> (332)
VEGFR

>  <Form> (332)
Malate

>  <CAS> (332)
1140909-48-3

>  <URL> (332)
http://www.selleckchem.com/products/cabozantinib-malate.html

$$$$
PF-04708671.cdx
csChFnd80/01132110042D

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$$$$
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>  <Mol_ID> (336)
336

>  <Formula> (336)
C29H29N7O2

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S4901

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JNK-IN-8

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N/A

>  <Target> (336)
Free Base

>  <Form> (336)
Free Base

>  <CAS> (336)
1410880-22-6

>  <URL> (336)
http://www.selleckchem.com/products/jnk-in-8.html

$$$$
SC-514.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (337)
337

>  <Formula> (337)
C9H8N2OS2

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S4907

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SC-514 

>  <Synonyms> (337)
N/A

>  <Target> (337)
I¦ÊB/IKK

>  <Form> (337)
Free Base

>  <CAS> (337)
354812-17-2

>  <URL> (337)
http://www.selleckchem.com/products/sc-514.html

$$$$
Doxapram HCl.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C24H33ClN2O3

>  <MolWeight> (338)
432.98342

>  <Cat> (338)
S4037

>  <Name> (338)
Doxapram HCl

>  <Synonyms> (338)
N/A

>  <Target> (338)
Potassium Channel

>  <Form> (338)
HCl

>  <CAS> (338)
7081-53-0

>  <URL> (338)
http://www.selleckchem.com/products/doxapram-hcl.html

$$$$
MDBN.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (339)
339

>  <Formula> (339)
C9H7NO4

>  <MolWeight> (339)
193.15618

>  <Cat> (339)
S4921

>  <Name> (339)
MNS (3,4-Methylenedioxy-¦Â-nitrostyrene)

>  <Synonyms> (339)
N/A

>  <Target> (339)
Tyrosinase,p97,Syk,Src

>  <Form> (339)
Free Base

>  <CAS> (339)
1485-00-3

>  <URL> (339)
http://www.selleckchem.com/products/mdbn.html

$$$$
VX-745.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (340)
340

>  <Formula> (340)
C19H9Cl2F2N3OS

>  <MolWeight> (340)
436.2620664

>  <Cat> (340)
S1458

>  <Name> (340)
VX-745

>  <Synonyms> (340)
N/A

>  <Target> (340)
p38 MAPK 

>  <Form> (340)
Free Base

>  <CAS> (340)
209410-46-8

>  <URL> (340)
http://www.selleckchem.com/products/VX-745.html

$$$$
untitled.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (341)
341

>  <Formula> (341)
C13H16N6O4

>  <MolWeight> (341)
320.30394

>  <Cat> (341)
S1117

>  <Name> (341)
Triciribine

>  <Synonyms> (341)
N/A

>  <Target> (341)
Akt

>  <Form> (341)
Free Base

>  <CAS> (341)
35943-35-2

>  <URL> (341)
http://www.selleckchem.com/products/Triciribine.html

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/01132110042D

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   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (342)
342

>  <Formula> (342)
C15H12O7

>  <MolWeight> (342)
304.25158

>  <Cat> (342)
S2366

>  <Name> (342)
Taxifolin (Dihydroquercetin)

>  <Synonyms> (342)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (342)
VEGFR

>  <Form> (342)
Free Base

>  <CAS> (342)
480-18-2

>  <URL> (342)
http://www.selleckchem.com/products/Taxifolin(Dihydroquercetin).html

$$$$
Flufenamic acid.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (343)
343

>  <Formula> (343)
C14H10F3NO2

>  <MolWeight> (343)
281.2299096

>  <Cat> (343)
S4268

>  <Name> (343)
Flufenamic acid

>  <Synonyms> (343)
N/A

>  <Target> (343)
COX

>  <Form> (343)
Free Base

>  <CAS> (343)
530-78-9

>  <URL> (343)
http://www.selleckchem.com/products/flufenamic-acid.html

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/01132110042D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 30 15  1  0  0  0  0
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M  END
>  <Mol_ID> (344)
344

>  <Formula> (344)
C19H20F3IN2O5S

>  <MolWeight> (344)
572.3371796

>  <Cat> (344)
S1089

>  <Name> (344)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (344)
BAY 869766

>  <Target> (344)
MEK

>  <Form> (344)
Free Base

>  <CAS> (344)
923032-37-5

>  <URL> (344)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
Dicoumarol.cdx
csChFnd80/01132110042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (345)
345

>  <Formula> (345)
C19H12O6

>  <MolWeight> (345)
336.29498

>  <Cat> (345)
S4299

>  <Name> (345)
Dicoumarol

>  <Synonyms> (345)
Dicumarol

>  <Target> (345)
Others

>  <Form> (345)
Free Base

>  <CAS> (345)
66-76-2

>  <URL> (345)
http://www.selleckchem.com/products/dicoumarol.html

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (346)
346

>  <Formula> (346)
C24H25ClFN5O3

>  <MolWeight> (346)
485.9384032

>  <Cat> (346)
S1011

>  <Name> (346)
Afatinib (BIBW2992)

>  <Synonyms> (346)
N/A

>  <Target> (346)
EGFR

>  <Form> (346)
Free Base

>  <CAS> (346)
439081-18-2

>  <URL> (346)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C44H69NO12

>  <MolWeight> (347)
804.01816

>  <Cat> (347)
S5003

>  <Name> (347)
Tacrolimus (FK506)

>  <Synonyms> (347)
FR900506

>  <Target> (347)
mTOR

>  <Form> (347)
Free Base

>  <CAS> (347)
104987-11-3

>  <URL> (347)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
R-Ruxolitinib.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C17H18N6

>  <MolWeight> (348)
306.36502

>  <Cat> (348)
S1378

>  <Name> (348)
Ruxolitinib (INCB018424)

>  <Synonyms> (348)
N/A

>  <Target> (348)
JAK

>  <Form> (348)
Free Base

>  <CAS> (348)
941678-49-5

>  <URL> (348)
http://www.selleckchem.com/products/INCB18424.html

$$$$
Temsirolimus.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (349)
349

>  <Formula> (349)
C56H87NO16

>  <MolWeight> (349)
1030.28708

>  <Cat> (349)
S1044

>  <Name> (349)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (349)
N/A

>  <Target> (349)
mTOR

>  <Form> (349)
Free Base

>  <CAS> (349)
162635-04-3

>  <URL> (349)
http://www.selleckchem.com/products/Temsirolimus.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (350)
350

>  <Formula> (350)
C25H31N7O6

>  <MolWeight> (350)
525.55694

>  <Cat> (350)
S2018

>  <Name> (350)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (350)
N/A

>  <Target> (350)
FLT3

>  <Form> (350)
Free Base

>  <CAS> (350)
1291074-87-7

>  <URL> (350)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
PF-2341066.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (351)
351

>  <Formula> (351)
C21H22Cl2FN5O

>  <MolWeight> (351)
450.3366832

>  <Cat> (351)
S1068

>  <Name> (351)
Crizotinib (PF-02341066)

>  <Synonyms> (351)
N/A 

>  <Target> (351)
c-Met, ALK

>  <Form> (351)
Free Base

>  <CAS> (351)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (351)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
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csChFnd80/01132110042D

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M  END
>  <Mol_ID> (352)
352

>  <Formula> (352)
C27H27FN8O3

>  <MolWeight> (352)
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>  <Cat> (352)
S1056

>  <Name> (352)
AC480 (BMS-599626)

>  <Synonyms> (352)
N/A

>  <Target> (352)
HER2

>  <Form> (352)
Free Base

>  <CAS> (352)
714971-09-2

>  <URL> (352)
http://www.selleckchem.com/products/BMS-599626.html

$$$$
S1263.cdx
csChFnd80/01132110042D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (353)
353

>  <Formula> (353)
C22H18Cl2N8

>  <MolWeight> (353)
465.33792

>  <Cat> (353)
S1263

>  <Name> (353)
CHIR-99021 (CT99021)

>  <Synonyms> (353)
N/A

>  <Target> (353)
GSK-3

>  <Form> (353)
Free Base

>  <CAS> (353)
252917-06-9

>  <URL> (353)
http://www.selleckchem.com/products/CHIR-99021.html

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (354)
354

>  <Formula> (354)
C21H20ClNO5

>  <MolWeight> (354)
401.8402

>  <Cat> (354)
S1230

>  <Name> (354)
Flavopiridol (Alvocidib)

>  <Synonyms> (354)
NSC 649890 HCl,HMR-1275

>  <Target> (354)
CDK

>  <Form> (354)
Free Base

>  <CAS> (354)
146426-40-6

>  <URL> (354)
http://www.selleckchem.com/products/Flavopiridol.html

$$$$
6-Benzylaminopurine.cdx
csChFnd80/01132110042D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C12H11N5

>  <MolWeight> (355)
225.24924

>  <Cat> (355)
S4511

>  <Name> (355)
6-Benzylaminopurine

>  <Synonyms> (355)
N/A

>  <Target> (355)
Others

>  <Form> (355)
Free Base

>  <CAS> (355)
1214-39-7

>  <URL> (355)
http://www.selleckchem.com/products/6-benzylaminopurine.html

$$$$

csChFnd80/01132110042D

 20 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C6H13Li3O11

>  <MolWeight> (356)
281.98382

>  <Cat> (356)
S4519

>  <Name> (356)
Citric acid trilithium salt tetrahydrate

>  <Synonyms> (356)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (356)
Others

>  <Form> (356)
Free Base

>  <CAS> (356)
6080-58-6

>  <URL> (356)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

$$$$
Danthron.cdx
csChFnd80/01132110042D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    3.6380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (357)
357

>  <Formula> (357)
C14H8O4

>  <MolWeight> (357)
240.21092

>  <Cat> (357)
S4561

>  <Name> (357)
Danthron

>  <Synonyms> (357)
chrysazin, Antrapurol

>  <Target> (357)
Others

>  <Form> (357)
Free Base

>  <CAS> (357)
117-10-2

>  <URL> (357)
http://www.selleckchem.com/products/danthron.html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/01132110042D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.9705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.2729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3999    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
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (358)
358

>  <Formula> (358)
C14H23ClN2O

>  <MolWeight> (358)
270.79822

>  <Cat> (358)
S4667

>  <Name> (358)
Lidocaine hydrochloride

>  <Synonyms> (358)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (358)
Others

>  <Form> (358)
hydrochloride

>  <CAS> (358)
73-78-9

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

$$$$
S4711 Esculetin.cdx
csChFnd80/01132110042D

 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> (359)
359

>  <Formula> (359)
C9H6O4

>  <MolWeight> (359)
178.14154

>  <Cat> (359)
S4711

>  <Name> (359)
Esculetin

>  <Synonyms> (359)
Cichorigenin|Aesculetin

>  <Target> (359)
Others

>  <Form> (359)
Free Base

>  <CAS> (359)
305-01-1

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

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/01132110042D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1000    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8497    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
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C6H12O5

>  <MolWeight> (360)
164.15648

>  <Cat> (360)
S4701

>  <Name> (360)
2-Deoxy-D-glucose

>  <Synonyms> (360)
2-deoxyglucose, NSC 15193

>  <Target> (360)
Others

>  <Form> (360)
Free Base

>  <CAS> (360)
154-17-6

>  <URL> (360)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/01132110042D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6373    0.0000    0.0000 S   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
    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 N   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
    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
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 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
 10 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
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
>  <Mol_ID> (361)
361

>  <Formula> (361)
C21H26ClN3OS

>  <MolWeight> (361)
403.96864

>  <Cat> (361)
S4731

>  <Name> (361)
Perphenazine

>  <Synonyms> (361)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (361)
Dopamine Receptor

>  <Form> (361)
Free Base

>  <CAS> (361)
58-39-9

>  <URL> (361)
http://www.selleckchem.com/products/perphenazine.html

$$$$

csChFnd80/01132110042D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.2532    2.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284    3.5853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4607    3.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5179    2.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9428    1.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3105    1.2163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3746    0.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329    1.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454    2.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454    3.7675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9578    1.6675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1702    2.3675    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3826    1.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5950    2.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5952    3.7673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3827    4.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1703    3.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8076    4.4673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0201    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2325    4.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4449    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6574    4.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8698    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0358    5.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  6  7  1  0  0  0  0
  1  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  9 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 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
 19 20  1  0  0  0  0
 16 19  1  6  0  0  0
 13 12  1  1  0  0  0
  5 25  1  0  0  0  0
  3 26  1  0  0  0  0
M  END
>  <Mol_ID> (362)
362

>  <Formula> (362)
C20H30N4O2

>  <MolWeight> (362)
358.4778

>  <Cat> (362)
S1024

>  <Name> (362)
LTI-291

>  <Synonyms> (362)
N/A

>  <Target> (362)
Others

>  <Form> (362)
Free Base

>  <CAS> (362)
1919820-28-2

>  <URL> (362)
http://www.selleck.cn/products/lti-291.html

$$$$
S4736 Trapidil.cdx
csChFnd80/01132110042D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  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
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
  2 15  1  0  0  0  0
  4  3  1  0  0  0  0
  1  2  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (363)
363

>  <Formula> (363)
C10H15N5

>  <MolWeight> (363)
205.2596

>  <Cat> (363)
S4736

>  <Name> (363)
Trapidil

>  <Synonyms> (363)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (363)
PDGFR

>  <Form> (363)
Free Base

>  <CAS> (363)
15421-84-8

>  <URL> (363)
http://www.selleckchem.com/products/trapidil.html

$$$$
S4743 Wogonin.cdx
csChFnd80/01132110042D

 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
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M  END
>  <Mol_ID> (364)
364

>  <Formula> (364)
C16H12O5

>  <MolWeight> (364)
284.26348

>  <Cat> (364)
S4743

>  <Name> (364)
Wogonin

>  <Synonyms> (364)
Vogonin

>  <Target> (364)
CDK

>  <Form> (364)
Free Base

>  <CAS> (364)
632-85-9

>  <URL> (364)
http://www.selleckchem.com/products/wogonin.html

$$$$
NS-187.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (365)
365

>  <Formula> (365)
C30H31F3N8O

>  <MolWeight> (365)
576.6153496

>  <Cat> (365)
S1369

>  <Name> (365)
Bafetinib (INNO-406)

>  <Synonyms> (365)
NS-187

>  <Target> (365)
Abl,Lyn

>  <Form> (365)
Free Base

>  <CAS> (365)
859212-16-1

>  <URL> (365)
http://www.selleckchem.com/products/Bafetinib.html

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/01132110042D

 47 51  0  0  0  0  0  0  0  0999 V2000
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    0.0000   26.6837    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   19.6373    9.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8415    8.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4699    8.7814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.0311    9.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8481    6.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4266   11.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4958    7.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.2042    8.5883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 46  1  0  0  0  0
 46 47  1  0  0  0  0
M  END
>  <Mol_ID> (366)
366

>  <Formula> (366)
C37H42Cl2N2O6

>  <MolWeight> (366)
681.64518

>  <Cat> (366)
S3609

>  <Name> (366)
Berbamine (dihydrochloride)

>  <Synonyms> (366)
N/A

>  <Target> (366)
NF-¦ÊB,bcr/abl

>  <Form> (366)
dihydrochloride

>  <CAS> (366)
6078-17-7

>  <URL> (366)
http://www.selleckchem.com/products/berbamine-dihydrochloride.html

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/01132110042D

 26 27  0  0  0  0  0  0  0  0999 V2000
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   13.3366    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5501    2.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (367)
367

>  <Formula> (367)
C18H16O8

>  <MolWeight> (367)
360.31484

>  <Cat> (367)
S3612

>  <Name> (367)
Rosmarinic acid

>  <Synonyms> (367)
Rosemary acid

>  <Target> (367)
IKK ¦Â

>  <Form> (367)
free base

>  <CAS> (367)
20283-92-5

>  <URL> (367)
http://www.selleckchem.com/products/rosmarinic-acid.html

$$$$
S3606 Fangchinoline.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C37H40N2O6

>  <MolWeight> (368)
608.7233

>  <Cat> (368)
S3606

>  <Name> (368)
Fangchinoline

>  <Synonyms> (368)
N/A

>  <Target> (368)
HIV-1

>  <Form> (368)
free base

>  <CAS> (368)
33889-68-8

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

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/01132110042D

  7  6  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C4H7NO2

>  <MolWeight> (369)
101.10388

>  <Cat> (369)
S3699

>  <Name> (369)
2,3-Butanedione-2-monoxime

>  <Synonyms> (369)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (369)
skeletal muscle myosin-II

>  <Form> (369)
free base

>  <CAS> (369)
57-71-6

>  <URL> (369)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (370)
370

>  <Formula> (370)
C48H78O19

>  <MolWeight> (370)
959.12152

>  <Cat> (370)
S3616

>  <Name> (370)
Asiaticoside

>  <Synonyms> (370)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (370)
Others

>  <Form> (370)
free base

>  <CAS> (370)
16830-15-2

>  <URL> (370)
http://www.selleckchem.com/products/asiaticoside.html

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/01132110042D

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   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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  1  7  1  0  0  0  0
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 26 15  1  0  0  0  0
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 31 35  1  0  0  0  0
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 23 46  1  6  0  0  0
 18 47  1  0  0  0  0
M  END
>  <Mol_ID> (371)
371

>  <Formula> (371)
C37H40N2O6

>  <MolWeight> (371)
608.7233

>  <Cat> (371)
S3611

>  <Name> (371)
(+)-Fangchinoline

>  <Synonyms> (371)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (371)
Others

>  <Form> (371)
free base

>  <CAS> (371)
436-77-1

>  <URL> (371)
http://www.selleckchem.com/products/s-s-fangchinoline.html

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/01132110042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    0.9160    4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    4.6475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.3505    1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533    7.3991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  6  0  0  0
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  3  4  1  1  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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  6 13  1  0  0  0  0
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  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  5 14  2  0  0  0  0
  8 15  2  0  0  0  0
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  9 19  1  6  0  0  0
M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C15H18O2

>  <MolWeight> (372)
230.30222

>  <Cat> (372)
S3615

>  <Name> (372)
Dehydrocostus Lactone

>  <Synonyms> (372)
N/A

>  <Target> (372)
 IKK¦Â

>  <Form> (372)
free base

>  <CAS> (372)
477-43-0

>  <URL> (372)
http://www.selleckchem.com/products/dehydrocostus-lactone.html

$$$$
S3610 Cordycepin.cdx
csChFnd80/01132110042D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.8869    5.3861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4576    4.0535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0612    6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
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  8 13  1  0  0  0  0
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 10 15  2  0  0  0  0
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 11 15  1  0  0  0  0
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 12 13  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C10H13N5O3

>  <MolWeight> (373)
251.24192

>  <Cat> (373)
S3610

>  <Name> (373)
Cordycepin

>  <Synonyms> (373)
N/A

>  <Target> (373)
Others

>  <Form> (373)
free base

>  <CAS> (373)
73-03-0

>  <URL> (373)
http://www.selleckchem.com/products/cordycepin.html

$$$$
S3626 Sesamol.cdx
csChFnd80/01132110042D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6251    0.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    2.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9535    0.2497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7843    1.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8126    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  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (374)
374

>  <Formula> (374)
C7H6O3

>  <MolWeight> (374)
138.12074

>  <Cat> (374)
S3626

>  <Name> (374)
Sesamol

>  <Synonyms> (374)
1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol

>  <Target> (374)
Others

>  <Form> (374)
free base

>  <CAS> (374)
533-31-3

>  <URL> (374)
http://www.selleckchem.com/products/sesamol.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/01132110042D

 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
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    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
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  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> (375)
375

>  <Formula> (375)
C11H8O3

>  <MolWeight> (375)
188.17942

>  <Cat> (375)
S3661

>  <Name> (375)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (375)
N/A

>  <Target> (375)
PKC

>  <Form> (375)
free base

>  <CAS> (375)
2348-82-5

>  <URL> (375)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3648 Amlexanox.cdx
csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    4.8704    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7423    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9513    2.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2065    4.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C16H14N2O4

>  <MolWeight> (376)
298.29336

>  <Cat> (376)
S3648

>  <Name> (376)
Amlexanox

>  <Synonyms> (376)
AA-673, CHX-3673

>  <Target> (376)
TBK1,IKK-¦Å

>  <Form> (376)
free base

>  <CAS> (376)
68302-57-8

>  <URL> (376)
http://www.selleckchem.com/products/amlexanox.html

$$$$
S3666 Ilaprazole.cdx
csChFnd80/01132110042D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.8497    1.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492    3.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    1.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1813    1.2906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1806    3.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6366    3.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4248    1.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0038    2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243    3.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4038    2.4240    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   10.1042    1.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1034    3.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2038    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2046    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6038    2.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5034    3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6046    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042    1.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3034    3.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7034    3.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2159    3.8193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0691    5.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6996    5.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9371    3.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  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
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (377)
377

>  <Formula> (377)
C19H18N4O2S

>  <MolWeight> (377)
366.43682

>  <Cat> (377)
S3666

>  <Name> (377)
Ilaprazole

>  <Synonyms> (377)
IY-81149

>  <Target> (377)
Proton pump,TOPK 

>  <Form> (377)
free base

>  <CAS> (377)
172152-36-2

>  <URL> (377)
http://www.selleckchem.com/products/ilaprazole.html

$$$$
S3939 4'-Methoxyresveratrol.cdx
csChFnd80/01132110042D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.2831    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    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  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
  9 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  9  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (378)
378

>  <Formula> (378)
C15H14O3

>  <MolWeight> (378)
242.26986

>  <Cat> (378)
S3939

>  <Name> (378)
4'-Methoxyresveratrol

>  <Synonyms> (378)
N/A

>  <Target> (378)
Others

>  <Form> (378)
free base

>  <CAS> (378)
33626-08-3

>  <URL> (378)
http://www.selleckchem.com/products/4-methoxyresveratrol.html

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/01132110042D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.6900    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    7.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0527    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    2.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    2.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    0.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    4.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1149    7.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    8.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (379)
379

>  <Formula> (379)
C16H16O4

>  <MolWeight> (379)
272.29584

>  <Cat> (379)
S3940

>  <Name> (379)
3'-Hydroxypterostilbene

>  <Synonyms> (379)
3'-HPT

>  <Target> (379)
Others

>  <Form> (379)
free base

>  <CAS> (379)
475231-21-1

>  <URL> (379)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/01132110042D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5458    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    2.1429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1209    2.8429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9085    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173    4.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9749    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2155    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9804    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7583    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4280    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  4  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (380)
380

>  <Formula> (380)
C18H22O4

>  <MolWeight> (380)
302.36488

>  <Cat> (380)
S3984

>  <Name> (380)
Nordihydroguaiaretic acid

>  <Synonyms> (380)
N/A

>  <Target> (380)
lipoxygenase

>  <Form> (380)
free base

>  <CAS> (380)
500-38-9

>  <URL> (380)
http://www.selleckchem.com/products/nordihydroguaiaretic-acid.html

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/01132110042D

 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> (381)
381

>  <Formula> (381)
C6H13NO4

>  <MolWeight> (381)
163.17172

>  <Cat> (381)
S3839

>  <Name> (381)
1-Deoxynojirimycin

>  <Synonyms> (381)
duvoglustat, moranolin

>  <Target> (381)
¦Á-glucosidase

>  <Form> (381)
free base

>  <CAS> (381)
19130-96-2

>  <URL> (381)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/01132110042D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.2770    2.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8858    3.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9751    4.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1192    1.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8043    4.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433    5.0390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3108    4.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5318    1.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6181    5.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    3.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    3.0422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917    5.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    4.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    5.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7130    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  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
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
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 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (382)
382

>  <Formula> (382)
C13H13ClN2O

>  <MolWeight> (382)
248.70812

>  <Cat> (382)
S3817

>  <Name> (382)
Harmine hydrochloride

>  <Synonyms> (382)
telepathine hydrochloride

>  <Target> (382)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (382)
hydrochloride

>  <CAS> (382)
343-27-1

>  <URL> (382)
http://www.selleckchem.com/products/harmine-hydrochloride.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/01132110042D

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 14  8  1  0  0  0  0
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 16  7  2  0  0  0  0
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 18  3  2  0  0  0  0
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 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
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 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C19H20O5

>  <MolWeight> (383)
328.3591

>  <Cat> (383)
S3819

>  <Name> (383)
Decursinol angelate

>  <Synonyms> (383)
N/A

>  <Target> (383)
PKC

>  <Form> (383)
free base

>  <CAS> (383)
130848-06-5

>  <URL> (383)
http://www.selleckchem.com/products/decursinol-angelate.html

$$$$
S3824 Quercitrin.cdx
csChFnd80/01132110042D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (384)
384

>  <Formula> (384)
C21H20O11

>  <MolWeight> (384)
448.3769

>  <Cat> (384)
S3824

>  <Name> (384)
Quercitrin

>  <Synonyms> (384)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (384)
Others

>  <Form> (384)
free base

>  <CAS> (384)
522-12-3

>  <URL> (384)
http://www.selleckchem.com/products/quercitrin.html

$$$$
S3836 6-Gingerol.cdx
csChFnd80/01132110042D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (385)
385

>  <Formula> (385)
C17H26O4

>  <MolWeight> (385)
294.38594

>  <Cat> (385)
S3836

>  <Name> (385)
6-Gingerol

>  <Synonyms> (385)
CI-1011

>  <Target> (385)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (385)
free base

>  <CAS> (385)
23513-14-6

>  <URL> (385)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/01132110042D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0606    5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19  6  2  0  0  0  0
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 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (386)
386

>  <Formula> (386)
C19H17NaO6S

>  <MolWeight> (386)
396.38945

>  <Cat> (386)
S3766

>  <Name> (386)
Tanshinone IIA sulfonate (sodium)

>  <Synonyms> (386)
N/A

>  <Target> (386)
CYP3A4

>  <Form> (386)
sodium salt

>  <CAS> (386)
69659-80-9

>  <URL> (386)
http://www.selleckchem.com/products/tanshinone-iia-sulfonate-sodium.html

$$$$
S3759 Norcantharidin.cdx
csChFnd80/01132110042D

 12 14  0  0  0  0  0  0  0  0999 V2000
    0.2182    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5609    1.7635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (387)
387

>  <Formula> (387)
C8H8O4

>  <MolWeight> (387)
168.14672

>  <Cat> (387)
S3759

>  <Name> (387)
Norcantharidin

>  <Synonyms> (387)
Endothall anhydride

>  <Target> (387)
c-Met,EGFR

>  <Form> (387)
free base

>  <CAS> (387)
29745-04-8

>  <URL> (387)
http://www.selleckchem.com/products/norcantharidin.html

$$$$
S3783 Echinacoside.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (388)
388

>  <Formula> (388)
C35H46O20

>  <MolWeight> (388)
786.72774

>  <Cat> (388)
S3783

>  <Name> (388)
Echinacoside

>  <Synonyms> (388)
N/A

>  <Target> (388)
Others

>  <Form> (388)
free base

>  <CAS> (388)
82854-37-3

>  <URL> (388)
http://www.selleckchem.com/products/echinacoside.html

$$$$
S3784 Obacunone.cdx
csChFnd80/01132110042D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (389)
389

>  <Formula> (389)
C26H30O7

>  <MolWeight> (389)
454.5122

>  <Cat> (389)
S3784

>  <Name> (389)
Obacunone

>  <Synonyms> (389)
N/A

>  <Target> (389)
Nrf2,Aromatase

>  <Form> (389)
free base

>  <CAS> (389)
751-03-1

>  <URL> (389)
http://www.selleckchem.com/products/obacunone.html

$$$$
S3786 Glabridin.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (390)
390

>  <Formula> (390)
C20H20O4

>  <MolWeight> (390)
324.3704

>  <Cat> (390)
S3786

>  <Name> (390)
Glabridin

>  <Synonyms> (390)
Q-100692, KB-289522, LS-176045

>  <Target> (390)
PPAR¦Ã,¦Á1¦Â2¦Ã2,¦Á1¦Â3¦Ã2,¦Á1¦Â2,¦Á1¦Â1¦Ã2

>  <Form> (390)
free base

>  <CAS> (390)
59870-68-7

>  <URL> (390)
http://www.selleckchem.com/products/glabridin.html

$$$$
S3918 4',7-Dimethoxy-5-Hydroxyflavone.cdx
csChFnd80/01132110042D

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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (391)
391

>  <Formula> (391)
C17H14O5

>  <MolWeight> (391)
298.29006

>  <Cat> (391)
S3918

>  <Name> (391)
4',7-Dimethoxy-5-Hydroxyflavone

>  <Synonyms> (391)
apigenin dimethylether; apigenin 7,4'-dimethyl ether; genkwanin 4'-methyl ether

>  <Target> (391)
Others

>  <Form> (391)
free base

>  <CAS> (391)
5128-44-9

>  <URL> (391)
http://www.selleckchem.com/products/4-7-dimethoxy-5-hydroxyflavone.html

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/01132110042D

 72 78  0  0  0  0  0  0  0  0999 V2000
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    4.8528    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (392)
392

>  <Formula> (392)
C48H82O18

>  <MolWeight> (392)
947.15388

>  <Cat> (392)
S3811

>  <Name> (392)
Ginsenoside Re

>  <Synonyms> (392)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (392)
Others

>  <Form> (392)
free base

>  <CAS> (392)
52286-59-6

>  <URL> (392)
http://www.selleckchem.com/products/ginsenoside-re.html

$$$$
S3881 Scopoletin.cdx
csChFnd80/01132110042D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.8567    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    0.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    2.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (393)
393

>  <Formula> (393)
C10H8O4

>  <MolWeight> (393)
192.16812

>  <Cat> (393)
S3881

>  <Name> (393)
Scopoletin

>  <Synonyms> (393)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (393)
Immunology & Inflammation related

>  <Form> (393)
free base

>  <CAS> (393)
92-61-5

>  <URL> (393)
http://www.selleckchem.com/products/scopoletin.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/01132110042D

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   16.1841   15.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1448   15.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8692   13.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 49 54  1  6  0  0  0
 29 58  1  6  0  0  0
M  END
>  <Mol_ID> (394)
394

>  <Formula> (394)
C41H68O14

>  <MolWeight> (394)
784.97022

>  <Cat> (394)
S3901

>  <Name> (394)
Astragaloside IV

>  <Synonyms> (394)
AST-IV, AS-IV

>  <Target> (394)
Others

>  <Form> (394)
free base

>  <CAS> (394)
84687-43-4

>  <URL> (394)
http://www.selleckchem.com/products/sastragaloside-iv.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/01132110042D

 32 37  0  0  0  0  0  0  0  0999 V2000
    6.0576    3.5342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2155    4.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    3.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168    5.6360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6325    4.9289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6263    3.5288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8359    2.8234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0574    4.9185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2654    5.6136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2162    1.4191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7242    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7242    3.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    7.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199    6.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8357    2.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7849    4.6107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6306    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  4  2  1  0  0  0  0
  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
 11 12  1  0  0  0  0
 12 26  1  6  0  0  0
 12 13  1  0  0  0  0
 13 24  2  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  1  0  0  0
 16 17  1  0  0  0  0
 16 27  1  6  0  0  0
 17 29  1  6  0  0  0
 18 19  1  0  0  0  0
 18 28  2  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (395)
395

>  <Formula> (395)
C20H24O11

>  <MolWeight> (395)
440.39796

>  <Cat> (395)
S3781

>  <Name> (395)
Ginkgolide C

>  <Synonyms> (395)
BN-52022

>  <Target> (395)
Others

>  <Form> (395)
free base

>  <CAS> (395)
15291-76-6

>  <URL> (395)
http://www.selleckchem.com/products/ginkgolide-c.html

$$$$
S3799 Gentisic acid.cdx
csChFnd80/01132110042D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (396)
396

>  <Formula> (396)
C7H6O4

>  <MolWeight> (396)
154.12014

>  <Cat> (396)
S3799

>  <Name> (396)
Gentisic acid

>  <Synonyms> (396)
 DHB; 2,5-dihydroxybenzoic acid; 5-Hydroxysalicylic acid; Gentianic acid; Carboxyhydroquinone

>  <Target> (396)
Immunology & Inflammation related

>  <Form> (396)
free base

>  <CAS> (396)
490-79-9

>  <URL> (396)
http://www.selleckchem.com/products/gentisic-acid.html

$$$$
S3926 Forsythin.cdx
csChFnd80/01132110042D

 40 44  0  0  0  0  0  0  0  0999 V2000
    8.2797    4.3286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3422    5.3682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5584    4.8989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5807    3.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    4.7978    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0413    6.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7713    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4109    6.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2111    3.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    5.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9832    4.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389    4.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9853    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1962    4.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    7.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    5.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1971    2.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8350    2.1046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   18.0470    2.8055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   16.8317    6.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2600    2.1065    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
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  1  4  1  0  0  0  0
  1 37  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 38  1  6  0  0  0
  3  7  1  6  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  1  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 22  1  6  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  1  0  0  0
 29 32  1  0  0  0  0
 29 33  1  6  0  0  0
 30 34  1  6  0  0  0
 30 32  1  0  0  0  0
 32 35  1  1  0  0  0
 33 36  1  0  0  0  0
 15 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (397)
397

>  <Formula> (397)
C27H34O11

>  <MolWeight> (397)
534.55226

>  <Cat> (397)
S3926

>  <Name> (397)
Forsythin

>  <Synonyms> (397)
Phillyrin

>  <Target> (397)
Others

>  <Form> (397)
free base

>  <CAS> (397)
487-41-2

>  <URL> (397)
http://www.selleckchem.com/products/forsythin.html

$$$$
LY2109761.cdx
csChFnd80/01132110042D

 33 38  0  0  0  0  0  0  0  0999 V2000
    4.1777    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1777    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6026    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9652    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7528    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7528    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9652    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8108    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0190    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2272    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4355    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4355    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Free Base

>  <CAS> (398)
700874-71-1 

>  <URL> (398)
http://www.selleckchem.com/products/ly2109761.html

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N/A

>  <Target> (399)
c-Met 

>  <Form> (399)
Free Base

>  <CAS> (399)
1029712-80-8

>  <URL> (399)
http://www.selleckchem.com/products/incb28060.html

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400

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>  <Synonyms> (400)
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>  <Target> (400)
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>  <Form> (400)
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>  <CAS> (400)
396129-53-6

>  <URL> (400)
http://www.selleckchem.com/products/ly364947.html

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mTOR

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1222998-36-8

>  <URL> (401)
http://www.selleckchem.com/products/torin-1.html

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42521-82-4

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194423-15-9

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403811-55-2

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https://www.selleckchem.com/products/10058-f4.html

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>  <Mol_ID> (412)
412

>  <Formula> (412)
C28H36F2N8O3S

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602.6990464

>  <Cat> (412)
S7158

>  <Name> (412)
abemaciclib (LY2835219)

>  <Synonyms> (412)
N/A

>  <Target> (412)
CDK

>  <Form> (412)
Mesylate

>  <CAS> (412)
1231930-82-7

>  <URL> (412)
http://www.selleckchem.com/products/ly2835219.html

$$$$
NU6027.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (413)
413

>  <Formula> (413)
C11H17N5O2

>  <MolWeight> (413)
251.28498

>  <Cat> (413)
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>  <Name> (413)
NU6027

>  <Synonyms> (413)
N/A

>  <Target> (413)
CDK

>  <Form> (413)
Free Base

>  <CAS> (413)
220036-08-8

>  <URL> (413)
http://www.selleckchem.com/products/nu6027.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (414)
414

>  <Formula> (414)
C18H32ClN3O8P2

>  <MolWeight> (414)
515.862502

>  <Cat> (414)
S4157

>  <Name> (414)
Chloroquine Phosphate

>  <Synonyms> (414)
N/A

>  <Target> (414)
Others

>  <Form> (414)
Diphosphate

>  <CAS> (414)
50-63-5

>  <URL> (414)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
CNX-2006.cdx
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>  <Mol_ID> (415)
415

>  <Formula> (415)
C26H27F4N7O2

>  <MolWeight> (415)
545.5318928

>  <Cat> (415)
S7206

>  <Name> (415)
CNX-2006

>  <Synonyms> (415)
N/A

>  <Target> (415)
EGFR

>  <Form> (415)
Free Base

>  <CAS> (415)
1375465-09-0

>  <URL> (415)
http://www.selleckchem.com/products/cnx-2006.html

$$$$
GZD824.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (416)
416

>  <Formula> (416)
C31H35F3N6O7S2

>  <MolWeight> (416)
724.7708096

>  <Cat> (416)
S7194

>  <Name> (416)
GZD824 Dimesylate 

>  <Synonyms> (416)
N/A

>  <Target> (416)
Bcr-Abl

>  <Form> (416)
Mesylate

>  <CAS> (416)
1421783-64-3

>  <URL> (416)
http://www.selleckchem.com/products/gzd824.html

$$$$
RKI-1447.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (417)
417

>  <Formula> (417)
C16H14N4O2S

>  <MolWeight> (417)
326.37296

>  <Cat> (417)
S7195

>  <Name> (417)
RKI-1447

>  <Synonyms> (417)
N/A

>  <Target> (417)
ROCK

>  <Form> (417)
Free Base

>  <CAS> (417)
1342278-01-6

>  <URL> (417)
http://www.selleckchem.com/products/rki-1447.html

$$$$
untitled.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (418)
418

>  <Formula> (418)
C24H25ClN6O

>  <MolWeight> (418)
448.9479

>  <Cat> (418)
S7106

>  <Name> (418)
AZD3463

>  <Synonyms> (418)
N/A

>  <Target> (418)
ALK

>  <Form> (418)
Free Base

>  <CAS> (418)
1356962-20-3

>  <URL> (418)
http://www.selleckchem.com/products/azd3463.html

$$$$
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   16.6099   16.2647    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1765   16.3122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9828   14.1381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6078    1.3892    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8679    1.4722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2307   16.8945    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.1717    4.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6078    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4761   16.2329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2399   18.2652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1717    1.2648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6380   16.8821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.4418   18.9717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.0372   18.9310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6209   18.2882    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.8085   16.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4658   20.3715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7919   18.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0190   16.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 25  1  1  0  0  0
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 29 32  1  0  0  0  0
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M  END
>  <Mol_ID> (419)
419

>  <Formula> (419)
C54H92O23

>  <MolWeight> (419)
1109.29448

>  <Cat> (419)
S3924

>  <Name> (419)
Ginsenoside Rb1

>  <Synonyms> (419)
Gypenoside ¢ó

>  <Target> (419)
Others

>  <Form> (419)
free base

>  <CAS> (419)
41753-43-9

>  <URL> (419)
http://www.selleckchem.com/products/ginsenoside-rb1.html

$$$$
S3868 Harmine.cdx
csChFnd80/01132110042D

 16 18  0  0  0  0  0  0  0  0999 V2000
    6.3186    2.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9463    2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0313    1.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0112    3.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8022    0.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8238    2.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0983    0.1451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4312    1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4198    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5527    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5494    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1355    2.4085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4087    0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1357    0.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (420)
420

>  <Formula> (420)
C13H12N2O

>  <MolWeight> (420)
212.24718

>  <Cat> (420)
S3868

>  <Name> (420)
Harmine

>  <Synonyms> (420)
telepathine

>  <Target> (420)
PPAR¦Ã,MAO-A

>  <Form> (420)
free base

>  <CAS> (420)
442-51-3

>  <URL> (420)
http://www.selleckchem.com/products/harmine.html

$$$$
S3980 Pyridoxine.cdx
csChFnd80/01132110042D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6436    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0317    2.7911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    4.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6074    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0505    0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (421)
421

>  <Formula> (421)
C8H11NO3

>  <MolWeight> (421)
169.17784

>  <Cat> (421)
S3980

>  <Name> (421)
Pyridoxine

>  <Synonyms> (421)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (421)
Others

>  <Form> (421)
free base

>  <CAS> (421)
65-23-6

>  <URL> (421)
http://www.selleckchem.com/products/pyridoxine.html

$$$$
S4990 TBHQ.cdx
csChFnd80/01132110042D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8386    1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261    1.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5424    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510    0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1423    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    3.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    1.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    3.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8208    3.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    3.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (422)
422

>  <Formula> (422)
C10H14O2

>  <MolWeight> (422)
166.21696

>  <Cat> (422)
S4990

>  <Name> (422)
TBHQ

>  <Synonyms> (422)
Tert-butylhydroquinone

>  <Target> (422)
Nrf2

>  <Form> (422)
free base

>  <CAS> (422)
1948-33-0

>  <URL> (422)
http://selleckchem.com/products/tbhq.html

$$$$
S4953 Usnic acid.cdx
csChFnd80/01132110042D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0222    2.1098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6216    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6633    0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6216    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218    4.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4264    2.1163    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2721    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6445    1.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    3.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    5.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6395    4.1825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6445    0.0130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    6.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    6.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6  8  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 15  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 17  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  2  0  0  0  0
M  END
>  <Mol_ID> (423)
423

>  <Formula> (423)
C18H16O7

>  <MolWeight> (423)
344.31544

>  <Cat> (423)
S4953

>  <Name> (423)
Usnic acid

>  <Synonyms> (423)
Usniacin

>  <Target> (423)
Others

>  <Form> (423)
free base

>  <CAS> (423)
125-46-2

>  <URL> (423)
http://selleckchem.com/products/usnic-acid.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/01132110042D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.8389    5.3842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1564    4.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1771    3.9947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3358    3.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2701    1.2361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0636    5.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (424)
424

>  <Formula> (424)
C32H40O8

>  <MolWeight> (424)
552.6552

>  <Cat> (424)
S3832

>  <Name> (424)
Euphorbiasteroid

>  <Synonyms> (424)
Euphorbia factor L1

>  <Target> (424)
Others

>  <Form> (424)
free base

>  <CAS> (424)
28649-59-4

>  <URL> (424)
http://selleckchem.com/products/euphorbiasteroid.html

$$$$
S4861 Oxindole.cdx
csChFnd80/01132110042D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4520    2.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    0.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0015    1.3910    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  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (425)
425

>  <Formula> (425)
C8H7NO

>  <MolWeight> (425)
133.14728

>  <Cat> (425)
S4861

>  <Name> (425)
Oxindole

>  <Synonyms> (425)
2-indolone, 2-Oxindole, Indolin-2-one

>  <Target> (425)
Others

>  <Form> (425)
free base

>  <CAS> (425)
59-48-3

>  <URL> (425)
http://selleckchem.com/products/oxindole.html

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/01132110042D

 16 17  0  0  0  0  0  0  0  0999 V2000
    8.6046    2.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4268    1.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0609    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2729    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    4.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
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 10 11  1  0  0  0  0
 13 15  1  0  0  0  0
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  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (426)
426

>  <Formula> (426)
C10H13N5O

>  <MolWeight> (426)
219.24312

>  <Cat> (426)
S4884

>  <Name> (426)
Trans-Zeatin

>  <Synonyms> (426)
(E)-Zeatin

>  <Target> (426)
Others

>  <CAS> (426)
1637-39-4

>  <URL> (426)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4959 Skatole.cdx
csChFnd80/01132110042D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4298    2.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7628    2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7043    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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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (427)
427

>  <Formula> (427)
C9H9N

>  <MolWeight> (427)
131.17446

>  <Cat> (427)
S4959

>  <Name> (427)
Skatole

>  <Synonyms> (427)
3-methylindole, Scatole

>  <Target> (427)
Anti-infection

>  <CAS> (427)
83-34-1

>  <URL> (427)
http://selleckchem.com/products/skatole.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/01132110042D

 68 74  0  0  0  0  0  0  0  0999 V2000
    6.9238    8.9622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.5239    8.9905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.1525   18.1717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (428)
428

>  <Formula> (428)
C47H80O18

>  <MolWeight> (428)
933.1273

>  <Cat> (428)
S3785

>  <Name> (428)
Notoginsenoside R1

>  <Synonyms> (428)
Sanchinoside R1

>  <Target> (428)
Others

>  <Form> (428)
free base

>  <CAS> (428)
80418-24-2

>  <URL> (428)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
GW 5074.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (429)
429

>  <Formula> (429)
C15H8Br2INO2

>  <MolWeight> (429)
520.94199

>  <Cat> (429)
S2872

>  <Name> (429)
GW5074

>  <Synonyms> (429)
N/A

>  <Target> (429)
Raf

>  <Form> (429)
free base

>  <CAS> (429)
220904-83-6

>  <URL> (429)
http://selleckchem.com/products/gw5074.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (430)
430

>  <Formula> (430)
C29H36O15

>  <MolWeight> (430)
624.58714

>  <Cat> (430)
S2323

>  <Name> (430)
Methyl-Hesperidin

>  <Form> (430)
free base

>  <CAS> (430)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/01132110042D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (431)
431

>  <Formula> (431)
C19H19ClN6O4S3

>  <MolWeight> (431)
527.03996

>  <Cat> (431)
S1154

>  <Name> (431)
SNS-314 Mesylate

>  <Synonyms> (431)
N/A

>  <Target> (431)
Aurora Kinase

>  <Form> (431)
Mesylate

>  <CAS> (431)
1146618-41-8

>  <URL> (431)
http://www.selleckchem.com/products/SNS-314.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/01132110042D

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   15.7749    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4211    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 15  1  1  0  0  0
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 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  6  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  1  0  0  0
 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 28 31  1  6  0  0  0
 29 32  1  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (432)
432

>  <Formula> (432)
C21H18O12

>  <MolWeight> (432)
462.36042

>  <Cat> (432)
S3810

>  <Name> (432)
Scutellarin

>  <Synonyms> (432)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (432)
Others

>  <Form> (432)
free base

>  <CAS> (432)
27740-01-8

>  <URL> (432)
http://www.selleckchem.com/products/scutellarin.html

$$$$
untitled.cdx
csChFnd80/01132110042D

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   10.8909    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1033    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  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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  2 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
 20 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
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M  END
>  <Mol_ID> (433)
433

>  <Formula> (433)
C24H25ClFN5O3

>  <MolWeight> (433)
485.9384032

>  <Cat> (433)
S1019

>  <Name> (433)
CI-1033 (Canertinib)

>  <Synonyms> (433)
PD-183805 

>  <Target> (433)
EGFR, HER2

>  <Form> (433)
Free Base

>  <CAS> (433)
267243-28-7

>  <URL> (433)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
csChFnd80/01132110042D

 41 45  0  0  0  0  0  0  0  0999 V2000
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   12.1033    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8867    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.2000    0.0000 N   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
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  1  2  2  0  0  0  0
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 10  6  1  0  0  0  0
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 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
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 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
  2 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
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 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 36  1  0  0  0  0
M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C31H42N6O4

>  <MolWeight> (434)
562.70298

>  <Cat> (434)
S1043

>  <Name> (434)
Tandutinib (MLN518)

>  <Synonyms> (434)
CT53518

>  <Target> (434)
Flt

>  <Form> (434)
Free Base

>  <CAS> (434)
387867-13-2

>  <URL> (434)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

$$$$
untitled.cdx
csChFnd80/01132110042D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   13.3157    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 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 15  1  0  0  0  0
 18 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 24 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (435)
435

>  <Formula> (435)
C22H24BrFN4O2

>  <MolWeight> (435)
475.3539632

>  <Cat> (435)
S1046

>  <Name> (435)
Vandetanib (ZD6474)

>  <Synonyms> (435)
N/A

>  <Target> (435)
VEGFR

>  <Form> (435)
Free Base

>  <CAS> (435)
443913-73-3

>  <URL> (435)
http://www.selleckchem.com/products/Vandetanib.html

$$$$
untitled.cdx
csChFnd80/01132110042D

 27 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (436)
436

>  <Formula> (436)
C21H46NO4P

>  <MolWeight> (436)
407.568001

>  <Cat> (436)
S3056

>  <Name> (436)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (436)
N/A

>  <Target> (436)
Akt

>  <Form> (436)
Free Base

>  <CAS> (436)
58066-85-6

>  <URL> (436)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
csChFnd80/01132110042D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
 14  7  1  0  0  0  0
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M  END
>  <Mol_ID> (437)
437

>  <Formula> (437)
C17H15NO3

>  <MolWeight> (437)
281.3059

>  <Cat> (437)
S2893

>  <Name> (437)
NU7026

>  <Synonyms> (437)
N/A

>  <Target> (437)
DNA-PK

>  <Form> (437)
Free Base

>  <CAS> (437)
154447-35-5

>  <URL> (437)
http://www.selleckchem.com/products/nu7026.html

$$$$
Vinpocetine.cdx
csChFnd80/01132110042D

 27 31  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (438)
438

>  <Formula> (438)
C22H26N2O2

>  <MolWeight> (438)
350.45404

>  <Cat> (438)
S2110

>  <Name> (438)
Vinpocetine (Cavinton)

>  <Synonyms> (438)
N/A

>  <Target> (438)
Sodium Channel

>  <Form> (438)
Free Base

>  <CAS> (438)
42971-09-5

>  <URL> (438)
http://www.selleckchem.com/products/vinpocetine-cavinton.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/01132110042D

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>  <Mol_ID> (439)
439

>  <Formula> (439)
C11H6F3NO2S

>  <MolWeight> (439)
273.2310496

>  <Cat> (439)
S8005

>  <Name> (439)
SMI-4a

>  <Synonyms> (439)
N/A

>  <Target> (439)
Pim

>  <Form> (439)
Free Base

>  <CAS> (439)
438190-29-5

>  <URL> (439)
http://www.selleckchem.com/products/smi-4a.html

$$$$
VE-821.cdx
csChFnd80/01132110042D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (440)
440

>  <Formula> (440)
C18H16N4O3S

>  <MolWeight> (440)
368.40964

>  <Cat> (440)
S8007

>  <Name> (440)
VE-821

>  <Synonyms> (440)
N/A

>  <Target> (440)
ATM/ATR

>  <Form> (440)
Free Base

>  <CAS> (440)
1232410-49-9

>  <URL> (440)
http://www.selleckchem.com/products/ve-821.html

$$$$
GSK2636771.cdx
csChFnd80/01132110042D

 31 34  0  0  0  0  0  0  0  0999 V2000
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    4.8624    9.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4152    7.3683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2409    8.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4152    9.6414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6409    8.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8478    6.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8579    5.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5056    5.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5156    4.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8780    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2303    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2202    3.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5926    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2403    0.9899    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9449    1.7146    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9549    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    7.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624   11.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   12.0097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748   12.0097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    7.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    5.6975    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
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 23 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 23  1  0  0  0  0
M  END
>  <Mol_ID> (441)
441

>  <Formula> (441)
C22H22F3N3O3

>  <MolWeight> (441)
433.4235896

>  <Cat> (441)
S8002

>  <Name> (441)
GSK2636771

>  <Synonyms> (441)
N/A

>  <Target> (441)
PI3K

>  <Form> (441)
Free Base

>  <CAS> (441)
1372540-25-4

>  <URL> (441)
http://www.selleckchem.com/products/gsk2636771.html

$$$$
PQ 401.cdx
csChFnd80/01132110042D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0588    4.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    6.2880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    4.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    0.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2154    2.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    4.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    6.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    8.3880    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  9 14  1  0  0  0  0
  6 15  1  0  0  0  0
  4  8  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (442)
442

>  <Formula> (442)
C18H16ClN3O2

>  <MolWeight> (442)
341.79154

>  <Cat> (442)
S8003

>  <Name> (442)
PQ 401

>  <Synonyms> (442)
N/A

>  <Target> (442)
IGF-1R

>  <Form> (442)
Free Base

>  <CAS> (442)
196868-63-0

>  <URL> (442)
http://www.selleckchem.com/products/pq-401.html

$$$$
AG 18.cdx
csChFnd80/01132110042D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  3  0  0  0  0
  9 13  3  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (443)
443

>  <Formula> (443)
C10H6N2O2

>  <MolWeight> (443)
186.16684

>  <Cat> (443)
S8009

>  <Name> (443)
AG 18 (Tyrphostin 23)

>  <Synonyms> (443)
RG-50810

>  <Target> (443)
EGFR

>  <Form> (443)
Free Base

>  <CAS> (443)
118409-57-7

>  <URL> (443)
http://www.selleckchem.com/products/ag-18-tyrphostin-23.html

$$$$

csChFnd80/01132110042D

 37 40  0  0  0  0  0  0  0  0999 V2000
    8.2594    6.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8594    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1594    7.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1594    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    5.5497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365    5.9824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365    3.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    4.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555    1.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3097    4.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.1244    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881    2.7702    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7784    0.8147    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9594    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3594    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0594    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2594    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4594    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5594    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4594    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2594    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6594    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6594    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2594    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7594    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4594    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3594    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7594    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
  9 11  1  0  0  0  0
  4  7  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
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 24 33  2  0  0  0  0
 28 33  1  0  0  0  0
 23 27  1  0  0  0  0
 34 35  1  0  0  0  0
 31 34  1  0  0  0  0
 36 37  1  0  0  0  0
 30 36  1  0  0  0  0
 19 23  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
>  <Mol_ID> (444)
444

>  <Formula> (444)
C24H22F3N5O5

>  <MolWeight> (444)
517.4571896

>  <Cat> (444)
S8015

>  <Name> (444)
CEP-32496

>  <Synonyms> (444)
N/A

>  <Target> (444)
Raf

>  <Form> (444)
Free Base

>  <CAS> (444)
1188910-76-0

>  <URL> (444)
http://www.selleckchem.com/products/cep-32496.html

$$$$
GW 9508.cdx
csChFnd80/01132110042D

 26 28  0  0  0  0  0  0  0  0999 V2000
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   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
   10.9119    2.8000    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
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
   18.1865    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
   12.1244    2.1000    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
   13.3368    2.8000    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
    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
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
  3  1  2  0  0  0  0
  8  1  1  0  0  0  0
 11  1  1  0  0  0  0
  2  6  1  0  0  0  0
  9  2  1  0  0  0  0
  4  5  1  0  0  0  0
 13  4  1  0  0  0  0
  5  7  2  0  0  0  0
 20  5  1  0  0  0  0
  6 16  1  0  0  0  0
 15  6  2  0  0  0  0
  7 12  1  0  0  0  0
 14  8  1  0  0  0  0
 12  9  1  0  0  0  0
 10 14  1  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 21 12  2  0  0  0  0
 22 13  2  0  0  0  0
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GPR

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885101-89-3

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http://www.selleckchem.com/products/gw9508.html

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ALK

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Free Base

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1197958-12-5

>  <URL> (446)
http://www.selleckchem.com/products/ap26113.html

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C21H25ClN6O2

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AZD5363

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N/A

>  <Target> (447)
Akt

>  <Form> (447)
Free Base

>  <CAS> (447)
1143532-39-1

>  <URL> (447)
http://www.selleckchem.com/products/azd5363.html

$$$$
AG-1296.cdx
csChFnd80/01132110042D

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448

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C16H14N2O2

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Tyrphostin AG 1296 (AG 1296)

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N/A

>  <Target> (448)
PDGFR

>  <Form> (448)
Free Base

>  <CAS> (448)
146535-11-7

>  <URL> (448)
http://www.selleckchem.com/products/tyrphostin-ag-1296-ag-1296.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/01132110042D

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TCS 359

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N/A

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FLT3

>  <Form> (449)
Free Base

>  <CAS> (449)
301305-73-7

>  <URL> (449)
http://www.selleckchem.com/products/tcs-359.html

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/01132110042D

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450

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FNa2O3P

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Sodium Monofluorophosphate

>  <Synonyms> (450)
Sodium Fluorophosphate

>  <Target> (450)
Others
phosphatase

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Disodium salt

>  <CAS> (450)
10163-15-2

>  <URL> (450)
http://www.selleckchem.com/products/sodium-monofluorophosphate.html

$$$$
IPI-145.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (451)
451

>  <Formula> (451)
C22H17ClN6O

>  <MolWeight> (451)
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S7028

>  <Name> (451)
Duvelisib (IPI-145, INK1197)

>  <Synonyms> (451)
N/A

>  <Target> (451)
PI3K

>  <Form> (451)
Free Base

>  <CAS> (451)
1201438-56-3

>  <URL> (451)
http://www.selleckchem.com/products/ipi-145-ink1197.html

$$$$
Necrostatin-1.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (452)
452

>  <Formula> (452)
C13H13N3OS

>  <MolWeight> (452)
259.32682

>  <Cat> (452)
S8037

>  <Name> (452)
Necrostatin-1

>  <Synonyms> (452)
N/A

>  <Target> (452)
TNF-alpha

>  <Form> (452)
Free Base

>  <CAS> (452)
4311-88-0

>  <URL> (452)
http://www.selleckchem.com/products/necrostatin-1.html

$$$$
STATTIC.cdx
csChFnd80/01132110042D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (453)
453

>  <Formula> (453)
C8H5NO4S

>  <MolWeight> (453)
211.1946

>  <Cat> (453)
S7024

>  <Name> (453)
Stattic

>  <Synonyms> (453)
N/A

>  <Target> (453)
STAT

>  <Form> (453)
Free Base

>  <CAS> (453)
19983-44-9

>  <URL> (453)
http://www.selleckchem.com/products/stattic.html

$$$$
GW2580.cdx
csChFnd80/01132110042D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (454)
454

>  <Formula> (454)
C20H22N4O3

>  <MolWeight> (454)
366.41368

>  <Cat> (454)
S8042

>  <Name> (454)
GW2580

>  <Synonyms> (454)
N/A

>  <Target> (454)
CSF-1R

>  <Form> (454)
Free Base

>  <CAS> (454)
870483-87-7

>  <URL> (454)
http://www.selleckchem.com/products/gw2580.html

$$$$
Butein.cdx
csChFnd80/01132110042D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (455)
455

>  <Formula> (455)
C15H12O5

>  <MolWeight> (455)
272.25278

>  <Cat> (455)
S8036

>  <Name> (455)
Butein

>  <Synonyms> (455)
N/A

>  <Target> (455)
EGFR

>  <Form> (455)
Free Base

>  <CAS> (455)
487-52-5

>  <URL> (455)
https://www.selleckchem.com/products/butein.html

$$$$
(-)-Blebbistatin.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (456)
456

>  <Formula> (456)
C18H16N2O2

>  <MolWeight> (456)
292.33184

>  <Cat> (456)
S7099

>  <Name> (456)
(-)-Blebbistatin

>  <Synonyms> (456)
N/A

>  <Target> (456)
ATPase

>  <Form> (456)
Free Base

>  <CAS> (456)
856925-71-8

>  <URL> (456)
https://www.selleckchem.com/products/blebbistatin.html

$$$$
GDC-0349.cdx
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>  <Mol_ID> (457)
457

>  <Formula> (457)
C24H32N6O3

>  <MolWeight> (457)
452.54928

>  <Cat> (457)
S8040

>  <Name> (457)
GDC-0349

>  <Synonyms> (457)
RG7603

>  <Target> (457)
mTOR

>  <Form> (457)
Free Base

>  <CAS> (457)
1207360-89-1

>  <URL> (457)
https://www.selleckchem.com/products/gdc-0349.html

$$$$
NVP-TAE684.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (458)
458

>  <Formula> (458)
C30H40ClN7O3S

>  <MolWeight> (458)
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>  <Cat> (458)
S1108

>  <Name> (458)
TAE684 (NVP-TAE684)

>  <Synonyms> (458)
N/A 

>  <Target> (458)
ALK 

>  <Form> (458)
Free Base

>  <CAS> (458)
761439-42-3

>  <URL> (458)
http://www.selleckchem.com/products/NVP-TAE684.html

$$$$
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csChFnd80/01132110042D

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>  <Mol_ID> (459)
459

>  <Formula> (459)
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>  <MolWeight> (459)
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>  <Cat> (459)
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>  <Name> (459)
SBC-115076

>  <Synonyms> (459)
N/A

>  <Target> (459)
Others

>  <Form> (459)
Free Base

>  <CAS> (459)
489415-96-5

>  <URL> (459)
http://www.selleckchem.com/products/sbc-115076.html

$$$$
SGX-523 .cdx
csChFnd80/01132110042D

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>  <Mol_ID> (460)
460

>  <Formula> (460)
C18H13N7S

>  <MolWeight> (460)
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S1112

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SGX-523

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N/A

>  <Target> (460)
c-Met 

>  <Form> (460)
Free Base

>  <CAS> (460)
1022150-57-7

>  <URL> (460)
http://www.selleckchem.com/products/SGX-523.html

$$$$
untitled.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (461)
461

>  <Formula> (461)
C21H16N6O2S2

>  <MolWeight> (461)
448.52074

>  <Cat> (461)
S1118

>  <Name> (461)
XL147 analogue

>  <Synonyms> (461)
SAR245408

>  <Target> (461)
PI3K 

>  <Form> (461)
Free Base

>  <CAS> (461)
956958-53-5

>  <URL> (461)
http://www.selleckchem.com/products/XL147.html

$$$$
s1023.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (462)
462

>  <Formula> (462)
C22H24ClN3O4

>  <MolWeight> (462)
429.89666

>  <Cat> (462)
S1023

>  <Name> (462)
Erlotinib(OSI-744)

>  <Synonyms> (462)
(CP358774, NSC 718781) HCl

>  <Target> (462)
EGFR

>  <Form> (462)
Hydrochloride

>  <CAS> (462)
183319-69-9

>  <URL> (462)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (463)
463

>  <Formula> (463)
C16H15BrClN5O4S

>  <MolWeight> (463)
488.7434

>  <Cat> (463)
S1205

>  <Name> (463)
PIK-75 

>  <Synonyms> (463)
N/A

>  <Target> (463)
PI3K, DNA-PK

>  <Form> (463)
Hydrochloride

>  <CAS> (463)
372196-77-5

>  <URL> (463)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (464)
464

>  <Formula> (464)
C25H52NO4P

>  <MolWeight> (464)
461.658441

>  <Cat> (464)
S1037

>  <Name> (464)
Perifosine (KRX-0401)

>  <Synonyms> (464)
NSC639966

>  <Target> (464)
Akt

>  <Form> (464)
Free Base

>  <CAS> (464)
157716-52-4

>  <URL> (464)
http://www.selleckchem.com/products/Perifosine.html

$$$$
Ellagic acid.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (465)
465

>  <Formula> (465)
C14H6O8

>  <MolWeight> (465)
302.19264

>  <Cat> (465)
S1327

>  <Name> (465)
Ellagic acid

>  <Synonyms> (465)
N/A

>  <Target> (465)
Topoisomerases

>  <Form> (465)
Free Base

>  <CAS> (465)
476-66-4

>  <URL> (465)
http://www.selleckchem.com/products/Ellagic-acid.html

$$$$
bms-707035.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (466)
466

>  <Formula> (466)
C18H11N3O2S

>  <MolWeight> (466)
333.36384

>  <Cat> (466)
S1360

>  <Name> (466)
GSK1059615

>  <Synonyms> (466)
N/A

>  <Target> (466)
PI3K, mTOR

>  <Form> (466)
Free Base

>  <CAS> (466)
958852-01-2

>  <URL> (466)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
LY2228820.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (467)
467

>  <Formula> (467)
C26H37FN6O6S2

>  <MolWeight> (467)
612.7369832

>  <Cat> (467)
S1494

>  <Name> (467)
LY2228820

>  <Synonyms> (467)
N/A

>  <Target> (467)
p38 MAPK

>  <Form> (467)
Dimesylate

>  <CAS> (467)
862507-23-1

>  <URL> (467)
http://www.selleckchem.com/products/LY2228820.html

$$$$
CCT129202.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (468)
468

>  <Formula> (468)
C23H25ClN8OS

>  <MolWeight> (468)
497.0156

>  <Cat> (468)
S1519

>  <Name> (468)
CCT129202

>  <Synonyms> (468)
N/A

>  <Target> (468)
Aurora Kinase

>  <Form> (468)
Free Base

>  <CAS> (468)
942947-93-5

>  <URL> (468)
http://www.selleckchem.com/products/CCT129202.html

$$$$
Neratinib.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (469)
469

>  <Formula> (469)
C30H29ClN6O3

>  <MolWeight> (469)
557.04266

>  <Cat> (469)
S2150

>  <Name> (469)
Neratinib (HKI-272)

>  <Synonyms> (469)
N/A 

>  <Target> (469)
HER2, EGFR

>  <Form> (469)
Free Base

>  <CAS> (469)
698387-09-6

>  <URL> (469)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

$$$$
R 788.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (470)
470

>  <Formula> (470)
C23H24FN6Na2O9P

>  <MolWeight> (470)
624.4231642

>  <Cat> (470)
S2206

>  <Name> (470)
R935788 (Fostamatinib disodium)

>  <Synonyms> (470)
N/A 

>  <Target> (470)
Syk

>  <Form> (470)
Sodium Salt

>  <CAS> (470)
1025687-58-4

>  <URL> (470)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

$$$$
untitled.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (471)
471

>  <Formula> (471)
C19H12F4N4O2

>  <MolWeight> (471)
404.3177928

>  <Cat> (471)
S6005

>  <Name> (471)
VX-702

>  <Synonyms> (471)
N/A

>  <Target> (471)
p38 MAPK 

>  <Form> (471)
Free Base

>  <CAS> (471)
745833-23-2

>  <URL> (471)
http://www.selleckchem.com/products/VX-702.html

$$$$
PK-1587.cdx
csChFnd80/01132110042D

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    6.0580    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    3.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9488    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9488    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3653    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    5.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3653    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5777    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5777    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9984    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2066    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  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  8  1  0  0  0  0
  7 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  7  1  0  0  0  0
  4 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
 22 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
 26 29  2  0  0  0  0
 28 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 28  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 36  1  0  0  0  0
 40 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
M  END
>  <Mol_ID> (472)
472

>  <Formula> (472)
C32H41N9O4

>  <MolWeight> (472)
615.72584

>  <Cat> (472)
S2628

>  <Name> (472)
PF-05212384 (PKI-587)

>  <Synonyms> (472)
N/A 

>  <Target> (472)
mTOR, PI3K

>  <Form> (472)
Free Base

>  <CAS> (472)
1197160-78-3

>  <URL> (472)
http://www.selleckchem.com/products/pki587.html

$$$$
Amiloride hydrochloride dihydrate.cdx
csChFnd80/01132110042D

 18 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.5463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    5.3561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3537    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    5.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.6537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    6.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4047    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9478    3.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478    3.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 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
M  END
>  <Mol_ID> (473)
473

>  <Formula> (473)
C6H13Cl2N7O3

>  <MolWeight> (473)
302.11852

>  <Cat> (473)
S2560

>  <Name> (473)
Amiloride hydrochloride dihydrate

>  <Synonyms> (473)
MK-870

>  <Target> (473)
Sodium Channel

>  <Form> (473)
hydrochloride & dihydrate

>  <CAS> (473)
17440-83-4

>  <URL> (473)
http://www.selleckchem.com/products/amilorida.html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/01132110042D

 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
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.8951    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
    7.2704    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9093    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1218    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3342    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3342    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  4  5  2  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
  6 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
  7 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
 23 18  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 22 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 25  1  0  0  0  0
M  END
>  <Mol_ID> (474)
474

>  <Formula> (474)
C25H19NO3S

>  <MolWeight> (474)
413.48826

>  <Cat> (474)
S2638

>  <Name> (474)
NU7441(KU-57788)

>  <Synonyms> (474)
N/A 

>  <Target> (474)
DNA-PK, PI3K

>  <Form> (474)
Free Base

>  <CAS> (474)
503468-95-9 

>  <URL> (474)
http://www.selleckchem.com/products/nu7441.html

$$$$
SCH 900776.cdx
csChFnd80/01132110042D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.9324    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9324    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3573    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3573    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9324    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9324    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3573    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3573    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8920    7.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5274    6.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  6  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
  5 13  1  0  0  0  0
  4 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17  1  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 18  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (475)
475

>  <Formula> (475)
C15H18BrN7

>  <MolWeight> (475)
376.25432

>  <Cat> (475)
S2735

>  <Name> (475)
MK-8776 (SCH 900776)

>  <Synonyms> (475)
N/A

>  <Target> (475)
CHK

>  <Form> (475)
Free Base

>  <CAS> (475)
891494-63-6

>  <URL> (475)
http://www.selleckchem.com/products/sch-900776.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/01132110042D

 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
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>  <Mol_ID> (476)
476

>  <Formula> (476)
C23H14Na2O11

>  <MolWeight> (476)
512.3302

>  <Cat> (476)
S1911

>  <Name> (476)
Disodium Cromoglycate

>  <Synonyms> (476)
Gynazole

>  <Target> (476)
Calcium Channel

>  <Form> (476)
Disodium Salt

>  <CAS> (476)
15826-37-6

>  <URL> (476)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

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CCT137690.cdx
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>  <Mol_ID> (477)
477

>  <Formula> (477)
C26H31BrN8O

>  <MolWeight> (477)
551.48134

>  <Cat> (477)
S2744

>  <Name> (477)
CCT137690

>  <Synonyms> (477)
N/A

>  <Target> (477)
Aurora Kinase

>  <Form> (477)
Free Base

>  <CAS> (477)
1095382-05-0

>  <URL> (477)
http://www.selleckchem.com/products/cct137690.html

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>  <Mol_ID> (478)
478

>  <Formula> (478)
C17H13N3O7

>  <MolWeight> (478)
371.30102

>  <Cat> (478)
S7129

>  <Name> (478)
PYR-41

>  <Synonyms> (478)
N/A

>  <Target> (478)
E1 Activating

>  <Form> (478)
Free Base

>  <CAS> (478)
418805-02-4

>  <URL> (478)
http://www.selleckchem.com/products/pyr-41.html

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SC79.cdx
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>  <Mol_ID> (479)
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>  <Formula> (479)
C17H17ClN2O5

>  <MolWeight> (479)
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>  <Cat> (479)
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>  <Name> (479)
SC79

>  <Synonyms> (479)
N/A

>  <Target> (479)
Akt

>  <Form> (479)
Free Base

>  <CAS> (479)
305834-79-1

>  <URL> (479)
http://www.selleckchem.com/products/sc79.html

$$$$
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MEK

>  <Form> (480)
Free Base

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1207293-36-4

>  <URL> (480)
http://www.selleckchem.com/products/bi-847325.html

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>  <Synonyms> (481)
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>  <Target> (481)
EGFR

>  <Form> (481)
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>  <CAS> (481)
1421373-98-9

>  <URL> (481)
http://www.selleckchem.com/products/az5104.html

$$$$
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>  <URL> (482)
http://www.selleckchem.com/products/lrrk2-in-1.html

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1221713-92-3

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http://www.selleckchem.com/products/nps-1034.html

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KN-93 Phosphate

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N/A

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CaMK

>  <Form> (484)
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1188890-41-6

>  <URL> (484)
http://www.selleckchem.com/products/kn-93-phosphate.html

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>  <Target> (485)
MEK

>  <Form> (485)
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>  <CAS> (485)
1168091-68-6

>  <URL> (485)
http://www.selleckchem.com/products/gdc-0623.html

$$$$
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>  <CAS> (486)
1276553-09-3

>  <URL> (486)
http://www.selleckchem.com/products/pf-4989216.html

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M  END
>  <Mol_ID> (487)
487

>  <Formula> (487)
C24H25F2N3O4

>  <MolWeight> (487)
457.4698064

>  <Cat> (487)
S7694

>  <Name> (487)
AZD8186

>  <Synonyms> (487)
N/A

>  <Target> (487)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (487)
Free Base

>  <CAS> (487)
1627494-13-6

>  <URL> (487)
http://www.selleckchem.com/products/azd8186.html

$$$$
Dibutyryl-cAMP.cdx
csChFnd80/01132110042D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (488)
488

>  <Formula> (488)
C18H23N5NaO8P

>  <MolWeight> (488)
491.367451

>  <Cat> (488)
S7858

>  <Name> (488)
Dibutyryl-cAMP (Bucladesine)

>  <Synonyms> (488)
dbcAMP

>  <Target> (488)
PKA

>  <Form> (488)
sodium salt

>  <CAS> (488)
16980-89-5

>  <URL> (488)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

$$$$
8-Bromo-cAMP.cdx
csChFnd80/01132110042D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (489)
489

>  <Formula> (489)
C10H10BrN5NaO6P

>  <MolWeight> (489)
430.083831

>  <Cat> (489)
S7857

>  <Name> (489)
8-Bromo-cAMP

>  <Synonyms> (489)
N/A

>  <Target> (489)
PKA

>  <Form> (489)
sodium salt

>  <CAS> (489)
76939-46-3

>  <URL> (489)
http://www.selleckchem.com/products/8-bromo-camp.html

$$$$
BLU9931.cdx
csChFnd80/01132110042D

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 31 35  1  0  0  0  0
M  END
>  <Mol_ID> (490)
490

>  <Formula> (490)
C26H22Cl2N4O3

>  <MolWeight> (490)
509.38388

>  <Cat> (490)
S7819

>  <Name> (490)
BLU9931

>  <Synonyms> (490)
N/A

>  <Target> (490)
FGFR

>  <Form> (490)
Free Base

>  <CAS> (490)
1538604-68-0

>  <URL> (490)
http://www.selleckchem.com/products/blu9931.html

$$$$
TP-0903.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (491)
491

>  <Formula> (491)
C24H30ClN7O2S

>  <MolWeight> (491)
516.0587

>  <Cat> (491)
S7846

>  <Name> (491)
TP-0903

>  <Synonyms> (491)
N/A

>  <Target> (491)
TAM Receptor

>  <Form> (491)
Free Base

>  <CAS> (491)
1341200-45-0

>  <URL> (491)
http://www.selleckchem.com/products/tp-0903.html

$$$$
FLLL32.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (492)
492

>  <Formula> (492)
C28H32O6

>  <MolWeight> (492)
464.55008

>  <Cat> (492)
S7259

>  <Name> (492)
FLLL32

>  <Synonyms> (492)
N/A

>  <Target> (492)
JAK

>  <Form> (492)
Free Base

>  <CAS> (492)
1226895-15-3

>  <URL> (492)
http://www.selleckchem.com/products/flll32.html

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (493)
493

>  <Formula> (493)
C5H6Na2O5

>  <MolWeight> (493)
192.07768

>  <Cat> (493)
S7873

>  <Name> (493)
Disodium (R)-2-Hydroxyglutarate

>  <Synonyms> (493)
N/A

>  <Target> (493)
Others

>  <Form> (493)
disodium salt

>  <CAS> (493)
103404-90-6

>  <URL> (493)
http://www.selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (494)
494

>  <Formula> (494)
C26H44NNaO6S

>  <MolWeight> (494)
521.68543

>  <Cat> (494)
S7896

>  <Name> (494)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (494)
N/A

>  <Target> (494)
Antifection

>  <Form> (494)
sodium salt

>  <CAS> (494)
35807-85-3

>  <URL> (494)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/01132110042D

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1352226-88-0

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http://www.selleckchem.com/products/azd6738.html

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>  <Cat> (501)
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DDR1-IN-1

>  <Synonyms> (501)
N/A

>  <Target> (501)
Others

>  <Form> (501)
Free Base

>  <CAS> (501)
1449685-96-4

>  <URL> (501)
http://www.selleckchem.com/products/ddr1-in-1.html

$$$$

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N/A

>  <Target> (502)
VEGFR

>  <Form> (502)
Free Base

>  <CAS> (502)
215543-92-3

>  <URL> (502)
http://www.selleckchem.com/products/su5402.html

$$$$
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>  <Formula> (503)
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UNC-2025

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N/A

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hydrochloride salt

>  <CAS> (503)
1429881-91-3

>  <URL> (503)
http://www.selleckchem.com/products/unc-2025.html

$$$$
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Akt

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Free Base

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1616632-77-9

>  <URL> (504)
http://www.selleck.cn/products/tic-10.html

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csChFnd80/01132110042D

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>  <Synonyms> (505)
N/A

>  <Target> (505)
Akt

>  <Form> (505)
Free Base

>  <CAS> (505)
612847-09-3

>  <URL> (505)
http://www.selleck.cn/products/akti-1-2.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/01132110042D

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N/A

>  <Target> (506)
GSK-3

>  <Form> (506)
Free Base

>  <CAS> (506)
667463-85-6

>  <URL> (506)
http://www.selleck.cn/products/bio-acetoxime.html

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>  <Formula> (507)
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>  <Cat> (507)
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>  <Synonyms> (507)
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>  <Target> (507)
PI3K

>  <Form> (507)
Free Base

>  <CAS> (507)
1608125-21-8

>  <URL> (507)
http://www.selleckchem.com/products/amg319.html

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csChFnd80/01132110042D

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C21H23N5O4S

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AZD3264

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N/A

>  <Target> (508)
I¦ÊB/IKK

>  <Form> (508)
Free Base

>  <CAS> (508)
1609281-86-8

>  <URL> (508)
http://www.selleckchem.com/products/azd3264.html

$$$$
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csChFnd80/01132110042D

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509

>  <Formula> (509)
C20H22ClN7O

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411.88798

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S8666

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BAY 1895344

>  <Synonyms> (509)
N/A

>  <Target> (509)
ATR

>  <Form> (509)
hydrochloride

>  <CAS> (509)
1876467-74-1(free base)

>  <URL> (509)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
S5119 Olivetol.cdx
csChFnd80/01132110042D

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510

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C11H16O2

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180.24354

>  <Cat> (510)
S5119

>  <Name> (510)
Olivetol

>  <Synonyms> (510)
5-Pentylresorcinol, 5-n-Amylresorcinol

>  <Target> (510)
CB1,CB2,CYP1A1,CYP2C19

>  <Form> (510)
free base

>  <CAS> (510)
500-66-3

>  <URL> (510)
http://www.selleckchem.com/products/olivetol.html

$$$$
S3753 L-Leucine.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (511)
511

>  <Formula> (511)
C6H13NO2

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131.17292

>  <Cat> (511)
S3753

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L-Leucine

>  <Synonyms> (511)
(S)-Leucine, Leu

>  <Target> (511)
Others

>  <Form> (511)
free base

>  <CAS> (511)
61-90-5

>  <URL> (511)
http://www.selleckchem.com/products/l-leucine.html

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/01132110042D

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512

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C17H15N9

>  <MolWeight> (512)
345.3613

>  <Cat> (512)
S7674

>  <Name> (512)
Savolitinib(AZD6094, HMPL-504)

>  <Synonyms> (512)
Volitinib

>  <Target> (512)
MET

>  <Form> (512)
free base

>  <CAS> (512)
1313725-88-0

>  <URL> (512)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
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csChFnd80/01132110042D

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M  END
>  <Mol_ID> (513)
513

>  <Formula> (513)
C14H27NaO5S

>  <MolWeight> (513)
330.41595

>  <Cat> (513)
S3801

>  <Name> (513)
Sodium Houttuyfonate

>  <Synonyms> (513)
N/A

>  <Target> (513)
Antifection

>  <Form> (513)
sodium salt

>  <CAS> (513)
1847-58-1

>  <URL> (513)
http://www.selleckchem.com/products/sodium-houttuyfonate.html

$$$$
S3813 Bakuchiol.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (514)
514

>  <Formula> (514)
C18H24O

>  <MolWeight> (514)
256.38256

>  <Cat> (514)
S3813

>  <Name> (514)
Bakuchiol

>  <Synonyms> (514)
(S)-(+)-Bakuchiol

>  <Target> (514)
Immunology & Inflammation related

>  <Form> (514)
free base

>  <CAS> (514)
10309-37-2

>  <URL> (514)
http://www.selleckchem.com/products/bakuchiol.html

$$$$
AZD1080.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (515)
515

>  <Formula> (515)
C19H18N4O2

>  <MolWeight> (515)
334.37182

>  <Cat> (515)
S7145

>  <Name> (515)
AZD1080

>  <Synonyms> (515)
N/A

>  <Target> (515)
GSK-3

>  <Form> (515)
Free Base

>  <CAS> (515)
612487-72-6

>  <URL> (515)
http://www.selleckchem.com/products/azd1080.html

$$$$
SKI II (SphK-I2).cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (516)
516

>  <Formula> (516)
C15H11ClN2OS

>  <MolWeight> (516)
302.77864

>  <Cat> (516)
S7176

>  <Name> (516)
SKI II

>  <Synonyms> (516)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (516)
S1P Receptor

>  <Form> (516)
Free Base

>  <CAS> (516)
312636-16-1

>  <URL> (516)
http://www.selleckchem.com/products/ski-ii.html

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (517)
517

>  <Formula> (517)
C17H15BrF2N4O3

>  <MolWeight> (517)
441.2268064

>  <Cat> (517)
S7007

>  <Name> (517)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (517)
N/A

>  <Target> (517)
MEK

>  <Form> (517)
Free Base

>  <CAS> (517)
606143-89-9

>  <URL> (517)
http://www.selleckchem.com/products/mek162.html

$$$$
GSK2334470.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (518)
518

>  <Formula> (518)
C25H34N8O

>  <MolWeight> (518)
462.59046

>  <Cat> (518)
S7087

>  <Name> (518)
GSK2334470

>  <Synonyms> (518)
N/A

>  <Target> (518)
PDK-1

>  <Form> (518)
Free Base

>  <CAS> (518)
1227911-45-6

>  <URL> (518)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (519)
519

>  <Formula> (519)
C24H26N4O

>  <MolWeight> (519)
386.48944

>  <Cat> (519)
S7127

>  <Name> (519)
TIC10 analogue

>  <Synonyms> (519)
TRAIL-inducing Compound 10

>  <Target> (519)
Akt

>  <Form> (519)
Free Base

>  <CAS> (519)
41276-02-2

>  <URL> (519)
http://www.selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/01132110042D

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>  <Mol_ID> (520)
520

>  <Formula> (520)
C16H10BrN3O2

>  <MolWeight> (520)
356.1735

>  <Cat> (520)
S7198

>  <Name> (520)
BIO

>  <Synonyms> (520)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (520)
GSK-3

>  <Form> (520)
Free Base

>  <CAS> (520)
667463-62-9

>  <URL> (520)
http://www.selleckchem.com/products/bio.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/01132110042D

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>  <Mol_ID> (521)
521

>  <Formula> (521)
C17H13N5

>  <MolWeight> (521)
287.31862

>  <Cat> (521)
S7223

>  <Name> (521)
RepSox

>  <Synonyms> (521)
E-616452, SJN 2511

>  <Target> (521)
TGF-beta/Smad

>  <Form> (521)
Free Base

>  <CAS> (521)
446859-33-2

>  <URL> (521)
http://www.selleckchem.com/products/repsox.html

$$$$
AZD2858.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (522)
522

>  <Formula> (522)
C21H23N7O3S

>  <MolWeight> (522)
453.51742

>  <Cat> (522)
S7253

>  <Name> (522)
AZD2858

>  <Synonyms> (522)
N/A

>  <Target> (522)
GSK-3

>  <Form> (522)
Free Base

>  <CAS> (522)
486424-20-8

>  <URL> (522)
http://www.selleckchem.com/products/azd2858.html

$$$$
ZM39923 HCl.cdx
csChFnd80/01132110042D

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    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    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
    5.7377    0.0634    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  9 14  1  0  0  0  0
  1  6  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 15 16  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
 20 25  2  0  0  0  0
 15 19  1  0  0  0  0
  3 15  1  0  0  0  0
M  END
>  <Mol_ID> (523)
523

>  <Formula> (523)
C23H26ClNO

>  <MolWeight> (523)
367.91164

>  <Cat> (523)
S8004

>  <Name> (523)
ZM 39923 HCl

>  <Synonyms> (523)
N/A

>  <Target> (523)
JAK

>  <Form> (523)
HCl

>  <CAS> (523)
1021868-92-7

>  <URL> (523)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/01132110042D

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    8.5518    7.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4906    8.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8477    8.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2671    7.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8380    5.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7077    6.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1569    7.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3432    8.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8062   10.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8380    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0499    3.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0499    2.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2622    1.3845    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1408   10.6558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6652   11.0566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4244    8.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9431    6.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107    6.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7353    7.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7920    8.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517    5.6058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1578    7.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9778    8.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5331   10.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2014   10.6711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517    4.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4746    2.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4746    3.4844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6871    1.3844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0533    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0533    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4533    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0533    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
  2  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 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
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 17 28  1  0  0  0  0
 10 27  2  0  0  0  0
 24 30  1  0  0  0  0
 15 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (524)
524

>  <Formula> (524)
C26H27N5O5S2

>  <MolWeight> (524)
553.65308

>  <Cat> (524)
S7207

>  <Name> (524)
Ro 31-8220 Mesylate

>  <Synonyms> (524)
Bisindolylmaleimide IX Mesylate

>  <Target> (524)
PKC

>  <Form> (524)
Mesylate

>  <CAS> (524)
138489-18-6

>  <URL> (524)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
Bardoxolone Methyl.cdx
csChFnd80/01132110042D

 40 44  0  0  0  0  0  0  0  0999 V2000
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   10.9157    8.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9136    5.2628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9095    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6960    3.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4831    3.8629    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    3.1633    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2691    1.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0556    1.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8443    1.7683    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6308    1.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4164    3.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 34  3  0  0  0  0
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M  END
>  <Mol_ID> (525)
525

>  <Formula> (525)
C32H43NO4

>  <MolWeight> (525)
505.68812

>  <Cat> (525)
S8078

>  <Name> (525)
Bardoxolone Methyl

>  <Synonyms> (525)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester

>  <Target> (525)
I¦ÊB/IKK

>  <Form> (525)
Free Base

>  <CAS> (525)
218600-53-4

>  <URL> (525)
http://www.selleckchem.com/products/bardoxolone-methyl.html

$$$$
CZC24832.cdx
csChFnd80/01132110042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 20  8  1  0  0  0  0
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 19 24  1  0  0  0  0
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M  END
>  <Mol_ID> (526)
526

>  <Formula> (526)
C15H17FN6O2S

>  <MolWeight> (526)
364.3978832

>  <Cat> (526)
S7018

>  <Name> (526)
CZC24832

>  <Synonyms> (526)
N/A

>  <Target> (526)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (526)
Free Base

>  <CAS> (526)
1159824-67-5

>  <URL> (526)
http://www.selleckchem.com/products/czc24832.html

$$$$
SRPIN340.cdx
csChFnd80/01132110042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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218156-96-8

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http://www.selleckchem.com/products/srpin340.html

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N/A

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mTOR

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Free Base

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1345675-02-6

>  <URL> (528)
http://www.selleckchem.com/products/etp-46464.html

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mTOR

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Free Base

>  <CAS> (529)
1251156-08-7

>  <URL> (529)
http://www.selleckchem.com/products/xl388.html

$$$$
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>  <URL> (530)
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$$$$
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M  END
>  <Mol_ID> (531)
531

>  <Formula> (531)
C24H27Cl2N5O

>  <MolWeight> (531)
472.41008

>  <Cat> (531)
S7306

>  <Name> (531)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (531)
BML-275,Compound C

>  <Target> (531)
AMPK

>  <Form> (531)
Dihydrochloride

>  <CAS> (531)
1219168-18-9

>  <URL> (531)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EHop-016.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (532)
532

>  <Formula> (532)
C25H30N6O

>  <MolWeight> (532)
430.5453

>  <Cat> (532)
S7319

>  <Name> (532)
EHop-016

>  <Synonyms> (532)
N/A

>  <Target> (532)
Rac

>  <Form> (532)
Free Base

>  <CAS> (532)
1380432-32-5

>  <URL> (532)
http://www.selleckchem.com/products/ehop-016.html

$$$$
Skepinone-L.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (533)
533

>  <Formula> (533)
C24H21F2NO4

>  <MolWeight> (533)
425.4246464

>  <Cat> (533)
S7214

>  <Name> (533)
Skepinone-L

>  <Synonyms> (533)
N/A

>  <Target> (533)
p38 MAPK

>  <Form> (533)
Free Base

>  <CAS> (533)
1221485-83-1

>  <URL> (533)
http://www.selleckchem.com/products/skepinone-l.html

$$$$
bms-345541.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (534)
534

>  <Formula> (534)
C14H17N5

>  <MolWeight> (534)
255.31828

>  <Cat> (534)
S8044

>  <Name> (534)
bms-345541

>  <Synonyms> (534)
N/A

>  <Target> (534)
I¦ÊB/IKK

>  <Form> (534)
Free Base

>  <CAS> (534)
445430-58-0

>  <URL> (534)
http://www.selleckchem.com/products/bms-345541.html

$$$$
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csChFnd80/01132110042D

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587841-73-4

>  <URL> (539)
http://www.selleckchem.com/products/zcl278.html

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CC-292 (AVL-292)

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CC-292

>  <Target> (540)
BTK

>  <Form> (540)
Free Base

>  <CAS> (540)
1202757-89-8

>  <URL> (540)
http://www.selleckchem.com/products/avl-292.html

$$$$
AZ191.cdx
csChFnd80/01132110042D

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N/A

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DYRK

>  <Form> (541)
Free Base

>  <URL> (541)
http://www.selleckchem.com/products/az191.html

$$$$
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542

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C28H32N4O3

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JAK

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Free Base

>  <CAS> (542)
937272-79-2

>  <URL> (542)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
Sorafenib.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (543)
543

>  <Formula> (543)
C21H16ClF3N4O3

>  <MolWeight> (543)
464.8249496

>  <Cat> (543)
S7397

>  <Name> (543)
Sorafenib

>  <Synonyms> (543)
BAY 43-9006

>  <Target> (543)
Raf

>  <Form> (543)
Free Base

>  <CAS> (543)
284461-73-0

>  <URL> (543)
http://www.selleckchem.com/products/sorafenib.html

$$$$
PF-562271.cdx
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>  <Mol_ID> (544)
544

>  <Formula> (544)
C21H21ClF3N7O3S

>  <MolWeight> (544)
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>  <Cat> (544)
S7357

>  <Name> (544)
PF-562271 HCl

>  <Synonyms> (544)
N/A

>  <Target> (544)
FAK

>  <Form> (544)
Hydrochloride

>  <URL> (544)
http://www.selleckchem.com/products/pf-562271-hcl.html

$$$$
TG003.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (545)
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249.3287

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TG003

>  <Synonyms> (545)
N/A

>  <Target> (545)
CDK

>  <Form> (545)
Free Base

>  <CAS> (545)
300801-52-9

>  <URL> (545)
http://www.selleckchem.com/products/tg003.html

$$$$
WZ4003.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (546)
546

>  <Formula> (546)
C25H29ClN6O3

>  <MolWeight> (546)
496.98916

>  <Cat> (546)
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>  <Name> (546)
WZ4003

>  <Synonyms> (546)
N/A

>  <Target> (546)
AMPK

>  <Form> (546)
Free Base

>  <CAS> (546)
1214265-58-3

>  <URL> (546)
http://www.selleckchem.com/products/wz4003.html

$$$$
ID-8.cdx
csChFnd80/01132110042D

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DYRK

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147591-46-6

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http://www.selleckchem.com/products/id-8.html

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N/A

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ALK

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Free Base

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1097917-15-1

>  <URL> (548)
http://www.selleckchem.com/products/asp3026.html

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N/A

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>  <Form> (549)
Free Base

>  <CAS> (549)
14003-96-4

>  <URL> (549)
http://www.selleckchem.com/products/4u8c.html

$$$$
AZ20.cdx
csChFnd80/01132110042D

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550

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>  <Cat> (550)
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ATM/ATR

>  <Form> (550)
Free Base

>  <CAS> (550)
1233339-22-4

>  <URL> (550)
http://www.selleckchem.com/products/az20.html

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1337532-29-2

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http://www.selleckchem.com/products/gsk2656157.html

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Aurora Kinase

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Free Base

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885325-71-3

>  <URL> (557)
http://www.selleckchem.com/products/mk-8745.html

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315706-13-9

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>  <Mol_ID> (560)
560

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C27H45IN2

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NH125

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N/A

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CaMK

>  <Form> (560)
iodide

>  <CAS> (560)
278603-08-0

>  <URL> (560)
http://www.selleckchem.com/products/nh125.html

$$$$
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>  <Mol_ID> (561)
561

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Sal003

>  <Synonyms> (561)
N/A

>  <Target> (561)
phosphatase

>  <Form> (561)
Free Base

>  <CAS> (561)
1164470-53-4

>  <URL> (561)
http://www.selleckchem.com/products/sal003.html

$$$$
LDN193189 HCl.cdx
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>  <Mol_ID> (562)
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>  <Formula> (562)
C25H23ClN6

>  <MolWeight> (562)
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>  <Name> (562)
LDN193189 HCl

>  <Synonyms> (562)
N/A

>  <Target> (562)
TGF-beta/Smad

>  <Form> (562)
Hydrochloride

>  <CAS> (562)
1062368-62-0

>  <URL> (562)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
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C13H12N4O2S2

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SKLB1002

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VEGFR

>  <Form> (563)
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>  <CAS> (563)
1225451-84-2

>  <URL> (563)
http://www.selleckchem.com/products/sklb1002.html

$$$$
1-Azakenpaullone.cdx
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>  <URL> (564)
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252017-04-2

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M  END
>  <Mol_ID> (569)
569

>  <Formula> (569)
C22H16N4O

>  <MolWeight> (569)
352.38864

>  <Cat> (569)
S7148

>  <Name> (569)
ML347

>  <Synonyms> (569)
N/A

>  <Target> (569)
TGF-beta/Smad

>  <Form> (569)
Free Base

>  <CAS> (569)
1062368-49-3

>  <URL> (569)
http://www.selleckchem.com/products/ml347.html

$$$$
GS-9973.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (570)
570

>  <Formula> (570)
C23H21N7O

>  <MolWeight> (570)
411.45914

>  <Cat> (570)
S7523

>  <Name> (570)
Entospletinib (GS-9973)

>  <Synonyms> (570)
N/A

>  <Target> (570)
Syk

>  <Form> (570)
Free Base

>  <CAS> (570)
1229208-44-9

>  <URL> (570)
http://www.selleckchem.com/products/gs-9973.html

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (571)
571

>  <Formula> (571)
C17H22Cl2N2O3S

>  <MolWeight> (571)
405.33918

>  <Cat> (571)
S7333

>  <Name> (571)
K-Ras(G12C) inhibitor 6

>  <Synonyms> (571)
N/A

>  <Target> (571)
Rho

>  <Form> (571)
Free Base

>  <CAS> (571)
No

>  <URL> (571)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
DMH1.cdx
csChFnd80/01132110042D

 29 33  0  0  0  0  0  0  0  0999 V2000
    6.0496    5.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (572)
572

>  <Formula> (572)
C24H20N4O

>  <MolWeight> (572)
380.4418

>  <Cat> (572)
S7146

>  <Name> (572)
DMH1

>  <Synonyms> (572)
N/A

>  <Target> (572)
TGF-beta/Smad

>  <Form> (572)
Free Base

>  <CAS> (572)
1206711-16-1

>  <URL> (572)
http://www.selleckchem.com/products/dmh1.html

$$$$
LDN-212854.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (581)
581

>  <Formula> (581)
C22H26FN3O2

>  <MolWeight> (581)
383.4591432

>  <Cat> (581)
S7215

>  <Name> (581)
Losmapimod

>  <Synonyms> (581)
GW856553X, GW856553, GSK-AHAB

>  <Target> (581)
p38 MAPK

>  <Form> (581)
Free Base

>  <CAS> (581)
585543-15-3

>  <URL> (581)
http://www.selleckchem.com/products/losmapimod.html

$$$$
GNE-0877.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (582)
582

>  <Formula> (582)
C14H16F3N7

>  <MolWeight> (582)
339.3189496

>  <Cat> (582)
S7367

>  <Name> (582)
GNE-0877

>  <Synonyms> (582)
N/A

>  <Target> (582)
Others

>  <Form> (582)
Free Base

>  <CAS> (582)
1374828-69-9

>  <URL> (582)
http://www.selleckchem.com/products/gne-0877.html

$$$$
UNC2881.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (583)
583

>  <Formula> (583)
C25H33N7O2

>  <MolWeight> (583)
463.57522

>  <Cat> (583)
S7325

>  <Name> (583)
UNC2881

>  <Synonyms> (583)
N/A

>  <Target> (583)
TAM Receptor

>  <Form> (583)
Free Base

>  <CAS> (583)
1493764-08-1

>  <URL> (583)
http://www.selleckchem.com/products/unc2881.html

$$$$
PF-543 .cdx
csChFnd80/01132110042D

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>  <Mol_ID> (584)
584

>  <Formula> (584)
C27H31NO4S

>  <MolWeight> (584)
465.60434

>  <Cat> (584)
S7177

>  <Name> (584)
PF-543

>  <Synonyms> (584)
N/A

>  <Target> (584)
S1P Receptor

>  <Form> (584)
Free Base

>  <CAS> (584)
1415562-82-1

>  <URL> (584)
http://www.selleckchem.com/products/pf-543.html

$$$$
AZD1208.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (585)
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>  <Formula> (585)
C21H21N3O2S

>  <MolWeight> (585)
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>  <Cat> (585)
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>  <Name> (585)
AZD1208

>  <Synonyms> (585)
N/A

>  <Target> (585)
Pim

>  <Form> (585)
Free Base

>  <CAS> (585)
1204144-28-4

>  <URL> (585)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/01132110042D

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    6.7320    1.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (586)
586

>  <Formula> (586)
C26H25Cl2N3O3

>  <MolWeight> (586)
498.401

>  <Cat> (586)
S7041

>  <Name> (586)
CX-6258 HCl

>  <Synonyms> (586)
N/A

>  <Target> (586)
Pim

>  <Form> (586)
Hydrochloride

>  <CAS> (586)
1353859-00-3

>  <URL> (586)
http://www.selleckchem.com/products/CX-6258.html

$$$$
EHT 1864.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (587)
587

>  <Formula> (587)
C25H29Cl2F3N2O4S

>  <MolWeight> (587)
581.4749696

>  <Cat> (587)
S7482

>  <Name> (587)
EHT 1864 2HCl

>  <Synonyms> (587)
N/A

>  <Target> (587)
Rho

>  <Form> (587)
Dihydrochloride

>  <CAS> (587)
754240-09-0

>  <URL> (587)
http://www.selleckchem.com/products/eht-1864.html

$$$$
EMD 1214063.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (588)
588

>  <Formula> (588)
C29H28N6O2

>  <MolWeight> (588)
492.57162

>  <Cat> (588)
S7067

>  <Name> (588)
Tepotinib (EMD 1214063)

>  <Synonyms> (588)
N/A

>  <Target> (588)
c-Met

>  <Form> (588)
Free Base

>  <CAS> (588)
1100598-32-0

>  <URL> (588)
http://www.selleckchem.com/products/emd-1214063.html

$$$$
LDC000067.cdx
csChFnd80/01132110042D

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CDK

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Free Base

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1073485-20-7

>  <URL> (589)
http://www.selleckchem.com/products/ldc000067.html

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XMD8-92.cdx
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ERK

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1234480-50-2

>  <URL> (590)
http://www.selleckchem.com/products/xmd8-92.html

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IWP-2.cdx
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Wnt/beta-catenin

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Free Base

>  <CAS> (591)
686770-61-6

>  <URL> (591)
http://www.selleckchem.com/products/iwp-2.html

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>  <URL> (592)
http://www.selleckchem.com/products/cgi1746.html

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S7269

>  <Name> (597)
PD173955

>  <Synonyms> (597)
N/A 

>  <Target> (597)
Bcr-Abl

>  <Form> (597)
Free Base

>  <CAS> (597)
260415-63-2

>  <URL> (597)
http://www.selleckchem.com/products/pd173955.html

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (598)
598

>  <Formula> (598)
C16H21ClIN3O4S

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>  <Cat> (598)
S7332

>  <Name> (598)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (598)
N/A

>  <Target> (598)
Rho

>  <Form> (598)
Free Base

>  <CAS> (598)
1469337-91-4

>  <URL> (598)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
Zotarolimus.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (599)
599

>  <Formula> (599)
C52H79N5O12

>  <MolWeight> (599)
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>  <Cat> (599)
S7091

>  <Name> (599)
Zotarolimus (ABT-578)

>  <Synonyms> (599)
N/A

>  <Target> (599)
mTOR

>  <Form> (599)
Free Base

>  <CAS> (599)
221877-54-9

>  <URL> (599)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

$$$$
Go6976.cdx
csChFnd80/01132110042D

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N/A

>  <Target> (600)
PKC

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Free Base

>  <CAS> (600)
136194-77-9

>  <URL> (600)
http://www.selleckchem.com/products/go6976.html

$$$$
WH-4-023.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (601)
601

>  <Formula> (601)
C32H36N6O4

>  <MolWeight> (601)
568.66604

>  <Cat> (601)
S7565

>  <Name> (601)
WH-4-023

>  <Synonyms> (601)
KIN001-112

>  <Target> (601)
Src

>  <Form> (601)
Free Base

>  <CAS> (601)
837422-57-8

>  <URL> (601)
http://www.selleckchem.com/products/wh-4-023.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (602)
602

>  <Formula> (602)
C19H17NO3

>  <MolWeight> (602)
307.34318

>  <Cat> (602)
S7310

>  <Name> (602)
SF1670 (PTEN inhibitor)

>  <Synonyms> (602)
N/A

>  <Target> (602)
PTEN

>  <Form> (602)
Free Base

>  <CAS> (602)
345630-40-2

>  <URL> (602)
http://www.selleckchem.com/products/sf1670.html

$$$$
IM-12.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (603)
603

>  <Formula> (603)
C22H20FN3O2

>  <MolWeight> (603)
377.4115032

>  <Cat> (603)
S7566

>  <Name> (603)
IM-12

>  <Synonyms> (603)
N/A

>  <Target> (603)
GSK-3

>  <Form> (603)
Free Base

>  <CAS> (603)
1129669-05-1

>  <URL> (603)
http://www.selleckchem.com/products/im-12.html

$$$$
deltarasin.cdx
csChFnd80/01132110042D

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1440898-61-2

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    3.6373   11.2000    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
    6.0622   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  5  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 10 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  2  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (608)
608

>  <Formula> (608)
C21H23N5O3S

>  <MolWeight> (608)
425.50402

>  <Cat> (608)
S7605

>  <Name> (608)
Filgotinib£¨GLPG0643)

>  <Synonyms> (608)
N/A

>  <Target> (608)
JAK

>  <Form> (608)
Free Base

>  <CAS> (608)
1206161-97-8

>  <URL> (608)
http://www.selleckchem.com/products/filgotinib.html

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/01132110042D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 I   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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 N   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
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    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
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  2 10  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
 12 14  2  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
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (609)
609

>  <Formula> (609)
C15H17ClIN3O3

>  <MolWeight> (609)
449.67125

>  <Cat> (609)
S7331

>  <Name> (609)
K-Ras(G12C) inhibitor 12

>  <Synonyms> (609)
N/A

>  <Target> (609)
Rho

>  <Form> (609)
Free Base

>  <CAS> (609)
1469337-95-8

>  <URL> (609)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

$$$$
Anacardic Acid.cdx
csChFnd80/01132110042D

 25 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 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
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
   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
   13.3368    0.0000    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
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    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
  6  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
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (610)
610

>  <Formula> (610)
C22H36O3

>  <MolWeight> (610)
348.51944

>  <Cat> (610)
S7582

>  <Name> (610)
Anacardic Acid

>  <Synonyms> (610)
6-pentadecylsalicylic Acid

>  <Target> (610)
Histone Acetyltransferase

>  <Form> (610)
Free Base

>  <CAS> (610)
16611-84-0

>  <URL> (610)
http://www.selleckchem.com/products/anacardic-acid.html

$$$$
GNF5837.cdx
csChFnd80/01132110042D

 39 43  0  0  0  0  0  0  0  0999 V2000
    9.6702    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8826    2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8826    5.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4652    4.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4652    3.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6776    2.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8901    3.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8901    4.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6776    5.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3075    5.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3075    2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2216    2.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0445    4.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2216    5.1668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4445    4.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6542    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0236    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    5.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    5.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    3.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7371    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.8298    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.1322    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0495    2.6395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   20.5930    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9853    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2764    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0640    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  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
 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
  5 19  1  0  0  0  0
  4 20  1  0  0  0  0
 19 13  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 22 24  2  0  0  0  0
 21 25  2  0  0  0  0
 25 26  1  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
 28 30  2  0  0  0  0
 11 29  1  0  0  0  0
  7 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 10 35  1  0  0  0  0
 26 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 26  2  0  0  0  0
M  END
>  <Mol_ID> (611)
611

>  <Formula> (611)
C28H21F4N5O2

>  <MolWeight> (611)
535.4922528

>  <Cat> (611)
S7519

>  <Name> (611)
GNF-5837

>  <Synonyms> (611)
N/A

>  <Target> (611)
Trk receptor

>  <Form> (611)
Free Base

>  <CAS> (611)
1033769-28-6

>  <URL> (611)
http://www.selleckchem.com/products/gnf-5837.html

$$$$
WS6 .cdx
csChFnd80/01132110042D

 41 45  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    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
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 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    3.5000    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
    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    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
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    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    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (620)
620

>  <Formula> (620)
C27H35F2N7O3

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S7248

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Ro3280

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Ro5203280

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PLK

>  <Form> (620)
Free Base

>  <CAS> (620)
1062243-51-9

>  <URL> (620)
http://www.selleckchem.com/products/ro3280.html

$$$$
LM-3146 BAY 11-7085.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (621)
621

>  <Formula> (621)
C13H15NO2S

>  <MolWeight> (621)
249.3287

>  <Cat> (621)
S7352

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Bay 11-7085

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Bay 11-7083

>  <Target> (621)
I¦ÊB/IKK

>  <Form> (621)
Free Base

>  <CAS> (621)
196309-76-9

>  <URL> (621)
http://www.selleckchem.com/products/bay-11-7085.html

$$$$
JNK Inhibitor IX.cdx
csChFnd80/01132110042D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (622)
622

>  <Formula> (622)
C20H16N2OS

>  <MolWeight> (622)
332.41884

>  <Cat> (622)
S7508

>  <Name> (622)
JNK inhibitor IX

>  <Synonyms> (622)
TCS JNK 5a

>  <Target> (622)
JNK

>  <Form> (622)
Free Base

>  <CAS> (622)
312917-14-9

>  <URL> (622)
http://www.selleckchem.com/products/jnk-inhibitor-ix.html

$$$$
WS3.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (623)
623

>  <Formula> (623)
C28H30F3N7O3

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>  <Cat> (623)
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WS3

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N/A

>  <Target> (623)
I¦ÊB/IKK

>  <Form> (623)
Free Base

>  <CAS> (623)
1421227-52-2

>  <URL> (623)
http://www.selleckchem.com/products/ws3.html

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/01132110042D

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1454846-35-5

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no

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M  END
>  <Mol_ID> (629)
629

>  <Formula> (629)
C22H22O8

>  <MolWeight> (629)
414.40528

>  <Cat> (629)
S7668

>  <Name> (629)
Picropodophyllin (PPP)

>  <Synonyms> (629)
AXL1717

>  <Target> (629)
IGF-1R

>  <Form> (629)
Free Base

>  <CAS> (629)
477-47-4

>  <URL> (629)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

$$$$
Reversine.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (630)
630

>  <Formula> (630)
C21H27N7O

>  <MolWeight> (630)
393.48538

>  <Cat> (630)
S7588

>  <Name> (630)
Reversine

>  <Synonyms> (630)
N/A

>  <Target> (630)
Adenosine Receptor

>  <Form> (630)
Free Base

>  <CAS> (630)
656820-32-5

>  <URL> (630)
http://www.selleckchem.com/products/reversine.html

$$$$
SU 9516.cdx
csChFnd80/01132110042D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (631)
631

>  <Formula> (631)
C13H11N3O2

>  <MolWeight> (631)
241.24534

>  <Cat> (631)
S7636

>  <Name> (631)
SU9516

>  <Synonyms> (631)
N/A

>  <Target> (631)
CDK

>  <Form> (631)
Free Base

>  <CAS> (631)
377090-84-1

>  <URL> (631)
http://www.selleckchem.com/products/su9516.html

$$$$
Piperlongumine.cdx
csChFnd80/01132110042D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (632)
632

>  <Formula> (632)
C17H19NO5

>  <MolWeight> (632)
317.33646

>  <Cat> (632)
S7551

>  <Name> (632)
Piperlongumine

>  <Synonyms> (632)
PPLGM

>  <Target> (632)
ROS,CRM

>  <Form> (632)
Free Base

>  <CAS> (632)
20069-09-4

>  <URL> (632)
http://www.selleckchem.com/products/piperlongumine.html

$$$$
AT13148.cdx
csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (633)
633

>  <Formula> (633)
C17H16ClN3O

>  <MolWeight> (633)
313.78144

>  <Cat> (633)
S7563

>  <Name> (633)
AT13148

>  <Synonyms> (633)
N/A

>  <Target> (633)
Akt

>  <Form> (633)
Free Base

>  <CAS> (633)
1056901-62-2

>  <URL> (633)
http://www.selleckchem.com/products/at13148.html

$$$$
PF-431396.cdx
csChFnd80/01132110042D

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FAK

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Free Base

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717906-29-1

>  <URL> (634)
http://www.selleckchem.com/products/pf-431396.html

$$$$
PND-1186 (VS-471).cdx
csChFnd80/01132110042D

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>  <Synonyms> (635)
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>  <Target> (635)
FAK

>  <Form> (635)
Free Base

>  <CAS> (635)
1061353-68-1

>  <URL> (635)
http://www.selleckchem.com/products/pnd-1186-vs-4718.html

$$$$
Defactinib.cdx
csChFnd80/01132110042D

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636

>  <Formula> (636)
C20H21F3N8O3S

>  <MolWeight> (636)
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>  <Cat> (636)
S7654

>  <Name> (636)
Defactinib (VS-6063, PF-04554878)

>  <Synonyms> (636)
VS-6063, PF-04554878

>  <Target> (636)
FAK

>  <Form> (636)
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>  <CAS> (636)
1073154-85-4

>  <URL> (636)
http://www.selleckchem.com/products/defactinib.html

$$$$
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>  <Target> (637)
LRRK2

>  <Form> (637)
Free Base

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1285515-21-0

>  <URL> (637)
http://www.selleckchem.com/products/gsk2578215a.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/01132110042D

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638

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C23H21Cl2FN4O3

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Poziotinib (HM781-36B)

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NOV120101

>  <Target> (638)
EGFR

>  <Form> (638)
Free Base

>  <CAS> (638)
1092364-38-9

>  <URL> (638)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

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LY2584702.cdx
csChFnd80/01132110042D

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C21H19F4N7

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N/A

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S6 Kinase

>  <Form> (639)
Free Base

>  <CAS> (639)
1082949-67-4

>  <URL> (639)
http://www.selleckchem.com/products/ly2584702.html

$$$$
PI-3065.cdx
csChFnd80/01132110042D

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>  <Synonyms> (640)
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>  <Target> (640)
PI3K

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>  <CAS> (640)
955977-50-1

>  <URL> (640)
http://www.selleckchem.com/products/pi-3065.html

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C24H28Cl2N2O4

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SBE 13 HCl

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N/A

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PLK

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Hydrochloride

>  <CAS> (641)
1052532-15-6

>  <URL> (641)
http://www.selleckchem.com/products/sbe-13-hcl.html

$$$$
Bikinin.cdx
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Bikinin

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N/A

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GSK-3

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Free Base

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188011-69-0

>  <URL> (642)
http://www.selleckchem.com/products/bikinin.html

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Salirasib.cdx
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643

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C22H30O2S

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Salirasib

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N/A

>  <Target> (643)
Rho

>  <Form> (643)
Free Base

>  <CAS> (643)
162520-00-5

>  <URL> (643)
http://www.selleckchem.com/products/salirasib.html

$$$$
SD208.cdx
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644

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N/A

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TGF-beta/Smad

>  <Form> (644)
Free Base

>  <CAS> (644)
627536-09-8

>  <URL> (644)
http://www.selleckchem.com/products/sd-208.html

$$$$
LFM-A13.cdx
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645

>  <Formula> (645)
C11H8Br2N2O2

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LFM-A13

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N/A

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BTK

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Free Base

>  <CAS> (645)
244240-24-2

>  <URL> (645)
http://www.selleckchem.com/products/lfm-a13.html

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1361030-48-9

>  <URL> (646)
http://www.selleckchem.com/products/ldc1267.html

$$$$
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LY2584702 tosylate

>  <Synonyms> (647)
N/A

>  <Target> (647)
S6 Kinase

>  <Form> (647)
Free Base

>  <CAS> (647)
1082949-68-5

>  <URL> (647)
http://www.selleckchem.com/products/ly2584702-tosylate.html

$$$$
RN486.cdx
csChFnd80/01132110042D

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N/A

>  <Target> (648)
BTK

>  <Form> (648)
Free Base

>  <CAS> (648)
no

>  <URL> (648)
http://www.selleckchem.com/products/rn486.html

$$$$
Dovitinib Lactate.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (649)
649

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C24H27FN6O4

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N/A

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FLT3

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>  <Mol_ID> (654)
654

>  <Formula> (654)
C22H21N3O3S

>  <MolWeight> (654)
407.48544

>  <Cat> (654)
S7745

>  <Name> (654)
ANA-12

>  <Synonyms> (654)
N/A

>  <Target> (654)
Trk receptor

>  <Form> (654)
Free Base

>  <CAS> (654)
219766-25-3

>  <URL> (654)
http://www.selleckchem.com/products/ana-12.html

$$$$
LM-3573.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (655)
655

>  <Formula> (655)
C22H28ClN7O3S

>  <MolWeight> (655)
506.02082

>  <Cat> (655)
S7782

>  <Name> (655)
Dasatinib Monohydrate

>  <Synonyms> (655)
BMS-354825 Monohydrate

>  <Target> (655)
Src

>  <Form> (655)
Monohydrate

>  <CAS> (655)
863127-77-9

>  <URL> (655)
http://www.selleckchem.com/products/dasatinib-monohydrate.html

$$$$
LM-3572.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (656)
656

>  <Formula> (656)
C22H27FN4O2

>  <MolWeight> (656)
398.4737832

>  <Cat> (656)
S7781

>  <Name> (656)
Sunitinib

>  <Synonyms> (656)
SU11248

>  <Target> (656)
PDGFR

>  <Form> (656)
Free Base

>  <CAS> (656)
557795-19-4

>  <URL> (656)
http://www.selleckchem.com/products/sunitinib.html

$$$$
Erlotinib free Base.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (657)
657

>  <Formula> (657)
C22H23N3O4

>  <MolWeight> (657)
393.43572

>  <Cat> (657)
S7786

>  <Name> (657)
Erlotinib

>  <Synonyms> (657)
CP358774, NSC 718781

>  <Target> (657)
EGFR

>  <Form> (657)
Free Base

>  <CAS> (657)
183321-74-6

>  <URL> (657)
http://www.selleckchem.com/products/erlotinib.html

$$$$
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csChFnd80/01132110042D

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    6.0593    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
M  END
>  <Mol_ID> (658)
658

>  <Formula> (658)
C18H13BrN4O

>  <MolWeight> (658)
381.22602

>  <Cat> (658)
S7557

>  <Name> (658)
CL-387785 (EKI-785)

>  <Synonyms> (658)
N/A

>  <Target> (658)
EGFR

>  <Form> (658)
Free Base

>  <CAS> (658)
194423-06-8

>  <URL> (658)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (659)
659

>  <Formula> (659)
C24H30ClN7O2

>  <MolWeight> (659)
483.9937

>  <Cat> (659)
S1116

>  <Name> (659)
PD 0332991 (Palbociclib) HCl

>  <Synonyms> (659)
N/A

>  <Target> (659)
CDK

>  <Form> (659)
Hydrochloride

>  <CAS> (659)
827022-32-2, 571190-30-2 (free base)

>  <URL> (659)
http://www.selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (660)
660

>  <Formula> (660)
C26H35N7O6S

>  <MolWeight> (660)
573.6644

>  <Cat> (660)
S1579

>  <Name> (660)
PD 0332991 (Palbociclib) Isethionate

>  <Synonyms> (660)
N/A

>  <Target> (660)
CDK

>  <Form> (660)
Isethionate

>  <CAS> (660)
827022-33-3, 571190-30-2(free base)

>  <URL> (660)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
STF-083010.cdx
csChFnd80/01132110042D

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 10  5  1  0  0  0  0
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 13 21  2  0  0  0  0
M  END
>  <Mol_ID> (661)
661

>  <Formula> (661)
C15H11NO3S2

>  <MolWeight> (661)
317.38274

>  <Cat> (661)
S7771

>  <Name> (661)
STF-083010

>  <Synonyms> (661)
N/A

>  <Target> (661)
Others

>  <Form> (661)
Free Base

>  <CAS> (661)
307543-71-1

>  <URL> (661)
http://www.selleckchem.com/products/stf-083010.html

$$$$
FRAX597.cdx
csChFnd80/01132110042D

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N/A

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PAK

>  <Form> (662)
Free Base

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1286739-19-2

>  <URL> (662)
http://www.selleckchem.com/products/frax597.html

$$$$
Ro-3306.cdx
csChFnd80/01132110042D

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>  <Synonyms> (663)
N/A

>  <Target> (663)
CDK

>  <Form> (663)
Free Base

>  <CAS> (663)
872573-93-8

>  <URL> (663)
http://www.selleckchem.com/products/ro-3306.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (664)
664

>  <Formula> (664)
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>  <Cat> (664)
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>  <Name> (664)
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>  <Synonyms> (664)
N/A

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EGFR

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>  <CAS> (664)
850140-73-7

>  <URL> (664)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
LY2409881.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (665)
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C24H32Cl4N6OS

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S7697

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LY2409881

>  <Synonyms> (665)
N/A

>  <Target> (665)
I¦ÊB/IKK

>  <Form> (665)
Trihydrochloride

>  <CAS> (665)
946518-60-1

>  <URL> (665)
http://www.selleckchem.com/products/ly2409881.html

$$$$
Afuresertib £¨GSK2110183).cdx
csChFnd80/01132110042D

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>  <Mol_ID> (666)
666

>  <Formula> (666)
C18H17Cl2FN4OS

>  <MolWeight> (666)
427.3231832

>  <Cat> (666)
S7521

>  <Name> (666)
Afuresertib (GSK2110183)

>  <Synonyms> (666)
N/A

>  <Target> (666)
Akt

>  <Form> (666)
Free Base

>  <CAS> (666)
1047644-62-1

>  <URL> (666)
http://www.selleckchem.com/products/afuresertib-gsk2110183.html

$$$$
GNE-317.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (667)
667

>  <Formula> (667)
C19H22N6O3S

>  <MolWeight> (667)
414.48138

>  <Cat> (667)
S7798

>  <Name> (667)
GNE-317

>  <Synonyms> (667)
N/A

>  <Target> (667)
PI3K

>  <Form> (667)
Free Base

>  <CAS> (667)
1394076-92-6

>  <URL> (667)
http://www.selleckchem.com/products/gne-317.html

$$$$
LDN-214117.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (668)
668

>  <Formula> (668)
C25H29N3O3

>  <MolWeight> (668)
419.51606

>  <Cat> (668)
S7627

>  <Name> (668)
LDN-214117

>  <Synonyms> (668)
N/A

>  <Target> (668)
TGF-beta/Smad

>  <Form> (668)
Free Base

>  <CAS> (668)
1627503-67-6

>  <URL> (668)
http://www.selleckchem.com/products/ldn-214117.html

$$$$
Purvalanol A.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (669)
669

>  <Formula> (669)
C19H25ClN6O

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>  <Cat> (669)
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>  <Name> (669)
Purvalanol A

>  <Synonyms> (669)
N/A

>  <Target> (669)
CDK

>  <Form> (669)
Free Base

>  <CAS> (669)
212844-53-6

>  <URL> (669)
http://www.selleckchem.com/products/purvalanol-a.html

$$$$
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csChFnd80/01132110042D

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883986-34-3

>  <URL> (670)
http://www.selleckchem.com/products/azd2932.html

$$$$
Anisomycin.cdx
csChFnd80/01132110042D

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Flagecidin 

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JNK

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Free Base

>  <CAS> (671)
22862-76-6

>  <URL> (671)
http://www.selleckchem.com/products/anisomycin.html

$$$$
MHY1485.cdx
csChFnd80/01132110042D

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mTOR

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Free Base

>  <CAS> (672)
326914-06-1

>  <URL> (672)
http://www.selleckchem.com/products/mhy1485.html

$$$$
ERK5-IN-1.cdx
csChFnd80/01132110042D

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1435488-37-1

>  <URL> (673)
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Free Base

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934526-89-3

>  <URL> (676)
http://www.selleckchem.com/products/pilaralisib-xl147.html

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AT7519 HCl

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CDK

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Hydrochloride

>  <CAS> (677)
902135-91-5

>  <URL> (677)
http://www.selleckchem.com/products/at7519-hcl.html

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>  <Synonyms> (678)
N/A

>  <Target> (678)
p38 MAPK

>  <Form> (678)
Free Base

>  <CAS> (678)
945614-12-0

>  <URL> (678)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

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csChFnd80/01132110042D

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>  <Formula> (679)
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>  <MolWeight> (679)
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>  <Cat> (679)
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LY3009120

>  <Synonyms> (679)
N/A

>  <Target> (679)
Raf

>  <Form> (679)
Free Base

>  <CAS> (679)
1454682-72-4

>  <URL> (679)
http://www.selleckchem.com/products/ly3009120.html

$$$$
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>  <Mol_ID> (680)
680

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C26H28N8O

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>  <Cat> (680)
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AMPK

>  <Form> (680)
Free Base

>  <CAS> (680)
1613724-42-7

>  <URL> (680)
http://www.selleckchem.com/products/hth-01-015.html

$$$$
PLX3397.cdx
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>  <Synonyms> (681)
N/A

>  <Target> (681)
CSF-1R

>  <Form> (681)
Free Base

>  <CAS> (681)
1029044-16-3

>  <URL> (681)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

$$$$
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csChFnd80/01132110042D

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>  <Mol_ID> (682)
682

>  <Formula> (682)
C21H21F3IN3O2

>  <MolWeight> (682)
531.3100196

>  <Cat> (682)
S8041

>  <Name> (682)
Cobimetinib (GDC-0973, RG7420)

>  <Synonyms> (682)
XL518

>  <Target> (682)
MEK

>  <Form> (682)
Free Base

>  <CAS> (682)
934660-93-2

>  <URL> (682)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BVD-523.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (683)
683

>  <Formula> (683)
C21H22Cl2N4O2

>  <MolWeight> (683)
433.33098

>  <Cat> (683)
S7854

>  <Name> (683)
Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (683)
N/A

>  <Target> (683)
ERK

>  <Form> (683)
Free Base

>  <CAS> (683)
869886-67-9

>  <URL> (683)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
Dorsomorphin.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (684)
684

>  <Formula> (684)
C24H25N5O

>  <MolWeight> (684)
399.4882

>  <Cat> (684)
S7840

>  <Name> (684)
Dorsomorphin (Compound C)

>  <Synonyms> (684)
Compound C, BML-275

>  <Target> (684)
AMPK

>  <Form> (684)
Free Base

>  <CAS> (684)
866405-64-3

>  <URL> (684)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (685)
685

>  <Formula> (685)
C26H28N4O3

>  <MolWeight> (685)
444.52552

>  <Cat> (685)
S7921

>  <Name> (685)
DEL-22379

>  <Synonyms> (685)
N/A

>  <Target> (685)
ERK

>  <Form> (685)
Free Base

>  <CAS> (685)
181223-80-3

>  <URL> (685)
http://www.selleckchem.com/products/del-22379.html

$$$$
ASP015K.cdx
csChFnd80/01132110042D

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686

>  <Formula> (686)
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>  <Name> (686)
Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (686)
N/A

>  <Target> (686)
JAK

>  <Form> (686)
Free Base

>  <CAS> (686)
944118-01-8

>  <URL> (686)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
Entrectinib (RXDX-101, NMS-E628).cdx
csChFnd80/01132110042D

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>  <Mol_ID> (687)
687

>  <Formula> (687)
C31H34F2N6O2

>  <MolWeight> (687)
560.6374664

>  <Cat> (687)
S7998

>  <Name> (687)
Entrectinib (RXDX-101)

>  <Synonyms> (687)
NMS-E628

>  <Target> (687)
Trk receptor

>  <Form> (687)
Free Base

>  <CAS> (687)
1108743-60-7

>  <URL> (687)
http://www.selleckchem.com/products/entrectinib-rxdx-101.html

$$$$
CH5126766 (RO5126766).cdx
csChFnd80/01132110042D

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C21H18FN5O5S

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>  <Name> (688)
RO5126766 (CH5126766)

>  <Synonyms> (688)
N/A

>  <Target> (688)
Raf

>  <Form> (688)
Free Base

>  <CAS> (688)
946128-88-7

>  <URL> (688)
http://www.selleckchem.com/products/ro5126766-ch5126766.html

$$$$
ABC294640.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (689)
689

>  <Formula> (689)
C23H25ClN2O

>  <MolWeight> (689)
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>  <Cat> (689)
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>  <Name> (689)
ABC294640

>  <Synonyms> (689)
N/A

>  <Target> (689)
S1P Receptor

>  <Form> (689)
Free Base

>  <CAS> (689)
915385-81-8

>  <URL> (689)
http://www.selleckchem.com/products/abc294640.html

$$$$
GSK621.cdx
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944842-54-0

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M  END
>  <Mol_ID> (698)
698

>  <Formula> (698)
C21H18F2N2O2

>  <MolWeight> (698)
368.3766264

>  <Cat> (698)
S7871

>  <Name> (698)
LJI308

>  <Synonyms> (698)
N/A

>  <Target> (698)
S6 Kinase

>  <Form> (698)
Free Base

>  <CAS> (698)
1627709-94-7

>  <URL> (698)
http://www.selleckchem.com/products/lji308.html

$$$$
Radotinib (IY-5511).cdx
csChFnd80/01132110042D

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>  <Mol_ID> (699)
699

>  <Formula> (699)
C27H21F3N8O

>  <MolWeight> (699)
530.5038496

>  <Cat> (699)
S8134

>  <Name> (699)
Radotinib

>  <Synonyms> (699)
IY-5511

>  <Target> (699)
Bcr-Abl

>  <Form> (699)
Free Base

>  <CAS> (699)
926037-48-1

>  <URL> (699)
http://www.selleckchem.com/products/radotinib.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (700)
700

>  <Formula> (700)
C15H23ClFN3O4S

>  <MolWeight> (700)
395.8772232

>  <Cat> (700)
S7995

>  <Name> (700)
Ripasudil (K-115)

>  <Synonyms> (700)
N/A

>  <Target> (700)
ROCK

>  <Form> (700)
Hydrochloride dihydrate

>  <CAS> (700)
887375-67-9

>  <URL> (700)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
K03861.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (701)
701

>  <Formula> (701)
C24H26F3N7O2

>  <MolWeight> (701)
501.5041496

>  <Cat> (701)
S8100

>  <Name> (701)
K03861

>  <Synonyms> (701)
N/A

>  <Target> (701)
CDK

>  <Form> (701)
Free Base

>  <CAS> (701)
853299-07-7

>  <URL> (701)
http://www.selleckchem.com/products/k03861.html

$$$$
GNF-7.cdx
csChFnd80/01132110042D

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Vps34-IN-1

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PI3K

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Free Base

>  <CAS> (710)
1383716-33-3

>  <URL> (710)
http://www.selleckchem.com/products/vps34-in1.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (711)
711

>  <Formula> (711)
C10H8N2O3

>  <MolWeight> (711)
204.18212

>  <Cat> (711)
S1054

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AG99

>  <Synonyms> (711)
Tyrphostin 46,Tyrphostin A46,Tyrphostin B40

>  <Target> (711)
EGFR

>  <Form> (711)
Free Base

>  <CAS> (711)
122520-85-8

>  <URL> (711)
http://www.selleck.cn/products/ag99.html

$$$$
Kenpaullone.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (712)
712

>  <Formula> (712)
C16H11BrN2O

>  <MolWeight> (712)
327.17534

>  <Cat> (712)
S7917

>  <Name> (712)
Kenpaullone

>  <Synonyms> (712)
N/A

>  <Target> (712)
CDK

>  <Form> (712)
Free Base

>  <CAS> (712)
142273-20-9

>  <URL> (712)
http://www.selleckchem.com/products/kenpaullone.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (713)
713

>  <Formula> (713)
C19H27N5O6S

>  <MolWeight> (713)
453.51258

>  <Cat> (713)
S8195

>  <Name> (713)
Oclacitinib maleate

>  <Synonyms> (713)
PF-03394197

>  <Target> (713)
JAK

>  <Form> (713)
Free Base

>  <CAS> (713)
1640292-55-2

>  <URL> (713)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
MLN2480.cdx
csChFnd80/01132110042D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (714)
714

>  <Formula> (714)
C17H12Cl2F3N7O2S

>  <MolWeight> (714)
506.2890896

>  <Cat> (714)
S7121

>  <Name> (714)
MLN2480

>  <Synonyms> (714)
BIIB-024

>  <Target> (714)
Raf

>  <Form> (714)
Free Base

>  <CAS> (714)
1096708-71-2

>  <URL> (714)
http://www.selleckchem.com/products/mln2480.html

$$$$
Acalabrutinib.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (715)
715

>  <Formula> (715)
C26H23N7O2

>  <MolWeight> (715)
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>  <Cat> (715)
S8116

>  <Name> (715)
Acalabrutinib (ACP-196)

>  <Synonyms> (715)
N/A

>  <Target> (715)
BTK

>  <Form> (715)
Free Base

>  <CAS> (715)
1420477-60-6

>  <URL> (715)
http://www.selleckchem.com/products/acalabrutinib.html

$$$$
PIK-III.cdx
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>  <Mol_ID> (716)
716

>  <Formula> (716)
C17H17N7

>  <MolWeight> (716)
319.36378

>  <Cat> (716)
S7683

>  <Name> (716)
PIK-III

>  <Synonyms> (716)
VPS34-IN2

>  <Target> (716)
Autophagy

>  <Form> (716)
Free Base

>  <CAS> (716)
1383716-40-2

>  <URL> (716)
http://www.selleckchem.com/products/pik-iii.html

$$$$
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>  <Mol_ID> (717)
717

>  <Formula> (717)
C26H27Cl2N5O2

>  <MolWeight> (717)
512.43088

>  <Cat> (717)
S8148

>  <Name> (717)
PD0166285

>  <Synonyms> (717)
N/A

>  <Target> (717)
Wee1

>  <Form> (717)
Free Base

>  <CAS> (717)
185039-89-8

>  <URL> (717)
http://www.selleckchem.com/products/pd0166285.html

$$$$
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>  <Mol_ID> (718)
718

>  <Formula> (718)
C22H26N6O2

>  <MolWeight> (718)
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>  <Cat> (718)
S8124

>  <Name> (718)
BMS-582949

>  <Synonyms> (718)
PS540446

>  <Target> (718)
p38 MAPK

>  <Form> (718)
Free Base

>  <CAS> (718)
623152-17-0

>  <URL> (718)
http://www.selleckchem.com/products/bms-582949.html

$$$$
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http://www.selleckchem.com/products/sgi-7079.html

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AMPK

>  <Form> (720)
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738606-46-7

>  <URL> (720)
http://www.selleckchem.com/products/etc-1002.html

$$$$
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Pluripotin (SC1)

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N/A

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ERK

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Free Base

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839707-37-8

>  <URL> (721)
http://www.selleckchem.com/products/pluripotin-sc1.html

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CDK

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2163056-91-3

>  <URL> (722)
http://www.selleck.cn/products/bi-1347.html

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M  END
>  <Mol_ID> (723)
723

>  <Formula> (723)
C24H22F2N6O3S

>  <MolWeight> (723)
512.5316864

>  <Cat> (723)
S7964

>  <Name> (723)
PLX7904

>  <Synonyms> (723)
PB04

>  <Target> (723)
Raf

>  <Form> (723)
Free Base

>  <CAS> (723)
1393465-84-3

>  <URL> (723)
http://www.selleckchem.com/products/plx7904.html

$$$$
Dihydrostreptomycin sulfate.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (724)
724

>  <Formula> (724)
C42H88N14O36S3

>  <MolWeight> (724)
1461.41532

>  <Cat> (724)
S4523

>  <Name> (724)
Dihydrostreptomycin sulfate

>  <Synonyms> (724)
N/A

>  <Target> (724)
Antifection

>  <Form> (724)
1.5Sulfate

>  <CAS> (724)
5490-27-7

>  <URL> (724)
http://www.selleckchem.com/products/dihydrostreptomycin-sulfate.html

$$$$
MRT68921.cdx
csChFnd80/01132110042D

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A   35
xHCl
M  END
>  <Mol_ID> (725)
725

>  <Formula> (725)
C26H36N6O2R

>  <MolWeight> (725)
464.60304

>  <Cat> (725)
S7948

>  <Name> (725)
MRT67307 HCl

>  <Synonyms> (725)
N/A

>  <Target> (725)
I¦ÊB/IKK

>  <Form> (725)
hydrochloride

>  <CAS> (725)
1190378-57-4 (free-base)

>  <URL> (725)
http://www.selleckchem.com/products/mrt67307.html

$$$$
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XHCl
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>  <Mol_ID> (726)
726

>  <Formula> (726)
C25H34N6OR

>  <MolWeight> (726)
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>  <Cat> (726)
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>  <Name> (726)
MRT68921 HCl

>  <Synonyms> (726)
N/A

>  <Target> (726)
Autophagy

>  <Form> (726)
hydrochloride

>  <CAS> (726)
1190379-70-4 (free base)

>  <URL> (726)
http://www.selleckchem.com/products/mrt68921.html

$$$$
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>  <MolWeight> (727)
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>  <Cat> (727)
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>  <Name> (727)
BI-78D3

>  <Synonyms> (727)
N/A

>  <Target> (727)
JNK

>  <Form> (727)
Free Base

>  <CAS> (727)
883065-90-5

>  <URL> (727)
http://www.selleckchem.com/products/bi-78d3.html

$$$$
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728

>  <Formula> (728)
C18H17NO4

>  <MolWeight> (728)
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>  <Cat> (728)
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IC261

>  <Synonyms> (728)
SU-5607

>  <Target> (728)
Casein Kinase

>  <Form> (728)
Free Base

>  <CAS> (728)
186611-52-9

>  <URL> (728)
http://www.selleckchem.com/products/ic261.html

$$$$
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>  <Mol_ID> (729)
729

>  <Formula> (729)
C21H19N3O4

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>  <Cat> (729)
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>  <Name> (729)
GSK481

>  <Synonyms> (729)
N/A

>  <Target> (729)
TNF-alpha

>  <Form> (729)
Free Base

>  <CAS> (729)
1622849-58-4

>  <URL> (729)
http://www.selleckchem.com/products/gsk481.html

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175026-96-7

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

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   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 O   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
    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 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
    3.6373    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  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
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
 11 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
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 26 29  2  0  0  0  0
  7 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  7  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (734)
734

>  <Formula> (734)
C26H26N6O2S

>  <MolWeight> (734)
486.58864

>  <Cat> (734)
S8294

>  <Name> (734)
Olmutinib (HM61713, BI 1482694)

>  <Synonyms> (734)
BI 1482694, HM61713, HM71224

>  <Target> (734)
EGFR

>  <Form> (734)
Free Base

>  <CAS> (734)
1353550-13-6

>  <URL> (734)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
5-Iodotubercidin.cdx
csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2566    6.3643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566    4.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    4.2618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831    4.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831    6.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    7.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    4.5314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    6.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    8.4642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442    0.9250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2989    0.9250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0137    1.7463    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1190    2.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    1.7463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2989    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    2.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4444    8.1241    0.0000 I   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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  1  0  0  0
 12 16  1  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 13  1  0  0  0  0
 18 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (735)
735

>  <Formula> (735)
C11H13IN4O4

>  <MolWeight> (735)
392.14979

>  <Cat> (735)
S8314

>  <Name> (735)
5-Iodotubercidin

>  <Synonyms> (735)
NSC 113939, 5-ITu

>  <Target> (735)
Adenosine Receptor

>  <Form> (735)
Free Base

>  <CAS> (735)
24386-93-4

>  <URL> (735)
http://www.selleckchem.com/products/5-iodotubercidin.html

$$$$
S4690 Vitamin E.cdx
csChFnd80/01132110042D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.6403    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    3.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8491    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0658    2.1073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2161    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2782    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036    1.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4916    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6854    1.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9256    2.1347    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1058    1.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9256    3.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3525    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    1.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7776    2.2144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9535    1.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7776    3.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2022    2.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3779    1.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6268    2.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8024    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6268    3.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0592    3.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 11  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  6  0  0  0
 24 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
 28 30  1  0  0  0  0
  7 31  1  1  0  0  0
M  END
>  <Mol_ID> (736)
736

>  <Formula> (736)
C29H50O2

>  <MolWeight> (736)
430.7061

>  <Cat> (736)
S4686

>  <Name> (736)
Vitamin E

>  <Synonyms> (736)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (736)
COX,VEGFR

>  <Form> (736)
Free Base

>  <CAS> (736)
21590

>  <URL> (736)
http://www.selleckchem.com/products/vitamin-e.html

$$$$
S4671 Cefradine.cdx
csChFnd80/01132110042D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.7806    2.8086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7806    4.2086    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4050    2.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9857    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4050    4.2086    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9888    4.9012    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4151    1.8187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2213    2.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9857    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4151    5.1986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2218    4.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4338    2.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7710    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1959    0.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0628    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0728    5.8262    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7004    3.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7205    5.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4352    7.1785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7218    6.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3463    4.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3628    6.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9884    3.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4204    5.5615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 25  1  6  0  0  0
  3  7  2  0  0  0  0
  3  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  1  0  0  0
 18 20  1  0  0  0  0
 18 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 24  1  0  0  0  0
M  END
>  <Mol_ID> (737)
737

>  <Formula> (737)
C16H19N3O4S

>  <MolWeight> (737)
349.40476

>  <Cat> (737)
S4671

>  <Name> (737)
Cefradine

>  <Synonyms> (737)
Cephradine, Sefril, Anspor, Cephradin, Velosef

>  <Target> (737)
Antifection

>  <Form> (737)
Free Base

>  <CAS> (737)
38821-53-3

>  <URL> (737)
http://www.selleckchem.com/products/cefradine.html

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/01132110042D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    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
    9.6995    5.6000    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
    7.2746    5.6000    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
  6 11  1  0  0  0  0
  1 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (738)
738

>  <Formula> (738)
C15H10O4

>  <MolWeight> (738)
254.2375

>  <Cat> (738)
S8319

>  <Name> (738)
7,8-Dihydroxyflavone

>  <Synonyms> (738)
7,8-DHF

>  <Target> (738)
Trk receptor

>  <Form> (738)
Free Base

>  <CAS> (738)
38183-03-8

>  <URL> (738)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
MLR-1023.cdx
csChFnd80/01132110042D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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41964-07-2

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http://www.selleckchem.com/products/mlr-1023.html

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GTPL8918

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Akt

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Free Base

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1386874-06-1

>  <URL> (740)
http://www.selleckchem.com/products/ly3023414.html

$$$$
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csChFnd80/01132110042D

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Selonsertib (GS-4997)

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Caspase

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Free Base

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1448428-04-3

>  <URL> (741)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

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LY333531 HCl

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PKC

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169939-93-9

>  <URL> (742)
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>  <Mol_ID> (743)
743

>  <Formula> (743)
C25H23Cl2FN6O

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513.3941232

>  <Cat> (743)
S7807

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FRAX486

>  <Synonyms> (743)
N/A

>  <Target> (743)
PAK

>  <Form> (743)
Free Base

>  <CAS> (743)
1232030-35-1

>  <URL> (743)
http://www.selleckchem.com/products/frax486.html

$$$$
VO-Ohpic.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (744)
744

>  <Formula> (744)
C12H15N2O11V

>  <MolWeight> (744)
414.1958

>  <Cat> (744)
S8174

>  <Name> (744)
VO-Ohpic trihydrate

>  <Synonyms> (744)
N/A

>  <Target> (744)
Others

>  <Form> (744)
trihydrate

>  <CAS> (744)
476310-60-8

>  <URL> (744)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
EAI045.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (745)
745

>  <Formula> (745)
C19H14FN3O3S

>  <MolWeight> (745)
383.3961632

>  <Cat> (745)
S8242

>  <Name> (745)
EAI045

>  <Synonyms> (745)
N/A

>  <Target> (745)
EGFR

>  <Form> (745)
Free Base

>  <CAS> (745)
1942114-09-1

>  <URL> (745)
http://www.selleckchem.com/products/eai045.html

$$$$
Shikonin.cdx
csChFnd80/01132110042D

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746

>  <Formula> (746)
C16H16O5

>  <MolWeight> (746)
288.29524

>  <Cat> (746)
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>  <Name> (746)
Shikonin

>  <Synonyms> (746)
N/A

>  <Target> (746)
Others

>  <Form> (746)
Free Base

>  <CAS> (746)
517-89-5

>  <URL> (746)
http://www.selleckchem.com/products/shikonin.html

$$$$
AZD8835.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (747)
747

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>  <MolWeight> (747)
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1620576-64-8

>  <URL> (747)
http://www.selleckchem.com/products/azd8835.html

$$$$
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csChFnd80/01132110042D

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N/A

>  <Target> (748)
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Free Base

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1360614-48-7

>  <URL> (748)
http://www.selleckchem.com/products/necrosulfonamide.html

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BAY-61-3606

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N/A

>  <Target> (749)
Syk

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dihydrochloride

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648903-57-5

>  <URL> (749)
http://www.selleckchem.com/products/bay-61-3606.html

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M  END
>  <Mol_ID> (751)
751

>  <Formula> (751)
C21H24F2N6O6S

>  <MolWeight> (751)
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>  <Cat> (751)
S7960

>  <Name> (751)
LOXO-101(sulfate)

>  <Synonyms> (751)
N/A

>  <Target> (751)
Trk receptor

>  <Form> (751)
sulfate

>  <CAS> (751)
1223405-08-0

>  <URL> (751)
http://www.selleckchem.com/products/loxo-101.html

$$$$
APS-2-79.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (752)
752

>  <Formula> (752)
C23H22ClN3O3

>  <MolWeight> (752)
423.89208

>  <Cat> (752)
S8355

>  <Name> (752)
APS-2-79 HCl

>  <Synonyms> (752)
N/A

>  <Target> (752)
MEK

>  <Form> (752)
hydrochloride

>  <CAS> (752)
2002381-31-7

>  <URL> (752)
http://www.selleckchem.com/products/aps-2-79.html

$$$$
NSC228155.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (753)
753

>  <Formula> (753)
C11H6N4O4S

>  <MolWeight> (753)
290.25474

>  <Cat> (753)
S8312

>  <Name> (753)
NSC228155

>  <Synonyms> (753)
N/A

>  <Target> (753)
EGFR

>  <Form> (753)
Free Base

>  <CAS> (753)
113104-25-9

>  <URL> (753)
http://www.selleckchem.com/products/nsc228155.html

$$$$
BMS-911543.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (754)
754

>  <Formula> (754)
C23H28N8O

>  <MolWeight> (754)
432.52142

>  <Cat> (754)
S7144

>  <Name> (754)
BMS-911543

>  <Synonyms> (754)
N/A

>  <Target> (754)
JAK

>  <Form> (754)
Free Base

>  <CAS> (754)
1271022-90-2

>  <URL> (754)
http://www.selleckchem.com/products/bms-911543.html

$$$$
Deguelin.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (755)
755

>  <Formula> (755)
C23H22O6

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>  <Cat> (755)
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>  <Name> (755)
Deguelin

>  <Synonyms> (755)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (755)
Akt

>  <Form> (755)
Free Base

>  <CAS> (755)
522-17-8

>  <URL> (755)
http://www.selleckchem.com/products/deguelin.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (756)
756

>  <Formula> (756)
C22H15F3N4O2

>  <MolWeight> (756)
424.3753096

>  <Cat> (756)
S8189

>  <Name> (756)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (756)
N/A

>  <Target> (756)
VEGFR

>  <Form> (756)
Free Base

>  <CAS> (756)
861875-60-7

>  <URL> (756)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (757)
757

>  <Formula> (757)
C19H20F2N4O4

>  <MolWeight> (757)
406.3833064

>  <Cat> (757)
S8125

>  <Name> (757)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (757)
N/A

>  <Target> (757)
p38 MAPK

>  <Form> (757)
Free Base

>  <CAS> (757)
449811-01-2

>  <URL> (757)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
OICR-9429.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (758)
758

>  <Formula> (758)
C29H32F3N5O3

>  <MolWeight> (758)
555.5912896

>  <Cat> (758)
S7833

>  <Name> (758)
OICR-9429

>  <Synonyms> (758)
N/A

>  <Target> (758)
Histone Methyltransferase

>  <Form> (758)
Free Base

>  <CAS> (758)
1801787-56-3

>  <URL> (758)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
BFH772.cdx
csChFnd80/01132110042D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (759)
759

>  <Formula> (759)
C23H16F3N3O3

>  <MolWeight> (759)
439.3866496

>  <Cat> (759)
S8188

>  <Name> (759)
BFH772

>  <Synonyms> (759)
BFH 772, BFH-772

>  <Target> (759)
VEGFR

>  <Form> (759)
Free Base

>  <CAS> (759)
890128-81-1

>  <URL> (759)
http://www.selleckchem.com/products/bfh772.html

$$$$
GSK269962.cdx
csChFnd80/01132110042D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (760)
760

>  <Formula> (760)
C29H31ClN8O5

>  <MolWeight> (760)
607.06004

>  <Cat> (760)
S7687

>  <Name> (760)
GSK269962 HCl

>  <Synonyms> (760)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (760)
ROCK

>  <Form> (760)
hydrochloride

>  <CAS> (760)
850664-21-0(free base)

>  <URL> (760)
http://www.selleckchem.com/products/gsk269962.html

$$$$
NT157.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (761)
761

>  <Formula> (761)
C16H14BrNO5S

>  <MolWeight> (761)
412.25506

>  <Cat> (761)
S8228

>  <Name> (761)
NT157

>  <Synonyms> (761)
N/A

>  <Target> (761)
IGF-1R

>  <Form> (761)
Free Base

>  <CAS> (761)
1384426-12-3

>  <URL> (761)
http://www.selleckchem.com/products/nt157.html

$$$$
RO9021.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (762)
762

>  <Formula> (762)
C18H25N7O

>  <MolWeight> (762)
355.4374

>  <Cat> (762)
S7286

>  <Name> (762)
RO9021

>  <Synonyms> (762)
N/A

>  <Target> (762)
Syk

>  <Form> (762)
Free Base

>  <CAS> (762)
1446790-62-0

>  <URL> (762)
http://www.selleckchem.com/products/ro9021.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (763)
763

>  <Formula> (763)
C26H24N8O2

>  <MolWeight> (763)
480.52116

>  <Cat> (763)
S8362

>  <Name> (763)
ARRY-380 (ONT-380)

>  <Synonyms> (763)
Tucatinib

>  <Target> (763)
HER2

>  <Form> (763)
Free Base

>  <CAS> (763)
937263-43-9

>  <URL> (763)
http://www.selleckchem.com/products/arry-380-ont-380.html

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1345098-78-3

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ACK

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1234480-46-6

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http://www.selleckchem.com/products/xmd8-87.html

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   10.6008    2.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3168    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7416    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9541    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1665    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1665    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   28.4575    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
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  1  0  0  0
M  END
>  <Mol_ID> (772)
772

>  <Formula> (772)
C16H18Cl2N4O

>  <MolWeight> (772)
353.24632

>  <Cat> (772)
S7935

>  <Name> (772)
Y-39983 HCl

>  <Synonyms> (772)
Y-33075 HCl

>  <Target> (772)
ROCK

>  <Form> (772)
dihydrochloride

>  <CAS> (772)
173897-44-4

>  <URL> (772)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/01132110042D

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.4619    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  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  8  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
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 23 18  1  0  0  0  0
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 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (773)
773

>  <Formula> (773)
C21H20N2O3S

>  <MolWeight> (773)
380.4601

>  <Cat> (773)
S8448

>  <Name> (773)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (773)
N/A

>  <Target> (773)
ROCK

>  <Form> (773)
Free Base

>  <CAS> (773)
557782-81-7

>  <URL> (773)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
STO-609.cdx
csChFnd80/01132110042D

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 12  1  0  0  0  0
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 13 21  2  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (774)
774

>  <Formula> (774)
C19H10N2O3

>  <MolWeight> (774)
314.2943

>  <Cat> (774)
S8274

>  <Name> (774)
STO-609

>  <Synonyms> (774)
N/A

>  <Target> (774)
CaMK

>  <Form> (774)
Free Base

>  <CAS> (774)
52029-86-4

>  <URL> (774)
http://www.selleckchem.com/products/sto-609.html

$$$$
NSC12.cdx
csChFnd80/01132110042D

 37 40  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 10 34  1  6  0  0  0
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 17 36  1  6  0  0  0
 12 37  1  1  0  0  0
M  END
>  <Mol_ID> (775)
775

>  <Formula> (775)
C24H34F6O3

>  <MolWeight> (775)
484.5153792

>  <Cat> (775)
S7940

>  <Name> (775)
NSC12

>  <Synonyms> (775)
NSC 172285

>  <Target> (775)
FGFR

>  <Form> (775)
Free Base

>  <CAS> (775)
102586-30-1

>  <URL> (775)
http://www.selleckchem.com/products/nsc12.html

$$$$
THZ1.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (776)
776

>  <Formula> (776)
C31H30Cl3N7O2

>  <MolWeight> (776)
638.9746

>  <Cat> (776)
S7549

>  <Name> (776)
THZ1 2HCl

>  <Synonyms> (776)
N/A

>  <Target> (776)
CDK

>  <Form> (776)
dihydrochloride

>  <CAS> (776)
1604810-83-4(free base)

>  <URL> (776)
http://www.selleckchem.com/products/thz1.html

$$$$
GSK2269557.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (777)
777

>  <Formula> (777)
C26H28N6O

>  <MolWeight> (777)
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>  <Cat> (777)
S7937

>  <Name> (777)
GSK2269557

>  <Synonyms> (777)
Nemiralisib

>  <Target> (777)
PI3K

>  <Form> (777)
Free Base

>  <CAS> (777)
1254036-71-9

>  <URL> (777)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
S4740 Ferulic acid (sodium).cdx
csChFnd80/01132110042D

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>  <Mol_ID> (778)
778

>  <Formula> (778)
C10H9NaO4

>  <MolWeight> (778)
216.16583

>  <Cat> (778)
S4740

>  <Name> (778)
Sodium ferulate

>  <Synonyms> (778)
Ferulic acid sodium salt

>  <Target> (778)
Thrombin

>  <Form> (778)
Sodium salt

>  <CAS> (778)
24276-84-4

>  <URL> (778)
http://www.selleckchem.com/products/ferulic-acid-sodium.html

$$$$
S49076.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (779)
779

>  <Formula> (779)
C22H22N4O4S

>  <MolWeight> (779)
438.49948

>  <Cat> (779)
S8404

>  <Name> (779)
S49076

>  <Synonyms> (779)
N/A

>  <Target> (779)
c-Met  & FGFR

>  <Form> (779)
Free Base

>  <CAS> (779)
1265965-22-7

>  <URL> (779)
http://www.selleckchem.com/products/s49076.html

$$$$
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 27 21  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (780)
780

>  <Formula> (780)
C20H19FN4O2S

>  <MolWeight> (780)
398.4538632

>  <Cat> (780)
S8261

>  <Name> (780)
GSK583

>  <Synonyms> (780)
N/A

>  <Target> (780)
NF-¦ÊB

>  <Form> (780)
Free Base

>  <CAS> (780)
1346547-00-9

>  <URL> (780)
http://www.selleckchem.com/products/gsk583.html

$$$$
ARQ 092.cdx
csChFnd80/01132110042D

 34 38  0  0  0  0  0  0  0  0999 V2000
    3.6331    8.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 16  1  0  0  0  0
M  END
>  <Mol_ID> (781)
781

>  <Formula> (781)
C27H25ClN6

>  <MolWeight> (781)
468.9806

>  <Cat> (781)
S8339

>  <Name> (781)
Miransertib (ARQ 092)HCl

>  <Synonyms> (781)
Miransertib

>  <Target> (781)
Akt

>  <Form> (781)
hydrochloride

>  <CAS> (781)
1313883-00-9

>  <URL> (781)
http://www.selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/01132110042D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  3  8  1  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (782)
782

>  <Formula> (782)
C21H25N7O

>  <MolWeight> (782)
391.4695

>  <Cat> (782)
S8456

>  <Name> (782)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (782)
N/A

>  <Target> (782)
PI3K

>  <Form> (782)
Free Base

>  <CAS> (782)
1383716-46-8

>  <URL> (782)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
OTS514.cdx
csChFnd80/01132110042D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (783)
783

>  <Formula> (783)
C21H21ClN2O2S

>  <MolWeight> (783)
400.92164

>  <Cat> (783)
S7652

>  <Name> (783)
OTS514 hydrochloride

>  <Synonyms> (783)
N/A

>  <Target> (783)
TOPK

>  <Form> (783)
hydrochloride

>  <CAS> (783)
1338540-63-8(free base)

>  <URL> (783)
http://www.selleckchem.com/products/ots514.html

$$$$
SAR-020106.cdx
csChFnd80/01132110042D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (784)
784

>  <Formula> (784)
C19H19ClN6O

>  <MolWeight> (784)
382.84676

>  <Cat> (784)
S7740

>  <Name> (784)
SAR-020106

>  <Synonyms> (784)
N/A

>  <Target> (784)
Chk

>  <Form> (784)
Free Base

>  <CAS> (784)
1184843-57-9

>  <URL> (784)
http://www.selleckchem.com/products/sar-020106.html

$$$$
S8275-eFT-508.cdx
csChFnd80/01132110042D

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N/A

>  <Target> (785)
MNK

>  <Form> (785)
Free Base

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1849590-01-7

>  <URL> (785)
http://www.selleckchem.com/products/eft-508.html

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Urokinase inhibitor 1.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (786)
786

>  <Formula> (786)
C14H17Cl2N5O4S

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>  <Cat> (786)
S8457

>  <Name> (786)
UK-371804 HCl

>  <Synonyms> (786)
UK-371804 HCl

>  <Target> (786)
Serine Protease

>  <Form> (786)
hydrochloride

>  <CAS> (786)
256476-36-5

>  <URL> (786)
http://www.selleckchem.com/products/uk-371804-hcl.html

$$$$
S7743-CCT196969.cdx
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>  <Mol_ID> (787)
787

>  <Formula> (787)
C27H24FN7O3

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>  <Name> (787)
CCT196969

>  <Synonyms> (787)
N/A

>  <Target> (787)
Raf

>  <Form> (787)
Free Base

>  <CAS> (787)
1163719-56-9

>  <URL> (787)
http://www.selleckchem.com/products/cct196969.html

$$$$
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788

>  <Formula> (788)
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>  <Cat> (788)
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>  <Synonyms> (788)
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>  <Target> (788)
CDK

>  <Form> (788)
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>  <CAS> (788)
1619903-54-6

>  <URL> (788)
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$$$$
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>  <Mol_ID> (792)
792

>  <Formula> (792)
C23H28N8O

>  <MolWeight> (792)
432.52142

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S7992

>  <Name> (792)
LDC4297 (LDC044297)

>  <Synonyms> (792)
N/A

>  <Target> (792)
CDK

>  <Form> (792)
Free Base

>  <CAS> (792)
1453834-21-3

>  <URL> (792)
http://www.selleckchem.com/products/ldc4297-ldc044297.html

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (793)
793

>  <Formula> (793)
C25H23ClN6O3

>  <MolWeight> (793)
490.94152

>  <Cat> (793)
S8166

>  <Name> (793)
ONO-4059 (GS-4059) hydrochloride

>  <Synonyms> (793)
N/A

>  <Target> (793)
BTK

>  <Form> (793)
hydrochloride

>  <CAS> (793)
1439901-97-9

>  <URL> (793)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/01132110042D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (794)
794

>  <Formula> (794)
C19H15N3O2

>  <MolWeight> (794)
317.3413

>  <Cat> (794)
S7954

>  <Name> (794)
CP21R7 (CP21)

>  <Synonyms> (794)
N/A

>  <Target> (794)
Wnt/beta-catenin

>  <Form> (794)
Free Base

>  <CAS> (794)
125314-13-8

>  <URL> (794)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/01132110042D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (795)
795

>  <Formula> (795)
C15H18O2

>  <MolWeight> (795)
230.30222

>  <Cat> (795)
S8291

>  <Name> (795)
Atractylenolide I

>  <Synonyms> (795)
N/A

>  <Target> (795)
Immunology & Inflammation related

>  <Form> (795)
Free Base

>  <CAS> (795)
73069-13-3
73069-13-3

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

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/01132110042D

 23 23  0  0  0  0  0  0  0  0999 V2000
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A   23
xH2O
M  END
>  <Mol_ID> (796)
796

>  <Formula> (796)
C14H18ClN3O3RS

>  <MolWeight> (796)
343.82902

>  <Cat> (796)
S8208

>  <Name> (796)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (796)
N/A

>  <Target> (796)
ROCK

>  <Form> (796)
hydrochloride

>  <CAS> (796)
155558-32-0 (HCl salt)

>  <URL> (796)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$

csChFnd80/01132110042D

 30 33  0  0  0  0  0  0  0  0999 V2000
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797

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C21H18F3N5O

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>  <Name> (797)
Aurora Kinase Inhibitor III

>  <Synonyms> (797)
N/A

>  <Target> (797)
Aurora Kinase

>  <Form> (797)
Free Base

>  <CAS> (797)
879127-16-9

>  <URL> (797)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$
SUN11602.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (798)
798

>  <Formula> (798)
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>  <MolWeight> (798)
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>  <Cat> (798)
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>  <Name> (798)
SUN11602

>  <Synonyms> (798)
N/A

>  <Target> (798)
FGFR

>  <Form> (798)
Free Base

>  <CAS> (798)
704869-38-5

>  <URL> (798)
http://www.selleckchem.com/products/sun11602.html

$$$$
TGR-1202.cdx
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>  <Mol_ID> (799)
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>  <Formula> (799)
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>  <MolWeight> (799)
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>  <Cat> (799)
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>  <Synonyms> (799)
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>  <Target> (799)
PI3K

>  <Form> (799)
Free Base

>  <CAS> (799)
1532533-67-7

>  <URL> (799)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
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M  END
>  <Mol_ID> (800)
800

>  <Formula> (800)
C26H31ClN6O2

>  <MolWeight> (800)
495.01634

>  <Cat> (800)
S7824

>  <Name> (800)
Nazartinib (EGF816, NVS-816)

>  <Synonyms> (800)
N/A

>  <Target> (800)
EGFR

>  <Form> (800)
Free Base

>  <CAS> (800)
1508250-71-2

>  <URL> (800)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
OTS964.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (801)
801

>  <Formula> (801)
C23H26Cl2N2O2S

>  <MolWeight> (801)
465.43574

>  <Cat> (801)
S7648

>  <Name> (801)
OTS964

>  <Synonyms> (801)
N/A

>  <Target> (801)
Others

>  <Form> (801)
dihydrochloride

>  <CAS> (801)
1338545-07-5(HCl salt)

>  <URL> (801)
http://www.selleckchem.com/products/ots964.html

$$$$
CC-930.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (802)
802

>  <Formula> (802)
C21H24ClF3N6O2

>  <MolWeight> (802)
484.9024696

>  <Cat> (802)
S8490

>  <Name> (802)
Tanzisertib(CC-930)

>  <Synonyms> (802)
JNK-930|JNKI-1

>  <Target> (802)
JNK

>  <Form> (802)
hydrochloride

>  <CAS> (802)
899805-25-5 (free base)

>  <URL> (802)
http://www.selleckchem.com/products/cc-930.html

$$$$
PD-166866.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (803)
803

>  <Formula> (803)
C20H24N6O3

>  <MolWeight> (803)
396.44296

>  <Cat> (803)
S8493

>  <Name> (803)
PD-166866

>  <Synonyms> (803)
N/A

>  <Target> (803)
FGFR

>  <Form> (803)
Free Base

>  <CAS> (803)
192705-79-6

>  <URL> (803)
http://www.selleckchem.com/products/pd-166866.html

$$$$
BLU-554.cdx
csChFnd80/01132110042D

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http://www.selleckchem.com/products/gsk180736a.html

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FAK

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1224887-10-8

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1943733-16-1

>  <URL> (809)
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K-Ras(G12C)

>  <Form> (810)
free base

>  <CAS> (810)
1629268-00-3

>  <URL> (810)
http://www.selleckchem.com/products/ars-853.html

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1883545-60-5

>  <URL> (811)
http://www.selleckchem.com/products/crt0066101.html

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>  <URL> (812)
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>  <Mol_ID> (813)
813

>  <Formula> (813)
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>  <MolWeight> (813)
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>  <Cat> (813)
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>  <Name> (813)
AD80

>  <Synonyms> (813)
N/A

>  <Target> (813)
Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

>  <Form> (813)
free base

>  <CAS> (813)
1384071-99-1

>  <URL> (813)
http://www.selleckchem.com/products/ad80.html

$$$$
RXDX-106 (CEP-40783).cdx
csChFnd80/01132110042D

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>  <Mol_ID> (814)
814

>  <Formula> (814)
C31H26F2N4O6

>  <MolWeight> (814)
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>  <Cat> (814)
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>  <Name> (814)
RXDX-106 (CEP-40783)

>  <Synonyms> (814)
N/A

>  <Target> (814)
Axl,c-Met,Tyro3,MER,Tyro3,VEGFR2

>  <Form> (814)
free base

>  <CAS> (814)
1437321-24-8

>  <URL> (814)
http://www.selleckchem.com/products/rxdx-106-cep-40783.html

$$$$
GDC-0326.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (815)
815

>  <Formula> (815)
C19H22N6O3

>  <MolWeight> (815)
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>  <Cat> (815)
S8157

>  <Name> (815)
GDC-0326

>  <Synonyms> (815)
N/A

>  <Target> (815)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (815)
free base

>  <CAS> (815)
1282514-88-8

>  <URL> (815)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

$$$$
Senexin A.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (816)
816

>  <Formula> (816)
C17H14N4

>  <MolWeight> (816)
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>  <Cat> (816)
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>  <Name> (816)
Senexin A

>  <Synonyms> (816)
N/A

>  <Target> (816)
CDK19,CDK8

>  <Form> (816)
free base

>  <CAS> (816)
1366002-50-7

>  <URL> (816)
http://www.selleckchem.com/products/senexin-a.html

$$$$
MSC2530818.cdx
csChFnd80/01132110042D

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    3.3668    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1505    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5199    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2199    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2831    2.6694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5742    4.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9056    4.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    5.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1563    6.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    6.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5338    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4474    8.1471    0.0000 Cl  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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  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 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 13  1  0  0  0  0
 17 18  1  6  0  0  0
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 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (817)
817

>  <Formula> (817)
C18H17ClN4O

>  <MolWeight> (817)
340.80678

>  <Cat> (817)
S8387

>  <Name> (817)
MSC2530818

>  <Synonyms> (817)
N/A

>  <Target> (817)
CDK8

>  <Form> (817)
free base

>  <CAS> (817)
1883423-59-3

>  <URL> (817)
http://www.selleckchem.com/products/msc2530818.html

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/01132110042D

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 26 21  1  0  0  0  0
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 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
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 30 36  1  0  0  0  0
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 42 35  1  0  0  0  0
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 10 44  1  0  0  0  0
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M  END
>  <Mol_ID> (818)
818

>  <Formula> (818)
C33H29F2N5O4S

>  <MolWeight> (818)
629.6762664

>  <Cat> (818)
S8573

>  <Name> (818)
Sitravatinib (MGCD516)

>  <Synonyms> (818)
MG-516

>  <Target> (818)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (818)
free base

>  <CAS> (818)
1123837-84-2

>  <URL> (818)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

$$$$
3BDO.cdx
csChFnd80/01132110042D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (819)
819

>  <Formula> (819)
C18H17NO5

>  <MolWeight> (819)
327.33128

>  <Cat> (819)
S8317

>  <Name> (819)
3BDO

>  <Synonyms> (819)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (819)
FKBP1A

>  <Form> (819)
free base

>  <CAS> (819)
890405-51-3

>  <URL> (819)
http://www.selleckchem.com/products/3bdo.html

$$$$
TPX-0005.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (820)
820

>  <Formula> (820)
C18H18FN5O2

>  <MolWeight> (820)
355.3662232

>  <Cat> (820)
S8583

>  <Name> (820)
TPX-0005

>  <Synonyms> (820)
N/A

>  <Target> (820)
 ALK,ALK(L1196M),ALK(G1202R),Src 

>  <Form> (820)
free base

>  <CAS> (820)
no

>  <URL> (820)
http://www.selleckchem.com/products/tpx-0005.html

$$$$
GSK2982772.cdx
csChFnd80/01132110042D

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human RIP1

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Nanog

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1129403-56-0

>  <URL> (822)
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1174428-47-7

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>  <Name> (824)
IPI-549

>  <Synonyms> (824)
N/A

>  <Target> (824)
PI3K¦Ã

>  <CAS> (824)
1693758-51-8

>  <URL> (824)
http://www.selleckchem.com/products/ipi-549.html

$$$$
TAK-659.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (825)
825

>  <Formula> (825)
C17H22ClFN6O

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>  <Cat> (825)
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>  <Name> (825)
TAK-659

>  <Synonyms> (825)
N/A

>  <Target> (825)
Syk,FLT3,ZAP-70,JAK3,VEGFR2

>  <Form> (825)
hydrochloride 

>  <CAS> (825)
1952251-28-3

>  <URL> (825)
http://www.selleckchem.com/products/tak-659.html

$$$$
PF-06273340.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (826)
826

>  <Formula> (826)
C23H22ClN7O3

>  <MolWeight> (826)
479.91888

>  <Cat> (826)
S8407

>  <Name> (826)
PF-06273340

>  <Synonyms> (826)
N/A

>  <Target> (826)
TrkC,TrkB,TrkA

>  <Form> (826)
free base

>  <CAS> (826)
1402438-74-7

>  <URL> (826)
http://www.selleckchem.com/products/pf-06273340.html

$$$$
GSK'872 (GSK2399872A).cdx
csChFnd80/01132110042D

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>  <Mol_ID> (827)
827

>  <Formula> (827)
C19H17N3O2S2

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383.48718

>  <Cat> (827)
S8465

>  <Name> (827)
GSK'872 (GSK2399872A)

>  <Synonyms> (827)
N/A

>  <Target> (827)
RIP3K

>  <Form> (827)
Free base

>  <CAS> (827)
1346546-69-7

>  <URL> (827)
http://www.selleckchem.com/products/GSK872-GSK2399872A.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/01132110042D

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>  <Mol_ID> (828)
828

>  <Formula> (828)
C19H17N5O3

>  <MolWeight> (828)
363.36998

>  <Cat> (828)
S8581

>  <Name> (828)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Synonyms> (828)
N/A

>  <Target> (828)
PI3K¦Á 

>  <Form> (828)
Free base

>  <CAS> (828)
1268454-23-4

>  <URL> (828)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/01132110042D

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>  <Mol_ID> (829)
829

>  <Formula> (829)
C2HCl2NaO2

>  <MolWeight> (829)
150.92391

>  <Cat> (829)
S8615

>  <Name> (829)
Sodium dichloroacetate (DCA)

>  <Synonyms> (829)
bichloroacetic acid, BCA

>  <Target> (829)
PDK

>  <Form> (829)
sodium salt

>  <CAS> (829)
2156-56-1

>  <URL> (829)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (830)
830

>  <Formula> (830)
C33H44FN5O3

>  <MolWeight> (830)
577.7325632

>  <Cat> (830)
S8511

>  <Name> (830)
Belizatinib (TSR-011)

>  <Synonyms> (830)
N/A

>  <Target> (830)
ALK,TRK

>  <Form> (830)
free base

>  <CAS> (830)
1357920-84-3

>  <URL> (830)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

$$$$
Autophinib.cdx
csChFnd80/01132110042D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.3451    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5575    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7699    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (831)
831

>  <Formula> (831)
C14H11ClN6O3

>  <MolWeight> (831)
346.72854

>  <Cat> (831)
S8596

>  <Name> (831)
Autophinib

>  <Synonyms> (831)
N/A

>  <Target> (831)
autophagy

>  <Form> (831)
free base

>  <CAS> (831)
1644443-47-9

>  <URL> (831)
http://www.selleckchem.com/products/autophinib.html

$$$$
PRN1371.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (832)
832

>  <Formula> (832)
C26H30Cl2N6O4

>  <MolWeight> (832)
561.4602

>  <Cat> (832)
S8578

>  <Name> (832)
PRN1371

>  <Synonyms> (832)
N/A

>  <Target> (832)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (832)
free base

>  <CAS> (832)
1802929-43-6

>  <URL> (832)
http://www.selleckchem.com/products/prn1371.html

$$$$

csChFnd80/01132110042D

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1191911-26-8

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http://www.selleck.cn/products/czc-25146.html

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csChFnd80/01132110042D

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N/A

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FLT3,Axl 

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free base

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1254053-43-4

>  <URL> (834)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

$$$$
NCT-503.cdx
csChFnd80/01132110042D

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835

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PHGDH

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free base

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1916571-90-8

>  <URL> (835)
http://www.selleckchem.com/products/nct-503.html

$$$$
Azoramide.cdx
csChFnd80/01132110042D

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N/A

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UPR

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free base

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932986-18-0

>  <URL> (836)
http://www.selleckchem.com/products/azoramide.html

$$$$
R-IMPP.cdx
csChFnd80/01132110042D

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>  <Synonyms> (837)
N/A

>  <Target> (837)
PCSK9 

>  <Form> (837)
free base

>  <CAS> (837)
no cas

>  <URL> (837)
http://www.selleckchem.com/products/r-impp.html

$$$$
Chk2 Inhibitor II (BML-277).cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (838)
838

>  <Formula> (838)
C20H14ClN3O2

>  <MolWeight> (838)
363.79706

>  <Cat> (838)
S8632

>  <Name> (838)
Chk2 Inhibitor II (BML-277)

>  <Synonyms> (838)
N/A

>  <Target> (838)
Chk2

>  <Form> (838)
free base

>  <CAS> (838)
516480-79-8

>  <URL> (838)
http://www.selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
LY3214996.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (839)
839

>  <Formula> (839)
C22H27N7O2S

>  <MolWeight> (839)
453.56048

>  <Cat> (839)
S8534

>  <Name> (839)
LY3214996

>  <Synonyms> (839)
N/A

>  <Target> (839)
ERK1,ERK2

>  <Form> (839)
free base

>  <CAS> (839)
1951483-29-6

>  <URL> (839)
http://www.selleckchem.com/products/ly3214996.html

$$$$
PF-06409577.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (840)
840

>  <Formula> (840)
C19H16ClNO3

>  <MolWeight> (840)
341.78824

>  <Cat> (840)
S8335

>  <Name> (840)
PF-06409577

>  <Synonyms> (840)
N/A

>  <Target> (840)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (840)
free base

>  <CAS> (840)
1467057-23-3

>  <URL> (840)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/01132110042D

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>  <Mol_ID> (841)
841

>  <Formula> (841)
C18H19NO2S2

>  <MolWeight> (841)
345.47896

>  <Cat> (841)
S8616

>  <Name> (841)
PKM2 inhibitor(compound 3k)

>  <Synonyms> (841)
N/A

>  <Target> (841)
PKM2

>  <Form> (841)
free base

>  <CAS> (841)
94164-88-2

>  <URL> (841)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

$$$$
MKC-3946.cdx
csChFnd80/01132110042D

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IRE1¦Á endoribonuclease

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free base

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1093119-54-0

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http://www.selleckchem.com/products/mkc-3946.html

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dihydrochloride

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2088939-99-3(free base)

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free base

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free base

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M  END
>  <Mol_ID> (846)
846

>  <Formula> (846)
C30H50O

>  <MolWeight> (846)
426.7174

>  <Cat> (846)
S3614

>  <Name> (846)
Lupeol

>  <Synonyms> (846)
(3¦Â,13¦Î)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol

>  <Target> (846)
Others

>  <Form> (846)
free base

>  <CAS> (846)
545-47-1

>  <URL> (846)
http://www.selleckchem.com/products/lupeol.html

$$$$
3PO.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (847)
847

>  <Formula> (847)
C13H10N2O

>  <MolWeight> (847)
210.2313

>  <Cat> (847)
S7639

>  <Name> (847)
3PO

>  <Synonyms> (847)
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one

>  <Target> (847)
PFKFB3

>  <Form> (847)
free base

>  <CAS> (847)
18550-98-6

>  <URL> (847)
http://www.selleckchem.com/products/3po.html

$$$$
H3B-6527.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (848)
848

>  <Formula> (848)
C29H34Cl2N8O4

>  <MolWeight> (848)
629.53746

>  <Cat> (848)
S8675

>  <Name> (848)
H3B-6527

>  <Synonyms> (848)
N/A

>  <Target> (848)
FGFR4

>  <Form> (848)
free base

>  <CAS> (848)
1702259-66-2

>  <URL> (848)
http://www.selleckchem.com/products/h3b-6527.html

$$$$
S5144 Neferine.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (849)
849

>  <Formula> (849)
C38H44N2O6

>  <MolWeight> (849)
624.76576

>  <Cat> (849)
S5144

>  <Name> (849)
Neferine

>  <Synonyms> (849)
(R)-1,2-Dimethoxyaporphine

>  <Target> (849)
Others

>  <Form> (849)
free base

>  <CAS> (849)
2292-16-2

>  <URL> (849)
http://www.selleckchem.com/products/neferine.html

$$$$
Takinib.cdx
csChFnd80/01132110042D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7563    3.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7563    5.9686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    3.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    2.4111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2522    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 24  2  0  0  0  0
M  END
>  <Mol_ID> (850)
850

>  <Formula> (850)
C18H18N4O2

>  <MolWeight> (850)
322.36112

>  <Cat> (850)
S8663

>  <Name> (850)
Takinib

>  <Synonyms> (850)
EDHS-206

>  <Target> (850)
TAK1,IRAK4,IRAK1

>  <Form> (850)
free base

>  <CAS> (850)
1111556-37-6

>  <URL> (850)
http://www.selleckchem.com/products/takinib.html

$$$$
S4770 Creatine phosphate disodium salt.cdx
csChFnd80/01132110042D

 15 12  0  0  0  0  0  0  0  0999 V2000
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    9.5989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8113    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7492    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3243    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2367    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.9252    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8210    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (851)
851

>  <Formula> (851)
C4H8N3Na2O5P

>  <MolWeight> (851)
255.076721

>  <Cat> (851)
S4770

>  <Name> (851)
Creatine phosphate disodium salt

>  <Synonyms> (851)
Phosphocreatine disodium salt

>  <Target> (851)
Others

>  <Form> (851)
disodium salt

>  <CAS> (851)
922-32-7

>  <URL> (851)
http://www.selleckchem.com/products/creatine-phosphate-disodium-salt.html

$$$$
IPI-3063.cdx
csChFnd80/01132110042D

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    0.0000    7.7000    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
    1.2124    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
    2.4249    7.7000    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    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 N   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
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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
  4  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  5  1  0  0  0  0
  7 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  7  1  0  0  0  0
 14 17  2  0  0  0  0
 13 18  1  0  0  0  0
  9 19  1  0  0  0  0
 11 20  2  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  6  0  0  0
 19 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
 27 32  1  0  0  0  0
 28 34  1  0  0  0  0
 32 33  3  0  0  0  0
M  END
>  <Mol_ID> (852)
852

>  <Formula> (852)
C25H25N7O2

>  <MolWeight> (852)
455.5117

>  <Cat> (852)
S7335

>  <Name> (852)
IPI-3063

>  <Synonyms> (852)
N/A

>  <Target> (852)
p110¦Ä

>  <Form> (852)
free base

>  <CAS> (852)
1425043-73-7

>  <URL> (852)
http://www.selleckchem.com/products/ipi-3063.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/01132110042D

 20 17  0  0  0  0  0  0  0  0999 V2000
    4.7611    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3521    3.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2131    5.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5731    2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282    5.0829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5143    2.5760    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0767    5.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5423    5.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921    1.2735    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    5.5489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7231    1.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4104    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2700    0.6897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3514    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    4.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    7.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5820    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6829    0.6064    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5646    6.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 14 16  1  0  0  0  0
  5 20  1  6  0  0  0
M  END
>  <Mol_ID> (853)
853

>  <Formula> (853)
C6H6Na3O9P

>  <MolWeight> (853)
322.049511

>  <Cat> (853)
S5115

>  <Name> (853)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (853)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (853)
Others

>  <Form> (853)
sodium salt

>  <CAS> (853)
66170-10-3

>  <URL> (853)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
PF-06651600.cdx
csChFnd80/01132110042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    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 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6061    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.5326    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
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 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (854)
854

>  <Formula> (854)
C15H19N5O

>  <MolWeight> (854)
285.34426

>  <Cat> (854)
S8538

>  <Name> (854)
PF-06651600

>  <Synonyms> (854)
N/A

>  <Target> (854)
JAK3 

>  <Form> (854)
free base

>  <CAS> (854)
1792180-81-4

>  <URL> (854)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
2-D08.cdx
csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    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 O   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
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 16 19  1  0  0  0  0
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M  END
>  <Mol_ID> (855)
855

>  <Formula> (855)
C15H10O5

>  <MolWeight> (855)
270.2369

>  <Cat> (855)
S8696

>  <Name> (855)
2-D08
2-D08

>  <Synonyms> (855)
2',3',4'-trihydroxy flavone

>  <Target> (855)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (855)
free base

>  <CAS> (855)
144707-18-6

>  <URL> (855)
http://selleckchem.com/products/2-d08.html

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/01132110042D

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    0.0000    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2287    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7529    0.2477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5845    1.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7704    2.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2395    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3785    5.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562    6.3488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1133    5.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3080    3.2951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4931    2.5039    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 18 15  1  0  0  0  0
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M  END
>  <Mol_ID> (856)
856

>  <Formula> (856)
C26H23F4N9O

>  <MolWeight> (856)
553.5141328

>  <Cat> (856)
S7812

>  <Name> (856)
Itacitinib (INCB39110)

>  <Synonyms> (856)
N/A

>  <Target> (856)
JAK

>  <Form> (856)
free base

>  <CAS> (856)
1334298-90-6

>  <URL> (856)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.html

$$$$
S5045 Nomilin.cdx
csChFnd80/01132110042D

 39 44  0  0  0  0  0  0  0  0999 V2000
    8.1413    4.3026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9215    3.6125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1413    5.7122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3566    3.6125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1413    2.8930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7113    4.3269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9215    2.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5763    4.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3566    6.4072    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9215    6.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1413    7.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5765    4.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    3.6319    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (857)
857

>  <Formula> (857)
C28H34O9

>  <MolWeight> (857)
514.56416

>  <Cat> (857)
S5045

>  <Name> (857)
Nomilin

>  <Synonyms> (857)
N/A

>  <Target> (857)
Others

>  <Form> (857)
free base

>  <CAS> (857)
1063-77-0

>  <URL> (857)
http://selleckchem.com/products/nomilin.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/01132110042D

 34 35  0  0  0  0  0  0  0  0999 V2000
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   15.7617    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    3.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (858)
858

>  <Formula> (858)
C21H17ClF4N4O4

>  <MolWeight> (858)
500.8306928

>  <Cat> (858)
S5077

>  <Name> (858)
Regorafenib Monohydrate

>  <Synonyms> (858)
N/A

>  <Target> (858)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (858)
monohydrate

>  <CAS> (858)
1019206-88-2

>  <URL> (858)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
S5084 Carbazochrome.cdx
csChFnd80/01132110042D

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (859)
859

>  <Formula> (859)
C10H12N4O3

>  <MolWeight> (859)
236.22728

>  <Cat> (859)
S5084

>  <Name> (859)
Carbazochrome

>  <Synonyms> (859)
Adedolon, Adchnon, Adrenostazin, Cromadrenal, Adona, AC-17

>  <Target> (859)
Others

>  <Form> (859)
free base

>  <CAS> (859)
69-81-8

>  <URL> (859)
http://selleckchem.com/products/carbazochrome.html

$$$$
S5093 Rafoxanide.cdx
csChFnd80/01132110042D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (860)
860

>  <Formula> (860)
C19H11Cl2I2NO3

>  <MolWeight> (860)
626.01048

>  <Cat> (860)
S5093

>  <Name> (860)
Rafoxanide

>  <Synonyms> (860)
Disalan, Ranide, Flukanide, Bovanide

>  <Target> (860)
Anti-infection

>  <Form> (860)
free base

>  <CAS> (860)
22662-39-1

>  <URL> (860)
http://selleckchem.com/products/rafoxanide.html

$$$$
BGB-3111.cdx
csChFnd80/01132110042D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.7440    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7440    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9565    1.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1689    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (861)
861

>  <Formula> (861)
C24H25N5O3

>  <MolWeight> (861)
431.487

>  <Cat> (861)
S8542

>  <Name> (861)
Btk inhibitor 2

>  <Synonyms> (861)
N/A

>  <Target> (861)
BTK

>  <Form> (861)
free base

>  <CAS> (861)
1558036-85-3

>  <URL> (861)
http://selleckchem.com/products/btk-inhibitor-2.html

$$$$
kira6.cdx
csChFnd80/01132110042D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (862)
862

>  <Formula> (862)
C28H25F3N6O

>  <MolWeight> (862)
518.5329096

>  <Cat> (862)
S8658

>  <Name> (862)
kira6

>  <Synonyms> (862)
N/A

>  <Target> (862)
Others

>  <CAS> (862)
1589527-65-0

>  <URL> (862)
http://selleckchem.com/products/kira6.html

$$$$
SNS-314.cdx
csChFnd80/01132110042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (863)
863

>  <Formula> (863)
C18H15ClN6OS2

>  <MolWeight> (863)
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>  <Cat> (863)
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>  <Name> (863)
SNS-314 Mesylate

>  <Synonyms> (863)
N/A

>  <Target> (863)
Aurora Kinase

>  <CAS> (863)
1057249-41-8

>  <URL> (863)
http://selleckchem.com/products/sns-314.html

$$$$
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>  <Mol_ID> (864)
864

>  <Formula> (864)
C31H26N4O3

>  <MolWeight> (864)
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>  <Cat> (864)
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>  <Name> (864)
BMS-935177

>  <Synonyms> (864)
N/A

>  <Target> (864)
BTK,Trk receptor,c-RET

>  <Form> (864)
free base

>  <CAS> (864)
1231889-53-4

>  <URL> (864)
http://selleckchem.com/products/bms-935177.html

$$$$
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>  <Mol_ID> (865)
865

>  <Formula> (865)
C35H29F3N4O3

>  <MolWeight> (865)
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>  <Cat> (865)
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>  <Name> (865)
KPT-9274

>  <Synonyms> (865)
N/A

>  <Target> (865)
NAMPT,PAK

>  <Form> (865)
free base

>  <CAS> (865)
1643913-93-2

>  <URL> (865)
http://selleckchem.com/products/kpt-9274.html

$$$$
Asciminib(ABL001).cdx
csChFnd80/01132110042D

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http://selleckchem.com/products/asciminib-abl001.html

$$$$
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PI3K

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free base

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1639417-53-0

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$$$$
AS1517499.cdx
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STAT

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free base

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919486-40-1

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RAF709.cdx
csChFnd80/01132110042D

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free base

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S5232 Alectinib hydrochloride.cdx
csChFnd80/01132110042D

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 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
  1 13  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
  4 17  2  0  0  0  0
  5 14  2  0  0  0  0
 18 19  3  0  0  0  0
 11 18  1  0  0  0  0
  6 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 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
 27 32  1  0  0  0  0
 24 30  1  0  0  0  0
 16 21  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
 35 36  1  0  0  0  0
 15 35  1  0  0  0  0
M  END
>  <Mol_ID> (870)
870

>  <Formula> (870)
C30H35ClN4O2

>  <MolWeight> (870)
519.0775

>  <Cat> (870)
S5232

>  <Name> (870)
Alectinib hydrochloride

>  <Synonyms> (870)
AF802 hydrochloride

>  <Target> (870)
ALK

>  <Form> (870)
hydrochloride 

>  <CAS> (870)
1256589-74-8

>  <URL> (870)
http://selleckchem.com/products/alectinib-hydrochloride.html

$$$$
S5060 Metadoxine.cdx
csChFnd80/01132110042D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.6360    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    4.9008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8566    4.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    2.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2099    3.6045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9975    2.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2503    2.6678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6150    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9761    4.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7229    3.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6810    1.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2887    1.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6015    1.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  8  1  1  0  0  0  0
  5  2  2  0  0  0  0
  7  2  1  0  0  0  0
  6  3  2  0  0  0  0
  3  5  1  0  0  0  0
  9  4  1  0  0  0  0
  6  4  1  0  0  0  0
 12  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 18 14  2  0  0  0  0
 20 14  1  0  0  0  0
 15 16  1  6  0  0  0
 19 15  1  0  0  0  0
 17 16  2  0  0  0  0
 21 16  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (871)
871

>  <Formula> (871)
C13H18N2O6

>  <MolWeight> (871)
298.29182

>  <Cat> (871)
S5060

>  <Name> (871)
 Metadoxine

>  <Synonyms> (871)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (871)
Others

>  <Form> (871)
salt

>  <CAS> (871)
74536-44-0

>  <URL> (871)
http://selleckchem.com/products/metadoxine.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/01132110042D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674    0.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545    1.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    1.1273    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    5.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (872)
872

>  <Formula> (872)
C10H16N5O8P

>  <MolWeight> (872)
365.236501

>  <Cat> (872)
S5284

>  <Name> (872)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (872)
5'-Adenylic acid, 5'-AMP

>  <Target> (872)
AMPK

>  <Form> (872)
hydrate 

>  <CAS> (872)
18422-05-4

>  <URL> (872)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5321 Y15.cdx
csChFnd80/01132110042D

 14 10  0  0  0  0  0  0  0  0999 V2000
    7.1296    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1296    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200    2.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    2.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7510    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7510    2.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   11.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   10.4001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    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
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (873)
873

>  <Formula> (873)
C6H14Cl4N4

>  <MolWeight> (873)
284.01416

>  <Cat> (873)
S5321

>  <Name> (873)
Y15

>  <Synonyms> (873)
1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (873)
FAK

>  <Form> (873)
tetrahydrochloride 

>  <CAS> (873)
4506-66-5

>  <URL> (873)
http://selleckchem.com/products/y15.html

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/01132110042D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371    7.4831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1678    8.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    7.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8679    9.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312   11.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6521   10.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    9.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7726    9.5979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    2.8229    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    1.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    4.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  6  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 14 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  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (874)
874

>  <Formula> (874)
C17H21N6O4P

>  <MolWeight> (874)
404.360201

>  <Cat> (874)
S5243

>  <Name> (874)
Ruxolitinib Phosphate

>  <Synonyms> (874)
INCB018424, INC424

>  <Target> (874)
JAK

>  <Form> (874)
phosphate 

>  <CAS> (874)
1092939-17-7

>  <URL> (874)
http://selleckchem.com/products/ruxolitinib-phosphate.html

$$$$
S5313 SC66.cdx
csChFnd80/01132110042D

 21 23  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
    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  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 N   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
   10.9119    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
  5  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 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
 13 14  2  0  0  0  0
 12 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 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (875)
875

>  <Formula> (875)
C18H16N2O

>  <MolWeight> (875)
276.33244

>  <Cat> (875)
S5313

>  <Name> (875)
SC66

>  <Synonyms> (875)
N/A

>  <Target> (875)
Akt

>  <Form> (875)
free base

>  <CAS> (875)
871361-88-5

>  <URL> (875)
http://selleckchem.com/products/sc66.html

$$$$
S5316 NU2058.cdx
csChFnd80/01132110042D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.8434    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    2.1079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    2.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (876)
876

>  <Formula> (876)
C12H17N5O

>  <MolWeight> (876)
247.29628

>  <Cat> (876)
S5316

>  <Name> (876)
NU2058

>  <Synonyms> (876)
O(6)-Cyclohexylmethylguanine

>  <Target> (876)
CDK

>  <Form> (876)
free base

>  <CAS> (876)
161058-83-9

>  <URL> (876)
http://selleckchem.com/products/nu2058.html

$$$$
AZD1390.cdx
csChFnd80/01132110042D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (877)
877

>  <Formula> (877)
C27H32FN5O2

>  <MolWeight> (877)
477.5736832

>  <Cat> (877)
S8680

>  <Name> (877)
AZD1390

>  <Synonyms> (877)
N/A

>  <Target> (877)
ATM/ATR

>  <Form> (877)
free base

>  <CAS> (877)
2089288-03-7

>  <URL> (877)
http://selleckchem.com/products/azd1390.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/01132110042D

 32 34  0  0  0  0  0  0  0  0999 V2000
   10.9179    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (878)
878

>  <Formula> (878)
C22H25Cl2FN4O3

>  <MolWeight> (878)
483.3633032

>  <Cat> (878)
S5098

>  <Name> (878)
Gefitinib hydrochloride

>  <Synonyms> (878)
ZD1839 hydrochloride

>  <Target> (878)
EGFR

>  <Form> (878)
hydrochloride 

>  <CAS> (878)
184475-55-6

>  <URL> (878)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/01132110042D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (879)
879

>  <Formula> (879)
C23H26ClN

>  <MolWeight> (879)
351.91224

>  <Cat> (879)
S5279

>  <Name> (879)
Fendiline hydrochloride

>  <Synonyms> (879)
N/A

>  <Target> (879)
Calcium Channel,Ras

>  <Form> (879)
hydrochloride 

>  <CAS> (879)
13636-18-5

>  <URL> (879)
http://selleckchem.com/products/fendiline-hydrochloride.html

$$$$
GSK'963.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (880)
880

>  <Formula> (880)
C14H18N2O

>  <MolWeight> (880)
230.30552

>  <Cat> (880)
S8642

>  <Name> (880)
GSK'963

>  <Synonyms> (880)
N/A

>  <Target> (880)
NF-¦ÊB,TNF-alpha

>  <Form> (880)
free base

>  <CAS> (880)
2049868-46-2

>  <URL> (880)
http://selleckchem.com/products/gsk963.html

$$$$
bpV (HOpic).cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (881)
881

>  <Formula> (881)
C6H4K2NO8V

>  <MolWeight> (881)
347.23596

>  <Cat> (881)
S8651

>  <Name> (881)
bpV (HOpic)

>  <Synonyms> (881)
Bisperoxovanadium(HOpic)

>  <Target> (881)
PTEN

>  <Form> (881)
potassium 

>  <CAS> (881)
722494-26-0

>  <URL> (881)
http://selleckchem.com/products/bpv-hopic.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/01132110042D

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>  <Mol_ID> (882)
882

>  <Formula> (882)
C23H24Cl2FN3O3

>  <MolWeight> (882)
480.3593632

>  <Cat> (882)
S8726

>  <Name> (882)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (882)
N/A

>  <Target> (882)
VEGFR

>  <Form> (882)
dihydrochloride 

>  <CAS> (882)
1360460-82-7

>  <URL> (882)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
DCC-2618.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (883)
883

>  <Formula> (883)
C26H21F2N5O3

>  <MolWeight> (883)
489.4734464

>  <Cat> (883)
S8721

>  <Name> (883)
DCC-2618

>  <Synonyms> (883)
N/A

>  <Target> (883)
c-Kit

>  <CAS> (883)
 1225278-16-9

>  <URL> (883)
http://selleckchem.com/products/dcc-2618.html

$$$$
FGF401.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (884)
884

>  <Formula> (884)
C25H30N8O4

>  <MolWeight> (884)
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>  <Cat> (884)
S8548

>  <Name> (884)
FGF401

>  <Synonyms> (884)
N/A

>  <Target> (884)
FGFR

>  <Form> (884)
free base

>  <CAS> (884)
1708971-55-4

>  <URL> (884)
http://selleckchem.com/products/fgf401.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/01132110042D

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    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8290    3.5000    0.0000 O   0  0  0  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
  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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  5 23  1  1  0  0  0
 17 24  2  0  0  0  0
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 16 26  2  0  0  0  0
M  END
>  <Mol_ID> (885)
885

>  <Formula> (885)
C21H28O2

>  <MolWeight> (885)
312.44582

>  <Cat> (885)
S3792

>  <Name> (885)
Guggulsterone E&Z

>  <Synonyms> (885)
N/A

>  <Target> (885)
FXR

>  <Form> (885)
free base

>  <CAS> (885)
95975-55-6

>  <URL> (885)
http://selleckchem.com/products/guggulsterone.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/01132110042D

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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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M  END
>  <Mol_ID> (886)
886

>  <Formula> (886)
C24H24F3N5O5S3

>  <MolWeight> (886)
615.6680696

>  <Cat> (886)
S5069

>  <Name> (886)
Dabrafenib Mesylate

>  <Synonyms> (886)
GSK2118436 Mesylate

>  <Target> (886)
Raf

>  <Form> (886)
mesylate

>  <CAS> (886)
1195768-06-9

>  <URL> (886)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/01132110042D

 46 49  0  0  0  0  0  0  0  0999 V2000
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    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (887)
887

>  <Formula> (887)
C33H39N5O7S

>  <MolWeight> (887)
649.75706

>  <Cat> (887)
S5234

>  <Name> (887)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (887)
Intedanib, BIBF 1120

>  <Target> (887)
VEGFR,FGFR,PDGFR

>  <Form> (887)
ethanesulfonate 

>  <CAS> (887)
656247-18-6

>  <URL> (887)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/01132110042D

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    5.9792    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    3.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    3.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    7.1882    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.7509    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9633    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7509    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9591    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9633    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1715    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9591    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1673    2.0927    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  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 12  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
 15 19  1  0  0  0  0
 14 15  1  0  0  0  0
  8 11  1  0  0  0  0
 20 21  1  0  0  0  0
  7 20  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  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
 23 31  1  0  0  0  0
 26 31  2  0  0  0  0
 24 32  1  0  0  0  0
 27 33  1  0  0  0  0
 22 28  1  0  0  0  0
  4 22  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 35 39  1  0  0  0  0
 37 40  2  0  0  0  0
 37 41  1  0  0  0  0
M  END
>  <Mol_ID> (888)
888

>  <Formula> (888)
C29H31FN4O7

>  <MolWeight> (888)
566.5774432

>  <Cat> (888)
S5242

>  <Name> (888)
Cediranib Maleate

>  <Synonyms> (888)
AZD-2171 maleate

>  <Target> (888)
VEGFR

>  <Form> (888)
maleate

>  <CAS> (888)
 857036-77-2

>  <URL> (888)
http://selleckchem.com/products/cediranib-maleate.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/01132110042D

 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> (889)
889

>  <Formula> (889)
C22H42O2

>  <MolWeight> (889)
338.56768

>  <Cat> (889)
S5383

>  <Name> (889)
Erucic acid

>  <Synonyms> (889)
cis-13-docosenoic acid

>  <Target> (889)
Others

>  <Form> (889)
free base

>  <CAS> (889)
112-86-7

>  <URL> (889)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/01132110042D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (890)
890

>  <Formula> (890)
C3H3BrO3

>  <MolWeight> (890)
166.95812

>  <Cat> (890)
S5426

>  <Name> (890)
Bromopyruvic acid

>  <Synonyms> (890)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (890)
Others

>  <Form> (890)
free base

>  <CAS> (890)
1113-59-3

>  <URL> (890)
http://selleckchem.com/products/bromopyruvic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/01132110042D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6292    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9590    0.2576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677    2.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8093    0.0000 Br  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  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (891)
891

>  <Formula> (891)
C8H6BrN

>  <MolWeight> (891)
196.04394

>  <Cat> (891)
S5439

>  <Name> (891)
5-Bromoindole

>  <Synonyms> (891)
N/A

>  <Target> (891)
GSK-3

>  <Form> (891)
free base

>  <CAS> (891)
10075-50-0

>  <URL> (891)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/01132110042D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.5219    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    2.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737    2.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610    1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    2.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    3.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    3.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5219    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7698    2.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    1.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378    4.2867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9022    1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (892)
892

>  <Formula> (892)
C11H12O4

>  <MolWeight> (892)
208.21058

>  <Cat> (892)
S5451

>  <Name> (892)
Ferulic acid methyl ester

>  <Synonyms> (892)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (892)
Immunology & Inflammation related

>  <Form> (892)
free base

>  <CAS> (892)
149567

>  <URL> (892)
http://selleckchem.com/products/ferulic-acid-methylester.html

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/01132110042D

 26 30  0  0  0  0  0  0  0  0999 V2000
    5.7157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    3.6373    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.8157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    4.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    3.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9852    1.5035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1315    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3547    5.2983    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  2  0  0  0  0
  8 15  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  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 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (893)
893

>  <Formula> (893)
C20H14ClNO4

>  <MolWeight> (893)
367.78246

>  <Cat> (893)
S5452

>  <Name> (893)
Sanguinarine chloride

>  <Synonyms> (893)
N/A

>  <Target> (893)
phosphatase

>  <Form> (893)
chloride 

>  <CAS> (893)
5578-73-4

>  <URL> (893)
http://selleckchem.com/products/sanguinarine-chloride.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/01132110042D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.2942    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2942    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    4.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7237    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    0.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9320    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    4.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4104    2.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    4.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (894)
894

>  <Formula> (894)
C20H20O4

>  <MolWeight> (894)
324.3704

>  <Cat> (894)
S5456

>  <Name> (894)
Isobavachalcone

>  <Synonyms> (894)
Corylifolinin

>  <Target> (894)
Anti-infection

>  <Form> (894)
free base

>  <CAS> (894)
20784-50-3

>  <URL> (894)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/01132110042D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  2  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
   10.9119    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.1244    4.9000    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
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 21 18  1  1  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
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 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  6  0  0  0
 26 29  1  0  0  0  0
 26 30  1  1  0  0  0
 27 31  1  1  0  0  0
 27 29  1  0  0  0  0
 29 32  1  6  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (895)
895

>  <Formula> (895)
C22H26O11

>  <MolWeight> (895)
466.43524

>  <Cat> (895)
S5457

>  <Name> (895)
Curculigoside

>  <Synonyms> (895)
Curculigoside A

>  <Target> (895)
Immunology & Inflammation related

>  <Form> (895)
free base

>  <CAS> (895)
85643-19-2

>  <URL> (895)
http://selleckchem.com/products/curculigoside.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/01132110042D

 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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    3.6373    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    7.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    8.4089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    7.7088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3081    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9127    5.6077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1259    6.3082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 22 20  1  6  0  0  0
 17 20  1  1  0  0  0
 31 32  1  0  0  0  0
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 18 33  1  6  0  0  0
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 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (896)
896

>  <Formula> (896)
C29H36O15

>  <MolWeight> (896)
624.58714

>  <Cat> (896)
S5458

>  <Name> (896)
Verbascoside

>  <Synonyms> (896)
Acteoside, Kusaginin

>  <Target> (896)
Immunology & Inflammation related

>  <Form> (896)
free base

>  <CAS> (896)
61276-17-3

>  <URL> (896)
http://selleckchem.com/products/verbascoside.html

$$$$
S5464 Psoralidin.cdx
csChFnd80/01132110042D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.0998    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
    6.0567    0.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2680    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2618    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4674    0.0029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4752    2.7998    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  4  2  0  0  0  0
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  2  3  2  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  5  4  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 18  2  0  0  0  0
  8 10  1  0  0  0  0
 11  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  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
 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
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (897)
897

>  <Formula> (897)
C20H16O5

>  <MolWeight> (897)
336.33804

>  <Cat> (897)
S5464

>  <Name> (897)
Psoralidin

>  <Synonyms> (897)
N/A

>  <Target> (897)
Estrogen/progestogen Receptor

>  <Form> (897)
free base

>  <CAS> (897)
18642-23-4

>  <URL> (897)
http://selleckchem.com/products/psoralidin.html

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/01132110042D

 42 46  0  0  0  0  0  0  0  0999 V2000
    1.2084    7.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2073    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8518    5.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0711    7.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.4119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    5.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    4.2038    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0709    3.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0712    2.1042    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2740    1.3979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4951    2.0992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4968    3.4992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7052    4.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740    0.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8628    1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7034    1.4016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9143    3.4988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9117    2.0983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1233    1.3953    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3426    2.0974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3435    3.4974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1249    4.2012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5510    1.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1249    5.5965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5519    4.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8628    0.0132    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
  7 11  2  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
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
  8 21  1  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 27 28  1  6  0  0  0
 25 29  1  6  0  0  0
 24 30  1  1  0  0  0
 26 31  1  1  0  0  0
 32 28  1  1  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
 35 38  1  1  0  0  0
 34 39  1  6  0  0  0
 37 40  1  6  0  0  0
 36 41  1  6  0  0  0
 30 42  1  0  0  0  0
M  END
>  <Mol_ID> (898)
898

>  <Formula> (898)
C27H30O15

>  <MolWeight> (898)
594.5181

>  <Cat> (898)
S5468

>  <Name> (898)
Kaempferol-3-O-glucorhamnoside

>  <Synonyms> (898)
Kaempferol 3-neohesperidoside

>  <Target> (898)
Others

>  <Form> (898)
salt

>  <CAS> (898)
40437-72-7

>  <URL> (898)
http://selleckchem.com/products/kaempferol-3-o-glucorhamnoside.html

$$$$
S5516 Ellagic Acid, Dihydrate.cdx
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6391    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    4.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    3.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    5.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    6.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0030    4.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    5.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    3.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4900    6.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7064    0.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  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  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  2  0  0  0  0
  9 11  1  0  0  0  0
 10 15  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (899)
899

>  <Formula> (899)
C14H8O9

>  <MolWeight> (899)
320.20792

>  <Cat> (899)
S5516

>  <Name> (899)
Ellagic Acid hydrate

>  <Synonyms> (899)
N/A

>  <Target> (899)
Casein Kinase

>  <Form> (899)
monohydrate 

>  <CAS> (899)
 314041-08-2

>  <URL> (899)
http://selleckchem.com/products/ellagic-acid-hydrate.html

$$$$
S5529 Galangin.cdx
csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6432    4.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    2.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    4.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    2.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    2.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    6.2592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    6.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0533    2.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2590    4.8593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2658    2.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832    0.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4718    2.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6858    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7180    0.7180    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
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (900)
900

>  <Formula> (900)
C15H10O5

>  <MolWeight> (900)
270.2369

>  <Cat> (900)
S5529

>  <Name> (900)
Galangin

>  <Synonyms> (900)
3,5,7-trihydroxyflavone; Norizalpinin

>  <Target> (900)
P450 (e.g. CYP17)

>  <Form> (900)
free base

>  <CAS> (900)
548-83-4

>  <URL> (900)
http://selleckchem.com/products/galangin.html

$$$$
S5534 Cinchocaine.cdx
csChFnd80/01132110042D

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.4247    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490    2.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    2.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6322    4.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    2.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2011    4.2121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2223    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0764    2.8244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    0.7264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    6.3222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    2.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    7.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5002    2.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    8.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    2.1259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351    9.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9245    2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    0.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351   10.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1367    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9244    0.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (901)
901

>  <Formula> (901)
C20H29N3O2

>  <MolWeight> (901)
343.46316

>  <Cat> (901)
S5534

>  <Name> (901)
Cinchocaine

>  <Synonyms> (901)
Dibucaine

>  <Target> (901)
Others

>  <Form> (901)
free base

>  <CAS> (901)
85-79-0

>  <URL> (901)
http://selleckchem.com/products/cinchocaine.html

$$$$
S5545 DL-Serine.cdx
csChFnd80/01132110042D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  3  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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (902)
902

>  <Formula> (902)
C3H7NO3

>  <MolWeight> (902)
105.09258

>  <Cat> (902)
S5545

>  <Name> (902)
DL-Serine

>  <Synonyms> (902)
N/A

>  <Target> (902)
PKM

>  <CAS> (902)
302-84-1

>  <URL> (902)
http://selleckchem.com/products/dl-serine.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/01132110042D

 72 80  0  0  0  0  0  0  0  0999 V2000
   27.7632   15.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.7632   16.8217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.5586   14.7207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0955   14.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9166   14.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0955   17.2577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   17.5267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.9166   18.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3415   15.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   13.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9155   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5309   18.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3288   16.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5717   18.9228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   14.7207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.3415   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7109   19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8633   19.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   13.3115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.9075   15.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5696   20.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8763   20.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9075   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6904   14.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (903)
903

>  <Formula> (903)
C49H76O20

>  <MolWeight> (903)
985.11574

>  <Cat> (903)
S5554

>  <Name> (903)
Lanatoside C

>  <Synonyms> (903)
N/A

>  <Target> (903)
ATPase

>  <Form> (903)
free base

>  <CAS> (903)
17575-22-3

>  <URL> (903)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5584 Citronellol.cdx
csChFnd80/01132110042D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (904)
904

>  <Formula> (904)
C10H20O

>  <MolWeight> (904)
156.2652

>  <Cat> (904)
S5584

>  <Name> (904)
Citronellol

>  <Synonyms> (904)
dihydrogeraniol, (¡À)-¦Â-Citronellol

>  <Target> (904)
Others

>  <Form> (904)
free base

>  <CAS> (904)
106-22-9

>  <URL> (904)
http://selleckchem.com/products/citronellol.html

$$$$
S5588 Creatine.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (905)
905

>  <Formula> (905)
C4H9N3O2

>  <MolWeight> (905)
131.13316

>  <Cat> (905)
S5588

>  <Name> (905)
Creatine

>  <Synonyms> (905)
Methylguanidoacetic acid

>  <Target> (905)
Others

>  <Form> (905)
free base

>  <CAS> (905)
57-00-1

>  <URL> (905)
http://selleckchem.com/products/creatine.html

$$$$
UM-164.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (906)
906

>  <Formula> (906)
C30H31F3N8O3S

>  <MolWeight> (906)
640.6791496

>  <Cat> (906)
S8706

>  <Name> (906)
UM-164

>  <Synonyms> (906)
N/A

>  <Target> (906)
Src,p38 MAPK

>  <Form> (906)
free base

>  <CAS> (906)
903564-48-7

>  <URL> (906)
http://selleckchem.com/products/um-164.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/01132110042D

 40 43  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 29 31  1  0  0  0  0
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 33 34  2  0  0  0  0
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 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> (907)
907

>  <Formula> (907)
C28H23ClF3N7O

>  <MolWeight> (907)
565.9767296

>  <Cat> (907)
S5205

>  <Name> (907)
Nilotinib hydrochloride

>  <Synonyms> (907)
AMN-107 HCl

>  <Target> (907)
Bcr-Abl

>  <Form> (907)
hydrochloride 

>  <CAS> (907)
923288-95-3

>  <URL> (907)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/01132110042D

 35 37  0  0  0  0  0  0  0  0999 V2000
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   12.6798    4.0677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  4  7  1  0  0  0  0
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 10 11  1  0  0  0  0
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 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (908)
908

>  <Formula> (908)
C22H23ClN4O7S

>  <MolWeight> (908)
522.95862

>  <Cat> (908)
S5240

>  <Name> (908)
lenvatinib Mesylate

>  <Synonyms> (908)
N/A

>  <Target> (908)
VEGFR

>  <Form> (908)
Mesylate

>  <CAS> (908)
 857890-39-2

>  <URL> (908)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$
S5265 TBB.cdx
csChFnd80/01132110042D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.3902    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2006    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  4  2  1  0  0  0  0
  9  2  1  0  0  0  0
  6  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <Mol_ID> (909)
909

>  <Formula> (909)
C6HBr4N3

>  <MolWeight> (909)
434.70824

>  <Cat> (909)
S5265

>  <Name> (909)
TBB

>  <Synonyms> (909)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (909)
Casein Kinase

>  <CAS> (909)
17374-26-4

>  <URL> (909)
http://selleckchem.com/products/tbb.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/01132110042D

 34 36  0  0  0  0  0  0  0  0999 V2000
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    8.9877    8.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0677    6.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    6.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8905    7.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2801    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4926    6.9472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7050    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 10 11  1  0  0  0  0
  8  9  1  0  0  0  0
  4 16  1  0  0  0  0
  2 17  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  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
 19 27  1  0  0  0  0
 22 27  2  0  0  0  0
 20 28  2  0  0  0  0
 24 29  1  0  0  0  0
 18 21  2  0  0  0  0
  5 18  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (910)
910

>  <Formula> (910)
C22H28FN4O6P

>  <MolWeight> (910)
494.4530842

>  <Cat> (910)
S5272

>  <Name> (910)
Toceranib phosphate

>  <Synonyms> (910)
SU11654

>  <Target> (910)
PDGFR¦Â

>  <Form> (910)
phosphate 

>  <CAS> (910)
874819-74-6

>  <URL> (910)
http://selleckchem.com/products/.html

$$$$
ARQ 531.cdx
csChFnd80/01132110042D

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 33 34  2  0  0  0  0
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M  END
>  <Mol_ID> (911)
911

>  <Formula> (911)
C25H23ClN4O4

>  <MolWeight> (911)
478.92752

>  <Cat> (911)
S8711

>  <Name> (911)
ARQ 531

>  <Synonyms> (911)
N/A

>  <Target> (911)
BTK

>  <Form> (911)
free base

>  <CAS> (911)
2095393-15-8

>  <URL> (911)
http://selleckchem.com/products/.html

$$$$
CCT245737.cdx
csChFnd80/01132110042D

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 22 21  1  1  0  0  0
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M  END
>  <Mol_ID> (912)
912

>  <Formula> (912)
C16H16F3N7O

>  <MolWeight> (912)
379.3397496

>  <Cat> (912)
S8253

>  <Name> (912)
CCT245737 

>  <Synonyms> (912)
N/A

>  <Target> (912)
Chk

>  <Form> (912)
free base

>  <CAS> (912)
1489389-18-5

>  <URL> (912)
http://www.selleckchem.com/products/cct245737.html

$$$$
S5542 7-Nitroindazole.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (913)
913

>  <Formula> (913)
C7H5N3O2

>  <MolWeight> (913)
163.1335

>  <Cat> (913)
S5542

>  <Name> (913)
7-Nitroindazole

>  <Synonyms> (913)
N/A

>  <Target> (913)
neuronal?nitric oxide synthase

>  <Form> (913)
free base

>  <CAS> (913)
2942-42-9

>  <URL> (913)
http://selleckchem.com/products/.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (914)
914

>  <Formula> (914)
C30H34N8O3

>  <MolWeight> (914)
554.64276

>  <Cat> (914)
S8724

>  <Name> (914)
Lazertinib (YH25448,GNS-1480)

>  <Form> (914)
free base

>  <CAS> (914)
1903008-80-9

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (915)
915

>  <Formula> (915)
C9H10O5

>  <MolWeight> (915)
198.1727

>  <Cat> (915)
S5550

>  <Name> (915)
Ethyl gallate

>  <Synonyms> (915)
N/A

>  <Target> (915)
NF-¦ÊB

>  <CAS> (915)
831-61-8

>  <URL> (915)
http://selleckchem.com/products/.html

$$$$
S9361 Coumarin-3-carboxylic acid.cdx
csChFnd80/01132110042D

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    0.0000    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0519    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    2.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595    4.1796    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  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  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (916)
916

>  <Formula> (916)
C10H6O4

>  <MolWeight> (916)
190.15224

>  <Cat> (916)
S9361

>  <Name> (916)
Coumarin-3-carboxylic acid

>  <Form> (916)
free base

>  <CAS> (916)
531-81-7

$$$$
S9366 5'-Adenylic acid.cdx
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.8569    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5248    2.4646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0904    1.1338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9118    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6905    1.1359    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8660    0.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2597    2.4679    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3936    3.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288    2.9024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6636    2.9057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0982    4.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018    6.6614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5018    6.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    5.4459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4981    4.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2488    2.3174    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.8885    3.6702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8960    1.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6017    2.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6092    0.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  6  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 14  1  0  0  0  0
 13 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
 12 18  2  0  0  0  0
  9 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
>  <Mol_ID> (917)
917

>  <Formula> (917)
C10H14N5O7P

>  <MolWeight> (917)
347.221221

>  <Cat> (917)
S9366

>  <Name> (917)
5'-Adenylic acid

>  <Form> (917)
free base

>  <CAS> (917)
61-19-8

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/01132110042D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (918)
918

>  <Formula> (918)
C8H8O3

>  <MolWeight> (918)
152.14732

>  <Cat> (918)
S9374

>  <Name> (918)
2',5'-Dihydroxyacetophenone

>  <CAS> (918)
490-78-8

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4329    2.0759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6508    2.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2146    2.7692    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4329    0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    4.1553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8656    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    4.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8861    4.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    7.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    6.9860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    3.6098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    1.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    1.4068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    5.6205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4809    2.6481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  6  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  0  0  0  0
  5 22  1  1  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (919)
919

>  <Formula> (919)
C15H24N2O2

>  <MolWeight> (919)
264.36326

>  <Cat> (919)
S9384

>  <Name> (919)
Sophocarpine Monohydrate

>  <Form> (919)
free base

>  <CAS> (919)
 145572-44-7

$$$$
S9393 (4S)-4-Hydroxy-L-isoleucine.cdx
csChFnd80/01132110042D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  2  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
    1.2124    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  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
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (920)
920

>  <Formula> (920)
C6H13NO3

>  <MolWeight> (920)
147.17232

>  <Cat> (920)
S9393

>  <Name> (920)
(4S)-4-Hydroxy-L-isoleucine

>  <Form> (920)
free base

>  <CAS> (920)
55399-93-4

$$$$
S9406 Sauchinone.cdx
csChFnd80/01132110042D

 29 34  0  0  0  0  0  0  0  0999 V2000
    8.3135    6.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5221    5.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440    4.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375    3.4814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0096    4.1903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0096    5.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2375    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181    1.3973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8023    2.0992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8023    3.5079    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5884    4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5884    5.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8116    6.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3730    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1718    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1718    5.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3682    6.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306    3.7373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8147    6.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4185    6.8339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1195    7.6871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7584    7.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6712    3.4696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5887    2.8072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4347    2.7902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7975    4.8901    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
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
  6 21  1  6  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 23  1  0  0  0  0
  3 24  2  0  0  0  0
 10 25  1  6  0  0  0
  9 26  1  6  0  0  0
  4 27  1  1  0  0  0
  8 28  1  1  0  0  0
  5 29  1  6  0  0  0
M  END
>  <Mol_ID> (921)
921

>  <Formula> (921)
C20H20O6

>  <MolWeight> (921)
356.3692

>  <Cat> (921)
S9406

>  <Name> (921)
Sauchinone

>  <CAS> (921)
177931-17-8

$$$$
S9414 Cyasterone.cdx
csChFnd80/01132110042D

 40 44  0  0  0  0  0  0  0  0999 V2000
    7.3112    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1113    3.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    5.5776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6034    3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    2.8877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1113    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6231    6.0456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1113    6.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    6.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4670    4.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786    3.5009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8982    5.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0056    7.3708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6786    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4524    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786    4.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3438    7.6939    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5881    7.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5506    8.6102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524    1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    3.5009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2998    6.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.6580    6.9224    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
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922

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C29H44O8

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S9414

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Cyasterone

>  <Form> (922)
free base

>  <CAS> (922)
17086-76-9

$$$$
S9417 Homoplantaginin.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (923)
923

>  <Formula> (923)
C22H22O11

>  <MolWeight> (923)
462.40348

>  <Cat> (923)
S9417

>  <Name> (923)
Homoplantaginin

>  <Form> (923)
free base

>  <CAS> (923)
17680-84-1

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (924)
924

>  <Formula> (924)
C22H24NO4+

>  <MolWeight> (924)
366.43026

>  <Cat> (924)
S9431

>  <Name> (924)
Dehydrocorydalin

>  <Form> (924)
free base

>  <CAS> (924)
30045-16-0

$$$$

csChFnd80/01132110042D

 12 12  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (925)
925

>  <Formula> (925)
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>  <MolWeight> (925)
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>  <Cat> (925)
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>  <Name> (925)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (925)
NSC7908

>  <Target> (925)
JAK

>  <Form> (925)
Free Base

>  <CAS> (925)
1837-91-8

>  <URL> (925)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (926)
926

>  <Formula> (926)
C16H15N3O3

>  <MolWeight> (926)
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>  <Cat> (926)
S5903

>  <Name> (926)
JANEX-1

>  <Synonyms> (926)
WHI-P131

>  <Target> (926)
JAK

>  <Form> (926)
Free Base

>  <CAS> (926)
202475-60-3

>  <URL> (926)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/01132110042D

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   10.9361    6.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  1  6  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
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 13 14  2  0  0  0  0
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 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
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 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (927)
927

>  <Formula> (927)
C16H13Br2N3O3

>  <MolWeight> (927)
455.10072

>  <Cat> (927)
S5904

>  <Name> (927)
WHI-P97

>  <Synonyms> (927)
N/A

>  <Target> (927)
JAK

>  <Form> (927)
Free Base

>  <CAS> (927)
211555-05-4

>  <URL> (927)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/01132110042D

 29 33  0  0  0  0  0  0  0  0999 V2000
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    3.3125    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7579    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3227    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0473    6.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0373    4.5682    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
  1  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
  7 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  2  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
 24 27  1  0  0  0  0
 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 19 22  1  0  0  0  0
 11 16  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (928)
928

>  <Formula> (928)
C22H23N5O2

>  <MolWeight> (928)
389.45032

>  <Cat> (928)
S5917

>  <Name> (928)
Solcitinib

>  <Synonyms> (928)
GLPG0778, GSK2586184

>  <Target> (928)
JAK

>  <Form> (928)
Free Base

>  <CAS> (928)
1206163-45-2

>  <URL> (928)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/01132110042D

 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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  1  2  1  0  0  0  0
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  3  5  1  0  0  0  0
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 10 11  1  0  0  0  0
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 11 14  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> (929)
929

>  <Formula> (929)
C19H33NO2

>  <MolWeight> (929)
307.47082

>  <Cat> (929)
S5950

>  <Name> (929)
Fingolimod

>  <Form> (929)
Free Base

>  <CAS> (929)
162359-55-9

$$$$

csChFnd80/01132110042D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.7472    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9596    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9596    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (930)
930

>  <Formula> (930)
C17H16N4O2S2

>  <MolWeight> (930)
372.46454

>  <Cat> (930)
S7302

>  <Name> (930)
TEPP-46 (ML265, CID-44246499, NCGC00186528)

>  <Synonyms> (930)
N/A

>  <Target> (930)
PKM

>  <Form> (930)
Free Base

>  <CAS> (930)
1221186-53-3

>  <URL> (930)
http://www.selleckchem.com/products/tepp-46.html

$$$$

csChFnd80/01132110042D

 38 43  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (931)
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N/A

>  <Target> (931)
Raf

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Free Base

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1393466-87-9

>  <URL> (931)
http://www.selleckchem.com/products/plx8394.html

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csChFnd80/01132110042D

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932

>  <Formula> (932)
C16H20BrN5O

>  <MolWeight> (932)
378.2669

>  <Cat> (932)
S8526

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GDC-0575 (ARRY-575, RG7741)

>  <Synonyms> (932)
N/A

>  <Target> (932)
Chk

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Free Base

>  <CAS> (932)
1196541-47-5

>  <URL> (932)
http://www.selleckchem.com/products/gdc-0575.html

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csChFnd80/01132110042D

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933

>  <Formula> (933)
C24H28N4O3

>  <MolWeight> (933)
420.50412

>  <Cat> (933)
S8556

>  <Name> (933)
AZ31

>  <Synonyms> (933)
N/A

>  <Target> (933)
ATM/ATR

>  <Form> (933)
Free Base

>  <CAS> (933)
2088113-98-6

>  <URL> (933)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/01132110042D

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934

>  <Formula> (934)
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>  <MolWeight> (934)
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>  <Cat> (934)
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>  <Name> (934)
Seletalisib (UCB-5857)

>  <Synonyms> (934)
N/A

>  <Target> (934)
PI3K

>  <Form> (934)
Free Base

>  <CAS> (934)
1362850-20-1

>  <URL> (934)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

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935

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>  <Cat> (935)
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>  <Target> (935)
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1234356-69-4

>  <URL> (935)
http://www.selleckchem.com/products/derazantinib.html

$$$$

csChFnd80/01132110042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (936)
936

>  <Formula> (936)
C13H12ClN3O2

>  <MolWeight> (936)
277.70628

>  <Cat> (936)
S8641

>  <Name> (936)
Nec-1s (7-Cl-O-Nec1)

>  <Synonyms> (936)
Necrostatin-1 stable

>  <Target> (936)
TNF-alpha

>  <Form> (936)
Free Base

>  <CAS> (936)
852391-15-2

>  <URL> (936)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/01132110042D

 31 35  0  0  0  0  0  0  0  0999 V2000
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    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
    4.5792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.9000    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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   16.6709    5.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 12 31  1  0  0  0  0
M  END
>  <Mol_ID> (937)
937

>  <Formula> (937)
C24H18ClN3O3

>  <MolWeight> (937)
431.87102

>  <Cat> (937)
S8654

>  <Name> (937)
ex229 (compound 991)

>  <Synonyms> (937)
N/A

>  <Target> (937)
AMPK

>  <Form> (937)
Free Base

>  <CAS> (937)
1219739-36-2

>  <URL> (937)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/01132110042D

 35 39  0  0  0  0  0  0  0  0999 V2000
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   11.0226    9.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4787    2.9229    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
  4  8  1  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  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  7  1  0  0  0  0
 14 16  1  0  0  0  0
 13 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
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  9 30  1  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  1  0  0  0  0
 34 30  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (938)
938

>  <Formula> (938)
C24H23FN8O2

>  <MolWeight> (938)
474.4902232

>  <Cat> (938)
S8679

>  <Name> (938)
BTK inhibitor 1 (Compound 27)

>  <Synonyms> (938)
N/A

>  <Target> (938)
BTK

>  <Form> (938)
Free Base

>  <CAS> (938)
2230724-66-8

>  <URL> (938)
http://www.selleckchem.com/products/btk-inhibitor-1-compound27.html

$$$$

csChFnd80/01132110042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (939)
939

>  <Formula> (939)
C14H11ClN4S2

>  <MolWeight> (939)
334.84694

>  <Cat> (939)
S8700

>  <Name> (939)
TP0427736 HCl

>  <Synonyms> (939)
N/A

>  <Target> (939)
ALK

>  <Form> (939)
hydrochloride

>  <CAS> (939)
864374-00-5

>  <URL> (939)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/01132110042D

 36 39  0  0  0  0  0  0  0  0999 V2000
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 23  8  2  0  0  0  0
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 26 20  1  0  0  0  0
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M  END
>  <Mol_ID> (940)
940

>  <Formula> (940)
C28H30FN3O4

>  <MolWeight> (940)
491.5539032

>  <Cat> (940)
S8723

>  <Name> (940)
ABBV-744

>  <Synonyms> (940)
N/A

>  <Target> (940)
Epigenetic Reader Do

>  <Form> (940)
Free Base

>  <CAS> (940)
2138861-99-9

>  <URL> (940)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/01132110042D

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  2  3  1  0  0  0  0
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  5  6  2  0  0  0  0
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  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
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 14  9  1  0  0  0  0
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  8 27  1  0  0  0  0
M  END
>  <Mol_ID> (941)
941

>  <Formula> (941)
C18H18FN5O2S

>  <MolWeight> (941)
387.4312232

>  <Cat> (941)
S8727

>  <Name> (941)
Atuveciclib (BAY-1143572)

>  <Synonyms> (941)
N/A

>  <Target> (941)
CDK

>  <Form> (941)
Free Base

>  <CAS> (941)
1414943-88-6

>  <URL> (941)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/01132110042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (942)
942

>  <Formula> (942)
C20H16N4O

>  <MolWeight> (942)
328.36724

>  <Cat> (942)
S8729

>  <Name> (942)
AZ32

>  <Synonyms> (942)
N/A

>  <Target> (942)
ATM/ATR

>  <Form> (942)
Free Base

>  <CAS> (942)
No CAS

>  <URL> (942)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/01132110042D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (943)
943

>  <Formula> (943)
C17H20F3N7O2

>  <MolWeight> (943)
411.3816096

>  <Cat> (943)
S8738

>  <Name> (943)
Bimiralisib (PQR309)

>  <Synonyms> (943)
N/A

>  <Target> (943)
PI3K

>  <Form> (943)
Free Base

>  <CAS> (943)
1225037-39-7

>  <URL> (943)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/01132110042D

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M  END
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944

>  <Formula> (944)
C26H26FN7O2

>  <MolWeight> (944)
487.5287432

>  <Cat> (944)
S8741

>  <Name> (944)
Avitinib (AC0010)

>  <Synonyms> (944)
N/A

>  <Target> (944)
EGFR

>  <Form> (944)
Free Base

>  <CAS> (944)
1557267-42-1

>  <URL> (944)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

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>  <Mol_ID> (945)
945

>  <Formula> (945)
C25H25F3N4O4

>  <MolWeight> (945)
502.4856096

>  <Cat> (945)
S8745

>  <Name> (945)
LXH254

>  <Synonyms> (945)
N/A

>  <Target> (945)
Raf

>  <Form> (945)
Free Base

>  <CAS> (945)
1800398-38-2

>  <URL> (945)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (946)
946

>  <Formula> (946)
C22H18N4

>  <MolWeight> (946)
338.40512

>  <Cat> (946)
S8749

>  <Name> (946)
MBQ-167

>  <Synonyms> (946)
N/A

>  <Target> (946)
Rho

>  <Form> (946)
Free Base

>  <CAS> (946)
2097938-73-1

>  <URL> (946)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (947)
947

>  <Formula> (947)
C21H25F3N6O2

>  <MolWeight> (947)
450.4574096

>  <Cat> (947)
S8752

>  <Name> (947)
leniolisib(CDZ 173)

>  <Synonyms> (947)
N/A

>  <Target> (947)
PI3K

>  <Form> (947)
Free Base

>  <CAS> (947)
1354690-24-6

>  <URL> (947)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

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M  END
>  <Mol_ID> (948)
948

>  <Formula> (948)
C19H15N3O6S

>  <MolWeight> (948)
413.4039

>  <Cat> (948)
S8754

>  <Name> (948)
Alofanib(RPT835)

>  <Synonyms> (948)
N/A

>  <Target> (948)
FGFR

>  <Form> (948)
Free Base

>  <CAS> (948)
1612888-66-0

>  <URL> (948)
http://www.selleckchem.com/products/alofanib-rpt835.html

$$$$

csChFnd80/01132110042D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (949)
949

>  <Formula> (949)
C24H21BrFN5O2

>  <MolWeight> (949)
510.3582432

>  <Cat> (949)
S8757

>  <Name> (949)
Ripretinib (DCC-2618)

>  <Synonyms> (949)
N/A

>  <Target> (949)
c-Kit

>  <Form> (949)
Free Base

>  <CAS> (949)
1442472-39-0

>  <URL> (949)
http://www.selleckchem.com/products/ripretinib-dcc-2618.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (950)
950

>  <Formula> (950)
C26H23FN8O

>  <MolWeight> (950)
482.5122232

>  <Cat> (950)
S8764

>  <Name> (950)
IITZ-01

>  <Synonyms> (950)
N/A

>  <Target> (950)
Autophagy

>  <Form> (950)
Free Base

>  <CAS> (950)
1807988-47-1

>  <URL> (950)
http://www.selleckchem.com/products/iitz-01.html

$$$$
S9023 20S-Ginsenoside Rh2.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (951)
951

>  <Formula> (951)
C36H62O8

>  <MolWeight> (951)
622.87268

>  <Cat> (951)
S9023

>  <Name> (951)
20S-Ginsenoside Rh2

>  <Form> (951)
free base

>  <CAS> (951)
78214-33-2

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (952)
952

>  <Formula> (952)
C38H46O8

>  <MolWeight> (952)
630.76704

>  <Cat> (952)
S9031

>  <Name> (952)
Gambogenic acid

>  <Form> (952)
free base

>  <CAS> (952)
173932-75-7

$$$$
S9071 Nootkatone.cdx
csChFnd80/01132110042D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (953)
953

>  <Formula> (953)
C15H22O

>  <MolWeight> (953)
218.33458

>  <Cat> (953)
S9071

>  <Name> (953)
Nootkatone

>  <Form> (953)
free base

>  <CAS> (953)
4674-50-4

$$$$
S9075 Mulberroside A.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (954)
954

>  <Formula> (954)
C26H32O14

>  <MolWeight> (954)
568.52388

>  <Cat> (954)
S9075

>  <Name> (954)
Mulberroside A

>  <Form> (954)
free base

>  <CAS> (954)
102841-42-9

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/01132110042D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (955)
955

>  <Formula> (955)
C21H20O6

>  <MolWeight> (955)
368.3799

>  <Cat> (955)
S9080

>  <Name> (955)
Anhydroicaritin

>  <Form> (955)
free base

>  <CAS> (955)
118525-40-9

$$$$
S9084 Rhoifolin.cdx
csChFnd80/01132110042D

 41 45  0  0  0  0  0  0  0  0999 V2000
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17306-46-6

$$$$
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23599-69-1

$$$$

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free base

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30220-46-3

$$$$
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>  <Cat> (959)
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Magnolin

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31008-18-1

$$$$
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41059-79-4

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csChFnd80/01132110042D

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961

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>  <MolWeight> (961)
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>  <Cat> (961)
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Isorhamnetin

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free base

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480-19-3

$$$$
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csChFnd80/01132110042D

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>  <MolWeight> (962)
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>  <Cat> (962)
S9112

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>  <Form> (962)
free base

>  <CAS> (962)
482-38-2

$$$$
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csChFnd80/01132110042D

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M  END
>  <Mol_ID> (967)
967

>  <Formula> (967)
C37H40N2O6

>  <MolWeight> (967)
608.7233

>  <Cat> (967)
S9141

>  <Name> (967)
Berbamine

>  <Form> (967)
free base

>  <CAS> (967)
478-61-5

$$$$
S9152 Epiberberine.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (968)
968

>  <Formula> (968)
C20H18NO4+

>  <MolWeight> (968)
336.36122

>  <Cat> (968)
S9152

>  <Name> (968)
Epiberberine

>  <Form> (968)
free base

>  <CAS> (968)
1816598

$$$$
S9159 Momordin Ic.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (969)
969

>  <Formula> (969)
C41H64O13

>  <MolWeight> (969)
764.93906

>  <Cat> (969)
S9159

>  <Name> (969)
Momordin Ic

>  <Form> (969)
free base

>  <CAS> (969)
96990-18-0

$$$$
S9162 Rubimaillin.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (970)
970

>  <Formula> (970)
C17H16O4

>  <MolWeight> (970)
284.30654

>  <Cat> (970)
S9162

>  <Name> (970)
Rubimaillin

>  <CAS> (970)
55481-88-4

$$$$
S9172 Phellodendrine.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (971)
971

>  <Formula> (971)
C20H24NO4+

>  <MolWeight> (971)
342.40886

>  <Cat> (971)
S9172

>  <Name> (971)
Phellodendrine

>  <Form> (971)
free base

>  <CAS> (971)
6873-13-8

$$$$
S9184 Forsythoside B.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (972)
972

>  <Formula> (972)
C34H44O19

>  <MolWeight> (972)
756.70176

>  <Cat> (972)
S9184

>  <Name> (972)
Forsythoside B

>  <Form> (972)
free base

>  <CAS> (972)
81525-13-5

$$$$
S9190 Oroxin B.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (973)
973

>  <Formula> (973)
C27H30O15

>  <MolWeight> (973)
594.5181

>  <Cat> (973)
S9190

>  <Name> (973)
Oroxin B

>  <Form> (973)
free base

>  <CAS> (973)
114482-86-9

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (974)
974

>  <Formula> (974)
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>  <MolWeight> (974)
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>  <Cat> (974)
S2009

>  <Name> (974)
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>  <Synonyms> (974)
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>  <Target> (974)
CDK

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Free Base

>  <CAS> (974)
160807-49-8

>  <URL> (974)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (975)
975

>  <Formula> (975)
C20H20N4O3S

>  <MolWeight> (975)
396.4628

>  <Cat> (975)
S2039

>  <Name> (975)
IRAK inhibitor 6

>  <Synonyms> (975)
N/A

>  <Target> (975)
IL Receptor

>  <Form> (975)
Free Base

>  <CAS> (975)
1042672-97-8

>  <URL> (975)
http://www.selleck.cn/products/irak-inhibitor-6.html

$$$$
S9230 Vaccarin.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (976)
976

>  <Formula> (976)
C32H38O19

>  <MolWeight> (976)
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>  <Cat> (976)
S9230

>  <Name> (976)
Vaccarin

>  <Form> (976)
free base

>  <CAS> (976)
53452-16-7

$$$$
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csChFnd80/01132110042D

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>  <Mol_ID> (977)
977

>  <Formula> (977)
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>  <MolWeight> (977)
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>  <Cat> (977)
S9240

>  <Name> (977)
Isofraxidin

>  <Form> (977)
free base

>  <CAS> (977)
486-21-5

$$$$
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csChFnd80/01132110042D

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 32 25  1  0  0  0  0
 33 25  2  0  0  0  0
 12 34  1  1  0  0  0
 35 15  1  0  0  0  0
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 12  7  1  0  0  0  0
 16  8  1  0  0  0  0
M  END
>  <Mol_ID> (978)
978

>  <Formula> (978)
C27H32O14

>  <MolWeight> (978)
580.53458

>  <Cat> (978)
S9242

>  <Name> (978)
Narirutin

>  <Form> (978)
free base

>  <CAS> (978)
14259-46-2

$$$$
S9275 Isoguanosine.cdx
csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6385    5.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9701    5.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  5 10  1  0  0  0  0
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 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
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 15 18  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  6  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (979)
979

>  <Formula> (979)
C10H13N5O5

>  <MolWeight> (979)
283.24072

>  <Cat> (979)
S9275

>  <Name> (979)
Isoguanosine

>  <Form> (979)
free base

>  <CAS> (979)
1818-71-9

$$$$

csChFnd80/01132110042D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.5124    0.0000 C   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  1  0  0  0  0
  3  1  1  0  0  0  0
  1  2  1  0  0  0  0
 19  3  2  0  0  0  0
  3 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  8 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 16 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
 23 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (980)
980

>  <Formula> (980)
C19H21N3O2S

>  <MolWeight> (980)
355.45394

>  <Cat> (980)
S2070

>  <Name> (980)
ISCK03

>  <Synonyms> (980)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (980)
c-Kit

>  <Form> (980)
Free Base

>  <CAS> (980)
945526-43-2

>  <URL> (980)
http://www.selleck.cn/products/isck03.html

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/01132110042D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8437    2.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2041    3.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    1.4202    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2041    1.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    1.4202    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4219    2.8255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6327    3.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327    0.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    3.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3719    2.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    4.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    0.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6825    4.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    4.2009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  8  1  1  0  0  0  0
  2  3  1  0  0  0  0
 11  2  2  0  0  0  0
  2  5  1  0  0  0  0
 14  3  1  0  0  0  0
  5  4  1  0  0  0  0
  9  4  1  0  0  0  0
  4 19  1  6  0  0  0
  6  7  1  0  0  0  0
 13  6  1  0  0  0  0
  6 15  1  6  0  0  0
  9  6  1  0  0  0  0
  7  8  1  0  0  0  0
 10  7  1  0  0  0  0
  7 18  1  1  0  0  0
 12 10  2  0  0  0  0
 16 10  1  0  0  0  0
 13 17  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (981)
981

>  <Formula> (981)
C15H20O2

>  <MolWeight> (981)
232.3181

>  <Cat> (981)
S9314

>  <Name> (981)
Atractylenolide II

>  <Form> (981)
free base

>  <CAS> (981)
73069-14-4

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/01132110042D

 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
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    6.0756    6.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    8.6863    3.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  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
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  9 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 17  1  0  0  0  0
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 12 19  1  0  0  0  0
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 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> (982)
982

>  <Formula> (982)
C21H22O7

>  <MolWeight> (982)
386.39518

>  <Cat> (982)
S9315

>  <Name> (982)
Praeruptorin A

>  <Form> (982)
free base

>  <CAS> (982)
73069-25-7

$$$$
S5548 7-Hydroxy-4-chromone.cdx
csChFnd80/01132110042D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.6428    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4322    2.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0677    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2180    2.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    0.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0640    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
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  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 11  2  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (983)
983

>  <Formula> (983)
C9H6O3

>  <MolWeight> (983)
162.14214

>  <Cat> (983)
S5548

>  <Name> (983)
7-Hydroxy-4-chromone

>  <Target> (983)
Src

>  <Form> (983)
free base

>  <CAS> (983)
59887-89-7

>  <URL> (983)
http://selleckchem.com/products/.html

$$$$
S5617 Myristic Acid.cdx
csChFnd80/01132110042D

 16 15  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    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
    7.2746    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
    6.0622    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
    4.8497    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
    3.6373    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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (984)
984

>  <Formula> (984)
C14H28O2

>  <MolWeight> (984)
228.37092

>  <Cat> (984)
S5617

>  <Name> (984)
Myristic Acid

>  <Form> (984)
free base

>  <CAS> (984)
544-63-8

$$$$
S9041 Corosolic acid.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (985)
985

>  <Formula> (985)
C30H48O4

>  <MolWeight> (985)
472.69972

>  <Cat> (985)
S9041

>  <Name> (985)
Corosolic acid

>  <Form> (985)
free base

>  <CAS> (985)
4547-24-4

$$$$
S9042 Wedelolactone.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (986)
986

>  <Formula> (986)
C16H10O7

>  <MolWeight> (986)
314.2464

>  <Cat> (986)
S9042

>  <Name> (986)
Wedelolactone

>  <Form> (986)
free base

>  <CAS> (986)
524-12-9

$$$$
S9022 20S-Ginsenoside Rg3.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (987)
987

>  <Formula> (987)
C42H72O13

>  <MolWeight> (987)
785.01328

>  <Cat> (987)
S9022

>  <Name> (987)
20S-Ginsenoside Rg3

>  <Form> (987)
free base

>  <CAS> (987)
14197-60-5

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (988)
988

>  <Formula> (988)
C16H14N2O2

>  <MolWeight> (988)
266.29456

>  <Cat> (988)
S2115

>  <Name> (988)
RG 13022

>  <Synonyms> (988)
Tyrphostin RG13022

>  <Target> (988)
EGFR

>  <Form> (988)
Free Base

>  <CAS> (988)
136831-48-6

>  <URL> (988)
http://www.selleck.cn/products/rg-13022.html

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/01132110042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (989)
989

>  <Formula> (989)
C15H8O4

>  <MolWeight> (989)
252.22162

>  <Cat> (989)
S9359

>  <Name> (989)
Anthraquinone-2-carboxylic Acid

>  <Form> (989)
free base

>  <CAS> (989)
117-78-2

$$$$
S9376 Benzylacetone.cdx
csChFnd80/01132110042D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4385    2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0471    2.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7095    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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  8 10  1  0  0  0  0
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M  END
>  <Mol_ID> (990)
990

>  <Formula> (990)
C10H12O

>  <MolWeight> (990)
148.20168

>  <Cat> (990)
S9376

>  <Name> (990)
Benzylacetone

>  <Form> (990)
free base

>  <CAS> (990)
2550-26-7

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (991)
991

>  <Formula> (991)
C43H44ClFN4O11S3

>  <MolWeight> (991)
943.4760632

>  <Cat> (991)
S5241

>  <Name> (991)
Lapatinib ditosylate monohydrate

>  <Synonyms> (991)
Tykerb Ditosylate

>  <Target> (991)
Others

>  <Form> (991)
ditosylate monohydrate

>  <CAS> (991)
388082-78-8

>  <URL> (991)
http://selleckchem.com/products/.html

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/01132110042D

 34 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (992)
992

>  <Formula> (992)
C22H27Cl2N7O2S

>  <MolWeight> (992)
524.46648

>  <Cat> (992)
S5254

>  <Name> (992)
Dasatinib hydrochloride

>  <Synonyms> (992)
BMS 354825 hydrochloride

>  <Target> (992)
Abl/Src

>  <Form> (992)
hydrochloride 

>  <CAS> (992)
854001-07-3

>  <URL> (992)
http://selleckchem.com/products/.html

$$$$
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csChFnd80/01132110042D

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>  <Mol_ID> (993)
993

>  <Formula> (993)
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>  <MolWeight> (993)
506.5933864

>  <Cat> (993)
S5716

>  <Name> (993)
Abemaciclib

>  <Synonyms> (993)
LY2835219

>  <Target> (993)
CDK

>  <Form> (993)
free base

>  <CAS> (993)
1231929-97-7 

>  <URL> (993)
http://selleckchem.com/products/abemaciclib.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/01132110042D

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>  <Mol_ID> (994)
994

>  <Formula> (994)
C21H19N3O5

>  <MolWeight> (994)
393.39266

>  <Cat> (994)
S5667

>  <Name> (994)
Fruquintinib

>  <Target> (994)
VEGFRs

>  <CAS> (994)
1194506-26-7

>  <URL> (994)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (995)
995

>  <Formula> (995)
C30H34N4O2

>  <MolWeight> (995)
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>  <Cat> (995)
S2762

>  <Name> (995)
Alectinib (CH5424802)

>  <Synonyms> (995)
AF-802,RG-7853

>  <Target> (995)
ALK

>  <Form> (995)
Free Base

>  <CAS> (995)
1256580-46-7

>  <URL> (995)
http://www.selleckchem.com/products/ch5424802.html

$$$$

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    8.2886    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0761    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0761    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7134    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7134    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1383    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0761    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8637    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2886    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3465    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9589    9.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9800    5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    5.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    7.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7800    5.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  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  7  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
  9 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  9  1  0  0  0  0
 21 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 30 36  1  0  0  0  0
 11 37  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (996)
996

>  <Formula> (996)
C29H37N7O5S

>  <MolWeight> (996)
595.71298

>  <Cat> (996)
S5078

>  <Name> (996)
Osimertinib mesylate

>  <Synonyms> (996)
AZD9291 mesylate

>  <Target> (996)
EGFR

>  <Form> (996)
mesylate

>  <CAS> (996)
1421373-66-1

>  <URL> (996)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/01132110042D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.2159    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    2.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4284    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1848    4.2158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8534    3.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8534    2.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1078    4.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1077    1.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5077    1.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2077    0.6579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6077    0.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3077    1.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6078    3.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2078    3.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5078    4.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3080    4.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7080    4.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6160    5.5426    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  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
  6  7  2  0  0  0  0
 14 15  1  0  0  0  0
  7 12  1  0  0  0  0
 15 16  2  0  0  0  0
  1  2  1  0  0  0  0
 15 17  1  0  0  0  0
 11  8  1  0  0  0  0
 17 18  1  0  0  0  0
  3  4  1  0  0  0  0
 18 19  2  0  0  0  0
  8  9  2  0  0  0  0
 19 20  1  0  0  0  0
  9  6  1  0  0  0  0
 20 21  2  0  0  0  0
 11 12  2  0  0  0  0
 21 22  1  0  0  0  0
  4  5  2  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
  5  1  1  0  0  0  0
 23 24  1  0  0  0  0
  2  3  2  0  0  0  0
 22 25  1  0  0  0  0
  1  6  1  0  0  0  0
 25 26  1  0  0  0  0
 10 27  1  0  0  0  0
M  END
>  <Mol_ID> (997)
997

>  <Formula> (997)
C19H17N4NaO2S

>  <MolWeight> (997)
388.41865

>  <Cat> (997)
S5502

>  <Name> (997)
Ilaprazole sodium

>  <Synonyms> (997)
IY-81149 sodium

>  <Target> (997)
Proton Pump

>  <Form> (997)
Sodium Salt

>  <CAS> (997)
172152-50-0

>  <URL> (997)
http://www.selleckchem.com/products/iiaprazole-sodium.html

$$$$

csChFnd80/01132110042D

 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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    9.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.8497    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    6.4294    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (998)
998

>  <Formula> (998)
C16H21Cl2N3

>  <MolWeight> (998)
326.26404

>  <Cat> (998)
S5670

>  <Name> (998)
Chloropyramine hydrochloride

>  <Synonyms> (998)
Halopyramine hydrochloride

>  <Target> (998)
Histamine Receptor

>  <Form> (998)
hydrochloride

>  <CAS> (998)
6170-42-9

>  <URL> (998)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/01132110042D

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.2817    7.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652    8.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6454    7.7618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5166    8.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6846    7.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8127    6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    6.3537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4447    6.3641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0035    5.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1285    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2722    5.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8866    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0939    3.4287    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0939    4.8262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4914    3.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    2.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  3  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 12  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
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
 19 21  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  6  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  4 22  1  0  0  0  0
  2  6  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (999)
999

>  <Formula> (999)
C16H20N7O6PS

>  <MolWeight> (999)
469.412061

>  <Cat> (999)
S5754

>  <Name> (999)
Baricitinib phosphate

>  <Synonyms> (999)
INCB-028050 phosphate, LY-3009104 phosphate 

>  <Target> (999)
JAK

>  <Form> (999)
phosphate

>  <CAS> (999)
1187595-84-1

>  <URL> (999)
http://www.selleckchem.com/products/baricitinib-phosphate.html

$$$$

csChFnd80/01132110042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    1.2724    1.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4081    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    2.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9736    3.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3688    3.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4659    4.9234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0674    2.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1614    3.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5613    3.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2658    4.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5704    6.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1704    6.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6610    4.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Free Base

>  <CAS> (1,004)
1898283-02-7

>  <URL> (1,004)
http://www.selleckchem.com/products/ly3200882.html

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csChFnd80/01132110042D

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M  END
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1005

>  <Formula> (1,005)
C24H24N4O

>  <MolWeight> (1,005)
384.47356

>  <Cat> (1,005)
S8775

>  <Name> (1,005)
HS-1371

>  <Synonyms> (1,005)
N/A

>  <Target> (1,005)
Serine/threonin kina

>  <Form> (1,005)
Free Base

>  <CAS> (1,005)
2158197-70-5

>  <URL> (1,005)
http://www.selleckchem.com/products/hs-1371.html

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csChFnd80/01132110042D

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1006

>  <Formula> (1,006)
C25H27N5O2

>  <MolWeight> (1,006)
429.51418

>  <Cat> (1,006)
S8777

>  <Name> (1,006)
Evobrutinib

>  <Synonyms> (1,006)
M-2951, MSC-2364447C

>  <Target> (1,006)
BTK

>  <Form> (1,006)
Free Base

>  <CAS> (1,006)
1415823-73-2

>  <URL> (1,006)
http://www.selleckchem.com/products/evobrutinib.html

$$$$

csChFnd80/01132110042D

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1007

>  <Formula> (1,007)
C22H21F3N6O2

>  <MolWeight> (1,007)
458.4363496

>  <Cat> (1,007)
S8801

>  <Name> (1,007)
CC-90003

>  <Synonyms> (1,007)
N/A

>  <Target> (1,007)
ERK

>  <Form> (1,007)
Free Base

>  <CAS> (1,007)
1621999-82-3

>  <URL> (1,007)
http://www.selleckchem.com/products/cc-90003.html

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1008

>  <Formula> (1,008)
C27H19ClN2O3

>  <MolWeight> (1,008)
454.90436

>  <Cat> (1,008)
S8803

>  <Name> (1,008)
MK-3903

>  <Synonyms> (1,008)
N/A

>  <Target> (1,008)
AMPK

>  <Form> (1,008)
Free Base

>  <CAS> (1,008)
1219737-12-8

>  <URL> (1,008)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/01132110042D

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  5  6  2  0  0  0  0
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  4  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 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
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 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
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 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  7 21  1  0  0  0  0
  5 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  6  0  0  0
 35 38  1  1  0  0  0
 34 39  1  6  0  0  0
 33 40  1  6  0  0  0
 32 30  1  1  0  0  0
 26 30  1  6  0  0  0
 41 42  1  0  0  0  0
 29 41  1  1  0  0  0
 28 43  1  6  0  0  0
 27 44  1  1  0  0  0
 23 25  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,009)
1009

>  <Formula> (1,009)
C28H32O16

>  <MolWeight> (1,009)
624.54408

>  <Cat> (1,009)
S9455

>  <Name> (1,009)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (1,009)
N/A

>  <Target> (1,009)
Others

>  <Form> (1,009)
Free Base

>  <CAS> (1,009)
55033-90-4

>  <URL> (1,009)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/01132110042D

 38 42  0  0  0  0  0  0  0  0999 V2000
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    6.1465    3.4678    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 20  4  1  0  0  0  0
  4 23  1  1  0  0  0
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 13  5  1  0  0  0  0
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 10  6  1  0  0  0  0
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  6 32  1  1  0  0  0
 14  7  1  0  0  0  0
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 14  9  1  0  0  0  0
 18 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,010)
1010

>  <Formula> (1,010)
C30H48O5

>  <MolWeight> (1,010)
488.69912

>  <Cat> (1,010)
S9514

>  <Name> (1,010)
Rotundic acid

>  <Synonyms> (1,010)
Rutundic acid

>  <Target> (1,010)
Others

>  <Form> (1,010)
Free Base

>  <CAS> (1,010)
20137-37-5

>  <URL> (1,010)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,011)
1011

>  <Formula> (1,011)
C17H16O5

>  <MolWeight> (1,011)
300.30594

>  <Cat> (1,011)
S9552

>  <Name> (1,011)
Farrerol

>  <Synonyms> (1,011)
N/A

>  <Target> (1,011)
Others

>  <Form> (1,011)
Free Base

>  <CAS> (1,011)
24211-30-1

>  <URL> (1,011)
http://www.selleckchem.com/products/farrerol.html

$$$$

csChFnd80/01132110042D

 12 12  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,012)
1012

>  <Formula> (1,012)
C10H10O2

>  <MolWeight> (1,012)
162.1852

>  <Cat> (1,012)
S6221

>  <Name> (1,012)
Methyl cinnamate

>  <Synonyms> (1,012)
N/A

>  <Target> (1,012)
Others

>  <Form> (1,012)
free base

>  <CAS> (1,012)
103-26-4

>  <URL> (1,012)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/01132110042D

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    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    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    4.9000    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
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,013)
1013

>  <Formula> (1,013)
C7H9N5

>  <MolWeight> (1,013)
163.17986

>  <Cat> (1,013)
S6088

>  <Name> (1,013)
6-(Dimethylamino)purine

>  <Synonyms> (1,013)
N,N-Dimethyladenine

>  <Target> (1,013)
Serine/threonin kina

>  <Form> (1,013)
free base

>  <CAS> (1,013)
938-55-6

>  <URL> (1,013)
http://www.selleck.cn/products/6-dimethylamino-purine.html

$$$$

csChFnd80/01132110042D

 13 13  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,014)
1014

>  <Formula> (1,014)
C9H10O4

>  <MolWeight> (1,014)
182.1733

>  <Cat> (1,014)
S6338

>  <Name> (1,014)
3,4-Dihydroxyhydrocinnamic acid

>  <Synonyms> (1,014)
Dihydrocaffeic acid

>  <Target> (1,014)
Others

>  <Form> (1,014)
free base

>  <CAS> (1,014)
1078-61-1

>  <URL> (1,014)
http://www.selleck.cn/products/3-4-dihydroxyhydrocinnamic-acid.html

$$$$

csChFnd80/01132110042D

 38 43  0  0  0  0  0  0  0  0999 V2000
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    5.8531    5.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8531    8.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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  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 11  1  0  0  0  0
 14 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 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 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
 23 38  1  0  0  0  0
M  END
>  <Mol_ID> (1,015)
1015

>  <Formula> (1,015)
C25H23FN8O2S2

>  <MolWeight> (1,015)
550.6309232

>  <Cat> (1,015)
S7564

>  <Name> (1,015)
SAR125844

>  <Synonyms> (1,015)
N/A

>  <Target> (1,015)
c-Met

>  <Form> (1,015)
free base

>  <CAS> (1,015)
1116743-46-4

>  <URL> (1,015)
http://www.selleck.cn/products/sar125844.html

$$$$

csChFnd80/01132110042D

 34 37  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  1  0  0  0  0
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  8 10  2  0  0  0  0
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 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 14 18  1  0  0  0  0
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  7 31  1  0  0  0  0
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M  END
>  <Mol_ID> (1,016)
1016

>  <Formula> (1,016)
C27H25N5O2

>  <MolWeight> (1,016)
451.5197

>  <Cat> (1,016)
S8755

>  <Name> (1,016)
AZ304

>  <Synonyms> (1,016)
N/A

>  <Target> (1,016)
Raf

>  <Form> (1,016)
free base

>  <CAS> (1,016)
942507-42-8

>  <URL> (1,016)
http://www.selleck.cn/products/az304.html

$$$$

csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,017)
1017

>  <Formula> (1,017)
C14H21N5O2S

>  <MolWeight> (1,017)
323.41384

>  <Cat> (1,017)
S8765

>  <Name> (1,017)
PF-04965842

>  <Synonyms> (1,017)
N/A

>  <Target> (1,017)
JAK

>  <Form> (1,017)
free base

>  <CAS> (1,017)
1622902-68-4

>  <URL> (1,017)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/01132110042D

 35 38  0  0  0  0  0  0  0  0999 V2000
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 32 33  1  0  0  0  0
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 41 46  2  0  0  0  0
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 49 54  2  0  0  0  0
 50 55  1  0  0  0  0
 51 55  1  0  0  0  0
 52 56  2  0  0  0  0
 53 56  1  0  0  0  0
 54 57  1  0  0  0  0
 55 58  2  0  0  0  0
 57 59  1  0  0  0  0
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 64 68  1  0  0  0  0
M  END
>  <Mol_ID> (1,022)
1022

>  <Formula> (1,022)
C52H54N4O12

>  <MolWeight> (1,022)
927.00476

>  <Cat> (1,022)
S6201

>  <Name> (1,022)
Malachite green

>  <Synonyms> (1,022)
Aniline green, Basic green 4, Diamond green B, Victoria green B

>  <Target> (1,022)
Others

>  <Form> (1,022)
free base

>  <CAS> (1,022)
2437-29-8

>  <URL> (1,022)
http://www.selleck.cn/products/malachite-green.html

$$$$

csChFnd80/01132110042D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    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
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    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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  2 22  1  0  0  0  0
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M  END
>  <Mol_ID> (1,023)
1023

>  <Formula> (1,023)
C21H19ClNO4+

>  <MolWeight> (1,023)
384.83286

>  <Cat> (1,023)
S1292

>  <Name> (1,023)
Chelerythrine Chloride

>  <Synonyms> (1,023)
N/A

>  <Target> (1,023)
PKC

>  <Form> (1,023)
Chloride

>  <CAS> (1,023)
3895-92-9

>  <URL> (1,023)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/01132110042D

 38 41  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
  1  8  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
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 33 34  1  0  0  0  0
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 35 36  1  0  0  0  0
 29 35  1  0  0  0  0
 32 37  1  0  0  0  0
 28 38  1  0  0  0  0
  4 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,024)
1024

>  <Formula> (1,024)
C26H31Cl2N7O3

>  <MolWeight> (1,024)
560.47544

>  <Cat> (1,024)
S2183

>  <Name> (1,024)
BGJ398 (NVP-BGJ398|Infigratinib)

>  <Synonyms> (1,024)
N/A

>  <Target> (1,024)
FGFR

>  <Form> (1,024)
Free Base

>  <CAS> (1,024)
872511-34-7

>  <URL> (1,024)
http://www.selleck.cn/products/bgj398-nvp-bgj398.html

$$$$

csChFnd80/01132110042D

 28 32  0  0  0  0  0  0  0  0999 V2000
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S2382

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NF-¦ÊB

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518-17-2

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Epigenetic Reader Do

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Free Base

>  <CAS> (1,030)
1300031-49-5

>  <URL> (1,030)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

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>  <Formula> (1,031)
C7H9ClN2

>  <MolWeight> (1,031)
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S4956

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Benzamidine HCl

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N/A

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Serine/threonin kina

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HCl

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1670-14-0

>  <URL> (1,031)
http://www.selleck.cn/products/benzamidine-hcl.html

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csChFnd80/01132110042D

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1032

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C23H26N6O2

>  <MolWeight> (1,032)
418.49154

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S6414

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>  <Synonyms> (1,032)
STA-5326

>  <Target> (1,032)
PI3K

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>  <CAS> (1,032)
541550-19-0

>  <URL> (1,032)
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>  <Target> (1,033)
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>  <CAS> (1,033)
947303-87-9

>  <URL> (1,033)
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193620-69-8

>  <URL> (1,034)
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418.30048

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Chromium picolinate

>  <Synonyms> (1,035)
N/A

>  <Target> (1,035)
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Free Base

>  <CAS> (1,035)
14639-25-9

>  <URL> (1,035)
http://www.selleck.cn/products/chromium-picolinate.html

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N/A

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JAK

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Free Base

>  <CAS> (1,036)
1206101-20-3

>  <URL> (1,036)
http://www.selleck.cn/products/glpg0634.html

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>  <Formula> (1,037)
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ALK

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>  <CAS> (1,037)
1197953-54-0

>  <URL> (1,037)
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 17 21  1  0  0  0  0
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 23 25  1  0  0  0  0
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M  END
>  <Mol_ID> (1,038)
1038

>  <Formula> (1,038)
C19H18N4O3

>  <MolWeight> (1,038)
350.37122

>  <Cat> (1,038)
S8684

>  <Name> (1,038)
Selective JAK3 inhibitor 1

>  <Synonyms> (1,038)
N/A

>  <Target> (1,038)
JAK

>  <Form> (1,038)
Free Base

>  <CAS> (1,038)
1443235-95-7

>  <URL> (1,038)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/01132110042D

 32 36  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
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  5  9  1  0  0  0  0
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 14  9  1  0  0  0  0
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  7 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  7  2  0  0  0  0
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 23 24  1  0  0  0  0
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 25 23  1  0  0  0  0
 23 26  1  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (1,039)
1039

>  <Formula> (1,039)
C23H20FN7O

>  <MolWeight> (1,039)
429.4496032

>  <Cat> (1,039)
S8693

>  <Name> (1,039)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (1,039)
N/A

>  <Target> (1,039)
PI3K

>  <Form> (1,039)
Free Base

>  <CAS> (1,039)
2088525-31-7

>  <URL> (1,039)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/01132110042D

 50 56  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,040)
1040

>  <Formula> (1,040)
C37H41N9O3S

>  <MolWeight> (1,040)
691.84494

>  <Cat> (1,040)
S8701

>  <Name> (1,040)
MK-8353 (SCH900353)

>  <Synonyms> (1,040)
N/A

>  <Target> (1,040)
ERK

>  <Form> (1,040)
Free Base

>  <CAS> (1,040)
1184173-73-6

>  <URL> (1,040)
http://www.selleck.cn/products/mk-8353-sch900353.html

$$$$

csChFnd80/01132110042D

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>  <Synonyms> (1,041)
N/A

>  <Target> (1,041)
Epigenetic Reader Do

>  <Form> (1,041)
Free Base

>  <CAS> (1,041)
1628607-64-6

>  <URL> (1,041)
http://www.selleck.cn/products/incb054329.html

$$$$

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>  <Mol_ID> (1,042)
1042

>  <Formula> (1,042)
C32H31N3O5S

>  <MolWeight> (1,042)
569.67064

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S8788

>  <Name> (1,042)
CH7057288

>  <Synonyms> (1,042)
N/A

>  <Target> (1,042)
Trk receptor

>  <Form> (1,042)
Free Base

>  <CAS> (1,042)
2095616-82-1

>  <URL> (1,042)
http://www.selleck.cn/products/ch7057288.html

$$$$

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>  <Mol_ID> (1,043)
1043

>  <Formula> (1,043)
C27H29N5O3

>  <MolWeight> (1,043)
471.55086

>  <Cat> (1,043)
S8791

>  <Name> (1,043)
Zanubrutinib (BGB-3111)

>  <Synonyms> (1,043)
N/A

>  <Target> (1,043)
BTK

>  <Form> (1,043)
Free Base

>  <CAS> (1,043)
1691249-45-2

>  <URL> (1,043)
http://www.selleck.cn/products/zanubrutini-bgb-3111.html

$$$$

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>  <Mol_ID> (1,044)
1044

>  <Formula> (1,044)
C22H16F4N4OS

>  <MolWeight> (1,044)
460.4472528

>  <Cat> (1,044)
S8793

>  <Name> (1,044)
ULK-101

>  <Synonyms> (1,044)
N/A

>  <Target> (1,044)
Autophagy

>  <Form> (1,044)
Free Base

>  <CAS> (1,044)
no cas

>  <URL> (1,044)
http://www.selleck.cn/products/ulk-101.html

$$$$

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   10.2669    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6875    4.1903    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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 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (1,045)
1045

>  <Formula> (1,045)
C14H14ClFN8

>  <MolWeight> (1,045)
348.7659632

>  <Cat> (1,045)
S2162

>  <Name> (1,045)
AZD1480

>  <Synonyms> (1,045)
N/A

>  <Target> (1,045)
JAK

>  <Form> (1,045)
free base

>  <CAS> (1,045)
935666-88-9

>  <URL> (1,045)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/01132110042D

 37 41  0  0  0  0  0  0  0  0999 V2000
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   21.8275    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8489    4.0461    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
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  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 13 14  1  0  0  0  0
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 35 36  1  0  0  0  0
 36 34  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
>  <Mol_ID> (1,046)
1046

>  <Formula> (1,046)
C26H21F3N4O4

>  <MolWeight> (1,046)
510.4645496

>  <Cat> (1,046)
S6412

>  <Name> (1,046)
Altiratinib

>  <Synonyms> (1,046)
DCC-2701

>  <Target> (1,046)
Trk receptor

>  <Form> (1,046)
free base

>  <CAS> (1,046)
1345847-93-9

>  <URL> (1,046)
http://www.selleck.cn/products/altiratinib.html

$$$$

csChFnd80/01132110042D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4268    3.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  7  1  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,047)
1047

>  <Formula> (1,047)
C12H12O2

>  <MolWeight> (1,047)
188.22248

>  <Cat> (1,047)
S6493

>  <Name> (1,047)
n-Butylidenephthalide

>  <Synonyms> (1,047)
N/A

>  <Target> (1,047)
Others

>  <Form> (1,047)
free base

>  <CAS> (1,047)
551-08-6

>  <URL> (1,047)
http://www.selleck.cn/products/n-butylidenephthalide.html

$$$$

csChFnd80/01132110042D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,048)
1048

>  <Formula> (1,048)
C9H5ClN4

>  <MolWeight> (1,048)
204.6158

>  <Cat> (1,048)
S6494

>  <Name> (1,048)
CCCP

>  <Synonyms> (1,048)
Carbonyl cyanide m-chlorophenyl hydrazone

>  <Target> (1,048)
Others

>  <Form> (1,048)
free base

>  <CAS> (1,048)
555-60-2

>  <URL> (1,048)
http://www.selleck.cn/products/cccp.html

$$$$

csChFnd80/01132110042D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
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 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,049)
1049

>  <Formula> (1,049)
C8H7BrO3

>  <MolWeight> (1,049)
231.04338

>  <Cat> (1,049)
S6495

>  <Name> (1,049)
6-Bromo-2-hydroxy-3-methoxybenzaldehyde

>  <Synonyms> (1,049)
N/A

>  <Target> (1,049)
Others

>  <Form> (1,049)
free base

>  <CAS> (1,049)
20035-41-0

>  <URL> (1,049)
http://www.selleck.cn/products/6-bromo-2-hydroxy-3-methoxybenzaldehyde.html

$$$$

csChFnd80/01132110042D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,050)
1050

>  <Formula> (1,050)
C24H38N2O4

>  <MolWeight> (1,050)
418.56952

>  <Cat> (1,050)
S6496

>  <Name> (1,050)
Genz-123346 free base

>  <Synonyms> (1,050)
N/A

>  <Target> (1,050)
Others

>  <Form> (1,050)
free base

>  <CAS> (1,050)
491833-30-8

>  <URL> (1,050)
http://www.selleck.cn/products/genz-123346-free-base.html

$$$$

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924473-59-6

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M  END
>  <Mol_ID> (1,056)
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>  <Formula> (1,056)
C20H20ClN5O2

>  <MolWeight> (1,056)
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S6502

>  <Name> (1,056)
SD 0006

>  <Synonyms> (1,056)
N/A

>  <Target> (1,056)
p38 MAPK

>  <Form> (1,056)
free base

>  <CAS> (1,056)
271576-80-8

>  <URL> (1,056)
http://www.selleck.cn/products/sd-0006.html

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csChFnd80/01132110042D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,057)
1057

>  <Formula> (1,057)
C22H19ClN2O6S

>  <MolWeight> (1,057)
474.91406

>  <Cat> (1,057)
S6503

>  <Name> (1,057)
LX2343

>  <Synonyms> (1,057)
N/A

>  <Target> (1,057)
BACE

>  <Form> (1,057)
free base

>  <CAS> (1,057)
333745-53-2

>  <URL> (1,057)
http://www.selleck.cn/products/lx2343.html

$$$$

csChFnd80/01132110042D

 37 40  0  0  0  0  0  0  0  0999 V2000
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1058

>  <Formula> (1,058)
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>  <MolWeight> (1,058)
547.4088032

>  <Cat> (1,058)
S6505

>  <Name> (1,058)
X-376

>  <Synonyms> (1,058)
N/A

>  <Target> (1,058)
ALK

>  <Form> (1,058)
free base

>  <CAS> (1,058)
1365267-27-1

>  <URL> (1,058)
http://www.selleck.cn/products/x-376.html

$$$$

csChFnd80/01132110042D

 21 24  0  0  0  0  0  0  0  0999 V2000
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1059

>  <Formula> (1,059)
C16H15N3O2

>  <MolWeight> (1,059)
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>  <Cat> (1,059)
S6506

>  <Name> (1,059)
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>  <Synonyms> (1,059)
N/A

>  <Target> (1,059)
DNA-PK

>  <Form> (1,059)
free base

>  <CAS> (1,059)
168425-64-7

>  <URL> (1,059)
http://www.selleck.cn/products/compound-401.html

$$$$

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M  END
>  <Mol_ID> (1,060)
1060

>  <Formula> (1,060)
C24H28ClN2O7PS

>  <MolWeight> (1,060)
554.980081

>  <Cat> (1,060)
S6507

>  <Name> (1,060)
KN-92 phosphate

>  <Synonyms> (1,060)
N/A

>  <Target> (1,060)
Others

>  <Form> (1,060)
phosphate

>  <CAS> (1,060)
1135280-28-2

>  <URL> (1,060)
http://www.selleck.cn/products/kn-92-phosphate.html

$$$$

csChFnd80/01132110042D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (1,061)
1061

>  <Formula> (1,061)
C24H26N4O3S

>  <MolWeight> (1,061)
450.55324

>  <Cat> (1,061)
S6508

>  <Name> (1,061)
Mitapivat

>  <Synonyms> (1,061)
AG-348

>  <Target> (1,061)
PKM

>  <Form> (1,061)
free base

>  <CAS> (1,061)
1260075-17-9

>  <URL> (1,061)
http://www.selleck.cn/products/mitapivat.html

$$$$

csChFnd80/01132110042D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,062)
1062

>  <Formula> (1,062)
C16H12N2O3

>  <MolWeight> (1,062)
280.27808

>  <Cat> (1,062)
S6509

>  <Name> (1,062)
AG 494

>  <Synonyms> (1,062)
N/A

>  <Target> (1,062)
EGFR

>  <Form> (1,062)
free base

>  <CAS> (1,062)
133550-35-3

>  <URL> (1,062)
http://www.selleck.cn/products/ag-494.html

$$$$

csChFnd80/01132110042D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,063)
1063

>  <Formula> (1,063)
C14H19Cl2N3O2S

>  <MolWeight> (1,063)
364.29056

>  <Cat> (1,063)
S6510

>  <Name> (1,063)
Iso-H7 dihydrochloride

>  <Synonyms> (1,063)
N/A

>  <Target> (1,063)
Phosphorylase

>  <Form> (1,063)
dihydrochloride

>  <CAS> (1,063)
140663-38-3

>  <URL> (1,063)
http://www.selleck.cn/products/iso-h7-dihydrochloride.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,064)
1064

>  <Formula> (1,064)
C13H19NO2

>  <MolWeight> (1,064)
221.29546

>  <Cat> (1,064)
S6511

>  <Name> (1,064)
RIPA-56

>  <Synonyms> (1,064)
N/A

>  <Target> (1,064)
TNF-alpha

>  <Form> (1,064)
free base

>  <CAS> (1,064)
1956370-21-0

>  <URL> (1,064)
http://www.selleck.cn/products/ripa-56.html

$$$$

csChFnd80/01132110042D

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ALK

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free base

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1356962-34-9

>  <URL> (1,066)
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ADT-OH

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106392-48-7

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413599-62-9

>  <URL> (1,085)
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1227948-02-8

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csChFnd80/01132110042D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,088)
1088

>  <Formula> (1,088)
C22H20N2O3

>  <MolWeight> (1,088)
360.4058

>  <Cat> (1,088)
S6554

>  <Name> (1,088)
ML365

>  <Synonyms> (1,088)
N/A

>  <Target> (1,088)
Potassium Channel

>  <Form> (1,088)
free base

>  <CAS> (1,088)
947914-18-3

>  <URL> (1,088)
http://www.selleck.cn/products/ml365.html

$$$$

csChFnd80/01132110042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 26 27  1  0  0  0  0
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
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 10  5  2  0  0  0  0
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 14 28  2  0  0  0  0
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M  END
>  <Mol_ID> (1,089)
1089

>  <Formula> (1,089)
C22H19N3O3

>  <MolWeight> (1,089)
373.40456

>  <Cat> (1,089)
S6567

>  <Name> (1,089)
Src Inhibitor 1

>  <Synonyms> (1,089)
N/A

>  <Target> (1,089)
Src

>  <Form> (1,089)
free base

>  <CAS> (1,089)
179248-59-0

>  <URL> (1,089)
http://www.selleck.cn/products/src-inhibitor-1.html

$$$$

csChFnd80/01132110042D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 14 17  1  0  0  0  0
  6  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,090)
1090

>  <Formula> (1,090)
C19H20N4O3

>  <MolWeight> (1,090)
352.3871

>  <Cat> (1,090)
S6571

>  <Name> (1,090)
BQR695

>  <Synonyms> (1,090)
NVP-BQR695

>  <Target> (1,090)
PI4K

>  <Form> (1,090)
free base

>  <CAS> (1,090)
1513879-21-4

>  <URL> (1,090)
http://www.selleck.cn/products/bqr695.html

$$$$

csChFnd80/01132110042D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,091)
1091

>  <Formula> (1,091)
C22H18ClN5O2

>  <MolWeight> (1,091)
419.86362

>  <Cat> (1,091)
S6574

>  <Name> (1,091)
KDU691

>  <Synonyms> (1,091)
N/A

>  <Target> (1,091)
PI4K

>  <Form> (1,091)
free base

>  <CAS> (1,091)
1513879-19-0

>  <URL> (1,091)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/01132110042D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,092)
1092

>  <Formula> (1,092)
C20H25F3N6O3

>  <MolWeight> (1,092)
454.4461096

>  <Cat> (1,092)
S6577

>  <Name> (1,092)
PKC-theta inhibitor

>  <Synonyms> (1,092)
N/A

>  <Target> (1,092)
PKC

>  <Form> (1,092)
free base

>  <CAS> (1,092)
736048-65-0

>  <URL> (1,092)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,093)
1093

>  <Formula> (1,093)
C16H16F3N5

>  <MolWeight> (1,093)
335.3269496

>  <Cat> (1,093)
S6578

>  <Name> (1,093)
Longdaysin

>  <Synonyms> (1,093)
N/A

>  <Target> (1,093)
Casein Kinase

>  <Form> (1,093)
free base

>  <CAS> (1,093)
1353867-91-0

>  <URL> (1,093)
http://www.selleck.cn/products/longdaysin.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,094)
1094

>  <Formula> (1,094)
C21H17N9O2S

>  <MolWeight> (1,094)
459.48378

>  <Cat> (1,094)
S8676

>  <Name> (1,094)
Glumetinib

>  <Synonyms> (1,094)
N/A

>  <Target> (1,094)
c-Met

>  <Form> (1,094)
free base

>  <CAS> (1,094)
1642581-63-2

>  <URL> (1,094)
http://www.selleck.cn/products/glumetinib.html

$$$$

csChFnd80/01132110042D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,095)
1095

>  <Formula> (1,095)
C25H28N4O2S

>  <MolWeight> (1,095)
448.58042

>  <Cat> (1,095)
S8826

>  <Name> (1,095)
BAY-293

>  <Synonyms> (1,095)
N/A

>  <Target> (1,095)
Rho

>  <Form> (1,095)
free base

>  <CAS> (1,095)
2244904-70-7

>  <URL> (1,095)
http://www.selleck.cn/products/bay-293.html

$$$$

csChFnd80/01132110042D

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943540-74-7

>  <URL> (1,096)
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>  <Synonyms> (1,097)
N/A

>  <Target> (1,097)
Serine/threonin kina

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free base

>  <CAS> (1,097)
2328073-61-4

>  <URL> (1,097)
http://www.selleck.cn/products/zt-12-037-01.html

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>  <Synonyms> (1,098)
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>  <Target> (1,098)
JNK

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free base

>  <CAS> (1,098)
848344-36-5

>  <URL> (1,098)
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>  <MolWeight> (1,099)
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>  <Synonyms> (1,099)
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>  <Target> (1,099)
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>  <CAS> (1,099)
2361659-62-1

>  <URL> (1,099)
http://www.selleck.cn/products/gsk8612.html

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CDK

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free base

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1628256-23-4

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http://www.selleck.cn/products/g1t38.html

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S2934

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N/A

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ALK

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2137030-98-7

>  <URL> (1,101)
http://www.selleck.cn/products/ensartinib-dihydrochloride.html

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csChFnd80/01132110042D

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>  <Formula> (1,102)
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N/A

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VEGFR

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Free Base

>  <CAS> (1,102)
1125780-41-7

>  <URL> (1,102)
http://www.selleck.cn/products/sklb610.html

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>  <Formula> (1,103)
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>  <MolWeight> (1,103)
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Free Base

>  <CAS> (1,103)
229476-53-3

>  <URL> (1,103)
http://www.selleck.cn/products/ebe-a22.html

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1191911-27-9

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1453208-66-6

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108237-91-8

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1702809-17-3

>  <URL> (1,110)
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ERK

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118409-62-4

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TLR

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509093-47-4

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>  <Formula> (1,113)
C22H21BrCl2N6O

>  <MolWeight> (1,113)
536.25174

>  <Cat> (1,113)
S6619

>  <Name> (1,113)
ABT 702 dihydrochloride

>  <Synonyms> (1,113)
N/A

>  <Target> (1,113)
Adenosine Receptor

>  <Form> (1,113)
Dihydrochloride

>  <CAS> (1,113)
1188890-28-9

>  <URL> (1,113)
http://www.selleck.cn/products/abt-702-dihydrochloride.html

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csChFnd80/01132110042D

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>  <Mol_ID> (1,114)
1114

>  <Formula> (1,114)
C17H16N8

>  <MolWeight> (1,114)
332.36254

>  <Cat> (1,114)
S6623

>  <Name> (1,114)
APY29

>  <Synonyms> (1,114)
N/A

>  <Target> (1,114)
IRE1

>  <Form> (1,114)
Free Base

>  <CAS> (1,114)
1216665-49-4

>  <URL> (1,114)
http://www.selleck.cn/products/apy29.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,115)
1115

>  <Formula> (1,115)
C18H13ClF2N6O

>  <MolWeight> (1,115)
402.7852264

>  <Cat> (1,115)
S6636

>  <Name> (1,115)
Azaindole 1 (TC-S 7001)

>  <Synonyms> (1,115)
N/A

>  <Target> (1,115)
ROCK

>  <Form> (1,115)
Free Base

>  <CAS> (1,115)
867017-68-3

>  <URL> (1,115)
http://www.selleck.cn/products/azaindole-1.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,116)
1116

>  <Formula> (1,116)
C18H17BrN2O3

>  <MolWeight> (1,116)
389.24318

>  <Cat> (1,116)
S6710

>  <Name> (1,116)
SGC-GAK-1

>  <Synonyms> (1,116)
N/A

>  <Target> (1,116)
CDK

>  <Form> (1,116)
Free Base

>  <CAS> (1,116)
2226517-76-4

>  <URL> (1,116)
http://www.selleck.cn/products/sgc-gak-1.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,117)
1117

>  <Formula> (1,117)
C15H9N3O

>  <MolWeight> (1,117)
247.25146

>  <Cat> (1,117)
S6711

>  <Name> (1,117)
IQ-1S

>  <Synonyms> (1,117)
N/A

>  <Target> (1,117)
JNK

>  <Form> (1,117)
Free Base

>  <CAS> (1,117)
23146-22-7

>  <URL> (1,117)
http://www.selleck.cn/products/iq-1s.html

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N/A

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JNK

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1438391-30-0

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http://www.selleck.cn/products/cc-401-hydrochloride.html

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1124

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N/A

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Casein Kinase

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>  <CAS> (1,124)
950912-80-8

>  <URL> (1,124)
http://www.selleck.cn/products/pf-670462.html

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JNK

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Free Base

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929007-72-7

>  <URL> (1,125)
http://www.selleck.cn/products/db07268.html

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Free Base

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38136-70-8

>  <URL> (1,126)
http://www.selleck.cn/products/brevianamide-f.html

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429653-73-6

>  <URL> (1,127)
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EGFR

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Free Base

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1661854-97-2

>  <URL> (1,129)
http://www.selleck.cn/products/tas6417.html

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N/A

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Akt

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Free Base

>  <CAS> (1,130)
1800070-77-2

>  <URL> (1,130)
http://www.selleck.cn/products/borussertib.html

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FGFR

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>  <CAS> (1,132)
1448169-71-8

>  <URL> (1,132)
http://www.selleck.cn/products/tas-120.html

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1642288-47-8

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    6.0500    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8375    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4707    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4707    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3084    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    4.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  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  2  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  2  0  0  0  0
 12 13  1  0  0  0  0
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 15 10  2  0  0  0  0
 11 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 16  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,139)
1139

>  <Formula> (1,139)
C21H25N3O4

>  <MolWeight> (1,139)
383.4409

>  <Cat> (1,139)
S2184

>  <Name> (1,139)
WDR5-0103

>  <Synonyms> (1,139)
WD-Repeat Protein 5-0103

>  <Target> (1,139)
Histone Methyltransferase

>  <Form> (1,139)
Free Base

>  <CAS> (1,139)
890190-22-4

>  <URL> (1,139)
http://www.selleck.cn/products/wdr5-0103.html

$$$$

csChFnd80/01132110042D

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0624    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5497    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9745    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1871    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3996    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6119    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8245    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  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  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 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  6  0  0  0
  2 21  1  1  0  0  0
M  END
>  <Mol_ID> (1,140)
1140

>  <Formula> (1,140)
C18H37NO2

>  <MolWeight> (1,140)
299.49188

>  <Cat> (1,140)
S2210

>  <Name> (1,140)
Sphingosine

>  <Synonyms> (1,140)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (1,140)
Others

>  <Form> (1,140)
Free Base

>  <CAS> (1,140)
123-78-4

>  <URL> (1,140)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/01132110042D

 28 32  0  0  0  0  0  0  0  0999 V2000
    6.9865    7.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1993    7.2424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1993    5.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9830    5.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7752    5.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2328    4.9017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2677    3.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6722    3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5673    5.1385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250    5.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8743    5.5013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7819    2.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7802    0.0000    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
  1  6  1  0  0  0  0
  8  9  2  0  0  0  0
  7  9  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 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
 12 16  1  0  0  0  0
 13 11  1  6  0  0  0
 10 11  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
  9 17  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 23 28  2  0  0  0  0
  8 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,141)
1141

>  <Formula> (1,141)
C23H21N3O2

>  <MolWeight> (1,141)
371.43174

>  <Cat> (1,141)
S2212

>  <Name> (1,141)
AIM-100

>  <Synonyms> (1,141)
N/A

>  <Target> (1,141)
ACK

>  <Form> (1,141)
Free Base

>  <CAS> (1,141)
873305-35-2

>  <URL> (1,141)
http://www.selleck.cn/products/aim-100.html

$$$$

csChFnd80/01132110042D

 37 41  0  0  0  0  0  0  0  0999 V2000
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   13.5128   11.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5994    1.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041    5.5464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4479   10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9475   12.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8178   10.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3174   12.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2526   11.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1430   10.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7082    9.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 29  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  2  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 24  1  0  0  0  0
 22 27  1  0  0  0  0
 24 26  2  0  0  0  0
 25 28  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 30 34  1  0  0  0  0
 31 35  2  0  0  0  0
 32 37  1  0  0  0  0
 34 36  2  0  0  0  0
 35 36  1  0  0  0  0
 19 23  1  0  0  0  0
 22  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,142)
1142

>  <Formula> (1,142)
C31H34N4O2

>  <MolWeight> (1,142)
494.62726

>  <Cat> (1,142)
S2234

>  <Name> (1,142)
BIBF-0775

>  <Synonyms> (1,142)
N/A

>  <Target> (1,142)
TGF-beta/Smad

>  <Form> (1,142)
Free Base

>  <CAS> (1,142)
334951-90-5

>  <URL> (1,142)
http://www.selleck.cn/products/bibf-0775.html

$$$$

csChFnd80/01132110042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    2.4249    6.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    5.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2062    3.9664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0052   10.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    9.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1143

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C17H18ClN5O2

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359.81012

>  <Cat> (1,143)
S2249

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PF 4800567

>  <Synonyms> (1,143)
N/A

>  <Target> (1,143)
Casein Kinase

>  <Form> (1,143)
Free Base

>  <CAS> (1,143)
1188296-52-7

>  <URL> (1,143)
http://www.selleck.cn/products/pf-4800567.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,144)
1144

>  <Formula> (1,144)
C18H18N2O3

>  <MolWeight> (1,144)
310.34712

>  <Cat> (1,144)
S6514

>  <Name> (1,144)
SU5408

>  <Synonyms> (1,144)
VEGFR2 Kinase Inhibitor I 

>  <Target> (1,144)
VEGFR

>  <Form> (1,144)
Free Base

>  <CAS> (1,144)
15966-93-5

>  <URL> (1,144)
http://www.selleck.cn/products/su5408.html

$$$$

csChFnd80/01132110042D

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1145

>  <Formula> (1,145)
C25H20N4O2

>  <MolWeight> (1,145)
408.4519

>  <Cat> (1,145)
S6658

>  <Name> (1,145)
ETC-206

>  <Synonyms> (1,145)
ETC-1907206

>  <Target> (1,145)
MNK

>  <Form> (1,145)
Free Base

>  <CAS> (1,145)
1464151-33-4

>  <URL> (1,145)
http://www.selleck.cn/products/etc-206.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,146)
1146

>  <Formula> (1,146)
C26H21Cl3N8

>  <MolWeight> (1,146)
551.85754

>  <Cat> (1,146)
S6660

>  <Name> (1,146)
B-Raf inhibitor 1 dihydrochlorid

>  <Synonyms> (1,146)
N/A

>  <Target> (1,146)
Raf

>  <Form> (1,146)
Dihydrochloride

>  <CAS> (1,146)
1191385-19-9

>  <URL> (1,146)
http://www.selleck.cn/products/b-raf-inhibitor-1-dihydrochlorid.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,151)
1151

>  <Formula> (1,151)
C26H21F2N5O2S

>  <MolWeight> (1,151)
505.5390464

>  <Cat> (1,151)
S8882

>  <Name> (1,151)
ODM-203

>  <Synonyms> (1,151)
N/A

>  <Target> (1,151)
FGFR

>  <Form> (1,151)
Free Base

>  <CAS> (1,151)
1430723-35-5

>  <URL> (1,151)
http://www.selleck.cn/products/odm-203.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,152)
1152

>  <Formula> (1,152)
C21H23N4O7PS2

>  <MolWeight> (1,152)
538.533681

>  <Cat> (1,152)
S8927

>  <Name> (1,152)
GSK2983559 (compound 3)

>  <Synonyms> (1,152)
RIP2 kinase inhibitor 1,RIPK2-IN-1

>  <Target> (1,152)
RIP

>  <Form> (1,152)
Free Base

>  <CAS> (1,152)
1579965-12-0

>  <URL> (1,152)
http://www.selleck.cn/products/gsk2983559-compound-3.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,153)
1153

>  <Formula> (1,153)
C33H40O18

>  <MolWeight> (1,153)
724.6599

>  <Cat> (1,153)
S9096

>  <Name> (1,153)
ligustroflavone

>  <Synonyms> (1,153)
Nuezhenoside

>  <Target> (1,153)
AMPK

>  <Form> (1,153)
Free Base

>  <CAS> (1,153)
260413-62-5

>  <URL> (1,153)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/01132110042D

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>  <MolWeight> (1,154)
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>  <Cat> (1,154)
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>  <Name> (1,154)
Chikusetsusaponin Iva

>  <Synonyms> (1,154)
Calenduloside F

>  <Target> (1,154)
Immunology & Inflammation related

>  <Form> (1,154)
Free Base

>  <CAS> (1,154)
51415-02-2

>  <URL> (1,154)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

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>  <MolWeight> (1,155)
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>  <Cat> (1,155)
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>  <Name> (1,155)
(20S)Ginsenoside Rg2

>  <Synonyms> (1,155)
N/A

>  <Target> (1,155)
Others

>  <Form> (1,155)
Free Base

>  <CAS> (1,155)
52286-74-5

>  <URL> (1,155)
http://www.selleck.cn/products/20s-ginsenoside-rg2.html

$$$$

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>  <Name> (1,156)
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>  <Synonyms> (1,156)
N/A

>  <Target> (1,156)
P-gp

>  <Form> (1,156)
Free Base

>  <CAS> (1,156)
20311-51-7

>  <URL> (1,156)
http://www.selleck.cn/products/solamargine.html

$$$$

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1157

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682.66628

>  <Cat> (1,157)
S9215

>  <Name> (1,157)
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>  <Synonyms> (1,157)
N/A

>  <Target> (1,157)
Others

>  <Form> (1,157)
Free Base

>  <CAS> (1,157)
63902-38-5

>  <URL> (1,157)
http://www.selleck.cn/products/pinoresinol-diglucoside.html

$$$$

csChFnd80/01132110042D

 39 43  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (1,158)
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>  <Synonyms> (1,158)
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>  <Target> (1,158)
Src

>  <Form> (1,158)
Free Base

>  <CAS> (1,158)
882663-88-9

>  <URL> (1,158)
http://www.selleck.cn/products/.html

$$$$

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1159

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>  <MolWeight> (1,159)
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S2272

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>  <Synonyms> (1,159)
N/A

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2387704-62-1

>  <URL> (1,160)
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csChFnd80/01132110042D

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2241300-51-4

>  <URL> (1,161)
http://www.selleckchem.com/products/as2863619.html

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1893397-65-3

>  <URL> (1,162)
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1891087-61-8

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1640294-30-9

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1888305-96-1

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139298-40-1

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1784751-19-4

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 29 24  1  0  0  0  0
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 30 31  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
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 35 36  2  0  0  0  0
 27 37  1  0  0  0  0
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 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <Mol_ID> (1,176)
1176

>  <Formula> (1,176)
C32H39N7O4

>  <MolWeight> (1,176)
585.69656

>  <Cat> (1,176)
S6813

>  <Name> (1,176)
Mobocertinib (TAK788)

>  <Synonyms> (1,176)
AP32788

>  <Target> (1,176)
EGFR

>  <Form> (1,176)
Free Base

>  <CAS> (1,176)
1847461-43-1

>  <URL> (1,176)
http://www.selleckchem.com/products/tak788.html

$$$$

csChFnd80/01132110042D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,177)
1177

>  <Formula> (1,177)
C26H27N3O2

>  <MolWeight> (1,177)
413.51148

>  <Cat> (1,177)
S0118

>  <Name> (1,177)
SBC-1107326

>  <Synonyms> (1,177)
N/A

>  <Target> (1,177)
PCSK9

>  <Form> (1,177)
Free Base

>  <CAS> (1,177)
1629166-02-4

>  <URL> (1,177)
http://www.selleckchem.com/products/sbc-1107326.html

$$$$

csChFnd80/01132110042D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,178)
1178

>  <Formula> (1,178)
C21H18F3N5O

>  <MolWeight> (1,178)
413.3957296

>  <Cat> (1,178)
S0360

>  <Name> (1,178)
EGFR?Inhibitor

>  <Synonyms> (1,178)
N/A

>  <Target> (1,178)
EGFR

>  <Form> (1,178)
Free Base

>  <CAS> (1,178)
879127-07-8

>  <URL> (1,178)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/01132110042D

 36 39  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (1,179)
C26H34N6O3S

>  <MolWeight> (1,179)
510.65156

>  <Cat> (1,179)
S0391

>  <Name> (1,179)
TG-89

>  <Synonyms> (1,179)
N/A

>  <Target> (1,179)
JAK

>  <Form> (1,179)
Free Base

>  <CAS> (1,179)
936091-56-4

>  <URL> (1,179)
http://www.selleckchem.com/products/tg-89.html

$$$$

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>  <Mol_ID> (1,180)
1180

>  <Formula> (1,180)
C24H28N6O3S

>  <MolWeight> (1,180)
480.58252

>  <Cat> (1,180)
S0487

>  <Name> (1,180)
Sulfatinib

>  <Synonyms> (1,180)
HMPL-012, Sufatinib, Surfatinib

>  <Target> (1,180)
CSF-1R

>  <Form> (1,180)
Free Base

>  <CAS> (1,180)
1308672-74-3

>  <URL> (1,180)
http://www.selleckchem.com/products/sulfatinib.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,181)
1181

>  <Formula> (1,181)
C20H25ClN6O3

>  <MolWeight> (1,181)
432.9039

>  <Cat> (1,181)
S0500

>  <Name> (1,181)
Purvalanol B

>  <Synonyms> (1,181)
NG 95

>  <Target> (1,181)
CDK

>  <Form> (1,181)
Free Base

>  <CAS> (1,181)
212844-54-7

>  <URL> (1,181)
http://www.selleckchem.com/products/purvalanol-b-ng-95.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,182)
1182

>  <Formula> (1,182)
C14H10BrNOS

>  <MolWeight> (1,182)
320.2043

>  <Cat> (1,182)
S0523

>  <Name> (1,182)
SB?4

>  <Synonyms> (1,182)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (1,182)
TGF-beta/Smad

>  <Form> (1,182)
Free Base

>  <CAS> (1,182)
100874-08-6

>  <URL> (1,182)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,183)
1183

>  <Formula> (1,183)
C18H11BrN2O2

>  <MolWeight> (1,183)
367.19614

>  <Cat> (1,183)
S1050

>  <Name> (1,183)
TCS PIM-1 1 

>  <Synonyms> (1,183)
SC 204330

>  <Target> (1,183)
Pim

>  <Form> (1,183)
Free Base

>  <CAS> (1,183)
491871-58-0

>  <URL> (1,183)
http://www.selleckchem.com/products/tcs-pim-1-1.html

$$$$

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EGFR

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Free Base

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133550-49-9

>  <URL> (1,184)
http://www.selleckchem.com/products/tyrphostin-ag-528.html

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csChFnd80/01132110042D

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>  <Formula> (1,185)
C24H26N2O3S

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422.53984

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S6836

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TH-257

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N/A

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LIM kinase

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Free Base

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2244678-29-1

>  <URL> (1,185)
http://www.selleckchem.com/products/th-257.html

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1186

>  <Formula> (1,186)
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S6837

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R-10015

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N/A

>  <Target> (1,186)
LIM kinase

>  <Form> (1,186)
Free Base

>  <CAS> (1,186)
2097938-51-5

>  <URL> (1,186)
http://www.selleckchem.com/products/r-10015.html

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CM082

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VEGFR

>  <Form> (1,187)
Free Base

>  <CAS> (1,187)
1013920-15-4

>  <URL> (1,187)
http://www.selleckchem.com/products/vorolanib.html

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CSF-1R

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Free Base

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623142-96-1

>  <URL> (1,188)
http://www.selleckchem.com/products/ki20227.html

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>  <Mol_ID> (1,189)
1189

>  <Formula> (1,189)
C25H19N5S

>  <MolWeight> (1,189)
421.51686

>  <Cat> (1,189)
S7692

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A-83-01

>  <Synonyms> (1,189)
N/A

>  <Target> (1,189)
ALK

>  <Form> (1,189)
Free Base

>  <CAS> (1,189)
909910-43-6

>  <URL> (1,189)
http://www.selleckchem.com/products/a-83-01.html

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csChFnd80/01132110042D

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1190

>  <Formula> (1,190)
C18H20N4O4

>  <MolWeight> (1,190)
356.3758

>  <Cat> (1,190)
S7794

>  <Name> (1,190)
JNK Inhibitor VIII

>  <Synonyms> (1,190)
TCS?JNK?6o

>  <Target> (1,190)
JNK

>  <Form> (1,190)
Free Base

>  <CAS> (1,190)
894804-07-0

>  <URL> (1,190)
http://www.selleckchem.com/products/jnk-inhibitor-viii.html

$$$$

csChFnd80/01132110042D

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1191

>  <Formula> (1,191)
C30H28O8

>  <MolWeight> (1,191)
516.53852

>  <Cat> (1,191)
S7862

>  <Name> (1,191)
Rottlerin

>  <Synonyms> (1,191)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (1,191)
PKC

>  <Form> (1,191)
Free Base

>  <CAS> (1,191)
82-08-6

>  <URL> (1,191)
http://www.selleckchem.com/products/rottlerin.html

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ALK

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free base

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2229036-62-6

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http://www.selleckchem.com/products/ms4078.html

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FGFR

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free base

>  <CAS> (1,200)
1513857-77-6

>  <URL> (1,200)
http://www.selleckchem.com/products/pemigatinib-incb054828.html

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BMS-5

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LIM kinase

>  <Form> (1,201)
free base

>  <CAS> (1,201)
1338247-35-0

>  <URL> (1,201)
http://www.selleckchem.com/products/bms-5.html

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2306178-56-1

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free base

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1055412-47-9

>  <URL> (1,203)
http://www.selleckchem.com/products/su5614.html

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csChFnd80/01132110042D

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>  <Formula> (1,204)
C15H17ClN6O3

>  <MolWeight> (1,204)
364.78688

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S0377

>  <Name> (1,204)
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>  <Target> (1,204)
VEGFR

>  <Form> (1,204)
free base

>  <CAS> (1,204)
951151-97-6

>  <URL> (1,204)
http://www.selleckchem.com/products/jnj-38158471.html

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csChFnd80/01132110042D

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>  <Formula> (1,205)
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>  <MolWeight> (1,205)
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>  <Cat> (1,205)
S0378

>  <Name> (1,205)
MBP146-78

>  <Target> (1,205)
PKG

>  <Form> (1,205)
free base

>  <CAS> (1,205)
188343-77-3

>  <URL> (1,205)
http://www.selleckchem.com/products/mbp146-78.html

$$$$

csChFnd80/01132110042D

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>  <Formula> (1,206)
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>  <MolWeight> (1,206)
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>  <Target> (1,206)
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free base

>  <CAS> (1,206)
1292310-49-6

>  <URL> (1,206)
http://www.selleckchem.com/products/tbk1-ikk-in-1.html

$$$$

csChFnd80/01132110042D

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292168-79-7

>  <URL> (1,207)
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csChFnd80/01132110042D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.1573    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6657   12.0751    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.4506   11.9630    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    4.9449    6.2999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100    9.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2189    8.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 23  1  0  0  0  0
  4 23  2  0  0  0  0
  5 11  1  0  0  0  0
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  6 19  1  0  0  0  0
  7 16  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
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  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 17  2  0  0  0  0
 15 20  2  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,208)
1208

>  <Formula> (1,208)
C19H11ClN3NaO2

>  <MolWeight> (1,208)
371.75231

>  <Cat> (1,208)
S0707

>  <Name> (1,208)
Silmitasertib sodium salt

>  <Target> (1,208)
Casein Kinase

>  <Form> (1,208)
sodium

>  <CAS> (1,208)
1309357-15-0

>  <URL> (1,208)
http://www.selleckchem.com/products/silmitasertib-sodium-salt.html

$$$$

csChFnd80/01132110042D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.7024    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5122    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098    4.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    4.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    3.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0222    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2346    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4471    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2346    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0844    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7217    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.3590    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.7838    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9963    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.9963    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  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
  8 10  1  0  0  0  0
 10  1  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,209)
1209

>  <Formula> (1,209)
C23H40N2O3

>  <MolWeight> (1,209)
392.5753

>  <Cat> (1,209)
S0752

>  <Name> (1,209)
AUDA

>  <Target> (1,209)
Epoxide Hydrolase

>  <Form> (1,209)
free base

>  <CAS> (1,209)
479413-70-2

>  <URL> (1,209)
http://www.selleckchem.com/products/auda.html

$$$$

csChFnd80/01132110042D

 41 42  0  0  0  0  0  0  0  0999 V2000
    5.3638    1.4732    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    9.3089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119   11.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8516    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
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  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
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 10 11  1  0  0  0  0
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 21 22  1  0  0  0  0
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 26 30  2  0  0  0  0
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 28 33  1  0  0  0  0
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 30 34  1  0  0  0  0
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 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> (1,210)
1210

>  <Formula> (1,210)
C25H34N6O8S2

>  <MolWeight> (1,210)
610.70286

>  <Cat> (1,210)
S0785

>  <Name> (1,210)
Apilimod mesylate

>  <Target> (1,210)
Interleukins

>  <Form> (1,210)
mesylate

>  <CAS> (1,210)
870087-36-8

>  <URL> (1,210)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/01132110042D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 11  3  1  1  0  0  0
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 10  5  1  6  0  0  0
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 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,211)
1211

>  <Formula> (1,211)
C11H15ClN4O4

>  <MolWeight> (1,211)
302.7142

>  <Cat> (1,211)
S0787

>  <Name> (1,211)
3-Deazaadenosine hydrochloride

>  <Target> (1,211)
TNF-alpha

>  <Form> (1,211)
hydrochloride

>  <CAS> (1,211)
86583-19-9

>  <URL> (1,211)
http://www.selleckchem.com/products/3-deazaadenosine-hydrochloride.html

$$$$

csChFnd80/01132110042D

 36 38  0  0  0  0  0  0  0  0999 V2000
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C23H15F8N3OS

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S0819

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BL-918

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ULK

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free base

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2101517-69-3

>  <URL> (1,212)
http://www.selleckchem.com/products/bl-918.html

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csChFnd80/01132110042D

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1213

>  <Formula> (1,213)
C30H48O7

>  <MolWeight> (1,213)
520.69792

>  <Cat> (1,213)
S0949

>  <Name> (1,213)
Cucurbitacin IIb

>  <Target> (1,213)
STAT

>  <Form> (1,213)
free base

>  <CAS> (1,213)
50298-90-3

>  <URL> (1,213)
http://www.selleckchem.com/products/curcubitacin-iib.html

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csChFnd80/01132110042D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,214)
1214

>  <Formula> (1,214)
C7H7NO2

>  <MolWeight> (1,214)
137.13598

>  <Cat> (1,214)
S3220

>  <Name> (1,214)
Trigonelline

>  <Target> (1,214)
Phospholipase (e.g. 

>  <Form> (1,214)
free base

>  <CAS> (1,214)
535-83-1

>  <URL> (1,214)
http://www.selleckchem.com/products/trigonelline.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,215)
1215

>  <Formula> (1,215)
C7H14O6

>  <MolWeight> (1,215)
194.18246

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S3223

>  <Name> (1,215)
L-Quebrachitol

>  <Target> (1,215)
TGF-beta/Smad

>  <Form> (1,215)
free base

>  <CAS> (1,215)
642-38-6

>  <URL> (1,215)
http://www.selleckchem.com/products/l-quebrachitol.html

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csChFnd80/01132110042D

 32 37  0  0  0  0  0  0  0  0999 V2000
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1216

>  <Formula> (1,216)
C26H34O6

>  <MolWeight> (1,216)
442.54456

>  <Cat> (1,216)
S3224

>  <Name> (1,216)
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>  <Target> (1,216)
ATM/ATR

>  <Form> (1,216)
free base

>  <CAS> (1,216)
470-37-1

>  <URL> (1,216)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    0.8173    3.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5496    5.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7620    3.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3372    5.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3998    1.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5272    6.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0359    5.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0473    6.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7844    7.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2623    7.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2677    8.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4720    6.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  1  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  1  0  0  0
  5  8  1  0  0  0  0
  5 14  1  1  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,217)
1217

>  <Formula> (1,217)
C20H28O2

>  <MolWeight> (1,217)
300.43512

>  <Cat> (1,217)
S3226

>  <Name> (1,217)
Dehydroabietic acid

>  <Target> (1,217)
Anti-infection

>  <Form> (1,217)
free base

>  <CAS> (1,217)
1740-19-8

>  <URL> (1,217)
http://www.selleckchem.com/products/dehydroabietic-acid.html

$$$$

csChFnd80/01132110042D

 36 39  0  0  0  0  0  0  0  0999 V2000
    9.6332    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.2725    8.6907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7559    7.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1963    9.3384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3695    7.2568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2 27  1  0  0  0  0
  2 33  1  0  0  0  0
  3 28  1  0  0  0  0
  3 34  1  0  0  0  0
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  4 35  1  0  0  0  0
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  5 36  1  0  0  0  0
  6 10  1  0  0  0  0
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  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  1  0  0  0
  9 12  1  0  0  0  0
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 10 11  1  1  0  0  0
 10 16  1  0  0  0  0
 17 13  1  6  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 16 19  1  0  0  0  0
 16 22  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 23  2  0  0  0  0
 20 25  1  0  0  0  0
 20 29  2  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  2  0  0  0  0
 27 28  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (1,218)
1218

>  <Formula> (1,218)
C29H41ClN2O4

>  <MolWeight> (1,218)
517.09984

>  <Cat> (1,218)
S3233

>  <Name> (1,218)
Emetine hydrochloride

>  <Target> (1,218)
HIF

>  <Form> (1,218)
hydrochloride

>  <CAS> (1,218)
14198-59-5

>  <URL> (1,218)
http://www.selleckchem.com/products/emetine-hydrochloride.html

$$$$

csChFnd80/01132110042D

 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
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    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
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  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
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  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
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 12 22  1  1  0  0  0
 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
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 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> (1,219)
1219

>  <Formula> (1,219)
C24H32O4

>  <MolWeight> (1,219)
384.50848

>  <Cat> (1,219)
S3238

>  <Name> (1,219)
Resibufogenin

>  <Target> (1,219)
RIP kinase

>  <Form> (1,219)
free base

>  <CAS> (1,219)
465-39-4

>  <URL> (1,219)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/01132110042D

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.4907    9.9985    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   12.2725    7.8306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7559    6.3968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3695    6.3967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3 28  1  0  0  0  0
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  8 25  1  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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 11 12  1  1  0  0  0
 11 17  1  0  0  0  0
 18 14  1  6  0  0  0
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 16 22  1  0  0  0  0
 17 20  1  0  0  0  0
 17 23  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  2  0  0  0  0
 21 26  1  0  0  0  0
 21 30  2  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 28 29  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <Mol_ID> (1,220)
1220

>  <Formula> (1,220)
C29H42Cl2N2O4

>  <MolWeight> (1,220)
553.56078

>  <Cat> (1,220)
S3239

>  <Name> (1,220)
Emetine Dihydrochloride

>  <Target> (1,220)
HIF

>  <Form> (1,220)
Dihydrochloride

>  <CAS> (1,220)
316-42-7

>  <URL> (1,220)
http://www.selleckchem.com/products/emetine-dihydrochloride.html

$$$$

csChFnd80/01132110042D

 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
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  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
  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
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 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,221)
1221

>  <Formula> (1,221)
C17H18O4

>  <MolWeight> (1,221)
286.32242

>  <Cat> (1,221)
S3241

>  <Name> (1,221)
Loureirin A

>  <Target> (1,221)
Akt

>  <Form> (1,221)
free base

>  <CAS> (1,221)
119425-89-7

>  <URL> (1,221)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/01132110042D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  8 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
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 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,222)
1222

>  <Formula> (1,222)
C18H20O5

>  <MolWeight> (1,222)
316.3484

>  <Cat> (1,222)
S3242

>  <Name> (1,222)
Loureirin B

>  <Target> (1,222)
PAI-1

>  <Form> (1,222)
free base

>  <CAS> (1,222)
119425-90-0

>  <URL> (1,222)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,223)
1223

>  <Formula> (1,223)
C27H30O15

>  <MolWeight> (1,223)
594.5181

>  <Cat> (1,223)
S3267

>  <Name> (1,223)
Kaempferol-3-O-rutinoside

>  <Target> (1,223)
Apoptosis related

>  <Form> (1,223)
free base

>  <CAS> (1,223)
17650-84-9

>  <URL> (1,223)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/01132110042D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,224)
1224

>  <Formula> (1,224)
C30H16O8

>  <MolWeight> (1,224)
504.44324

>  <Cat> (1,224)
S3273

>  <Name> (1,224)
Hypericin

>  <Target> (1,224)
MAO

>  <Form> (1,224)
free base

>  <CAS> (1,224)
548-04-9

>  <URL> (1,224)
http://www.selleckchem.com/products/hypericin.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,225)
1225

>  <Formula> (1,225)
C12H16O4

>  <MolWeight> (1,225)
224.25304

>  <Cat> (1,225)
S3275

>  <Name> (1,225)
Senkyunolide I

>  <Target> (1,225)
ERK

>  <Form> (1,225)
free base

>  <CAS> (1,225)
94596-28-8

>  <URL> (1,225)
http://www.selleckchem.com/products/senkyunolide-i.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,226)
1226

>  <Formula> (1,226)
C27H30O15

>  <MolWeight> (1,226)
594.5181

>  <Cat> (1,226)
S3278

>  <Name> (1,226)
Kaempferol-3-O-neohesperidoside

>  <Target> (1,226)
Carbohydrate Metabol

>  <Form> (1,226)
free base

>  <CAS> (1,226)
32602-81-6

>  <URL> (1,226)
http://www.selleckchem.com/products/kaempferol-3-o-neohesperidoside.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,227)
1227

>  <Formula> (1,227)
C27H34O12

>  <MolWeight> (1,227)
550.55166

>  <Cat> (1,227)
S3284

>  <Name> (1,227)
Tracheloside

>  <Target> (1,227)
phosphatase

>  <Form> (1,227)
free base

>  <CAS> (1,227)
33464-71-0

>  <URL> (1,227)
http://www.selleckchem.com/products/tracheloside.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,228)
1228

>  <Formula> (1,228)
C19H12O7

>  <MolWeight> (1,228)
352.29438

>  <Cat> (1,228)
S3289

>  <Name> (1,228)
Daphnoretin

>  <Target> (1,228)
PKC

>  <Form> (1,228)
free base

>  <CAS> (1,228)
2034-69-7

>  <URL> (1,228)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/01132110042D

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   17.1552    6.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 11 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  1  6  0  0  0
M  END
>  <Mol_ID> (1,229)
1229

>  <Formula> (1,229)
C17H24O2

>  <MolWeight> (1,229)
260.37126

>  <Cat> (1,229)
S3292

>  <Name> (1,229)
Falcarindiol

>  <Target> (1,229)
NOS

>  <Form> (1,229)
free base

>  <CAS> (1,229)
225110-25-8

>  <URL> (1,229)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/01132110042D

 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
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    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
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    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> (1,230)
1230

>  <Formula> (1,230)
C16H17NO3

>  <MolWeight> (1,230)
271.31108

>  <Cat> (1,230)
S3294

>  <Name> (1,230)
Demethyl-Coclaurine

>  <Target> (1,230)
Adrenergic Receptor

>  <Form> (1,230)
free base

>  <CAS> (1,230)
5843-65-2

>  <URL> (1,230)
http://www.selleckchem.com/products/demethyl-coclaurine.html

$$$$

csChFnd80/01132110042D

 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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  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> (1,231)
1231

>  <Formula> (1,231)
C16H12O6

>  <MolWeight> (1,231)
300.26288

>  <Cat> (1,231)
S3296

>  <Name> (1,231)
Hispidulin

>  <Target> (1,231)
Pim

>  <Form> (1,231)
free base

>  <CAS> (1,231)
1447-88-7

>  <URL> (1,231)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/01132110042D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4323    3.2930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4323    1.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6453    1.1969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8242    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409    1.2186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409    2.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    3.3101    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6343    4.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    1.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2193    3.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8645    1.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2193    5.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2155    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9543    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5422    4.5210    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  8  1  0  0  0  0
  1  8  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
  1 12  1  0  0  0  0
  2  9  2  0  0  0  0
  3 13  1  1  0  0  0
  7 13  1  1  0  0  0
 12 14  2  0  0  0  0
  5 15  1  0  0  0  0
  3 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,232)
1232

>  <Formula> (1,232)
C12H16N2O

>  <MolWeight> (1,232)
204.26824

>  <Cat> (1,232)
S3298

>  <Name> (1,232)
Caulophylline (N-Methylcytisine)

>  <Target> (1,232)
AChR

>  <Form> (1,232)
free base

>  <CAS> (1,232)
486-86-2 (63699-79-6, 207-643-8)

>  <URL> (1,232)
http://www.selleckchem.com/products/caulophylline-n-methylcytisine-.html

$$$$

csChFnd80/01132110042D

 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
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    3.6373   10.4951    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
  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> (1,233)
1233

>  <Formula> (1,233)
C19H18NO4+

>  <MolWeight> (1,233)
324.35052

>  <Cat> (1,233)
S3299

>  <Name> (1,233)
Demethyleneberberine

>  <Target> (1,233)
Peroxidases

>  <Form> (1,233)
free base

>  <CAS> (1,233)
25459-91-0

>  <URL> (1,233)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/01132110042D

 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
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    4.8497   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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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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M  END
>  <Mol_ID> (1,234)
1234

>  <Formula> (1,234)
C27H33ClN2O4

>  <MolWeight> (1,234)
485.01492

>  <Cat> (1,234)
S6760

>  <Name> (1,234)
LM22B-10

>  <Target> (1,234)
Trk receptor

>  <Form> (1,234)
free base

>  <CAS> (1,234)
342777-54-2

>  <URL> (1,234)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/01132110042D

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1235

>  <Formula> (1,235)
C20H15F3N8

>  <MolWeight> (1,235)
424.3819096

>  <Cat> (1,235)
S6762

>  <Name> (1,235)
Bozitinib (PLB-1001)

>  <Target> (1,235)
c-Met

>  <Form> (1,235)
free base

>  <CAS> (1,235)
1440964-89-5

>  <URL> (1,235)
http://www.selleckchem.com/products/bozitinib.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,236)
1236

>  <Formula> (1,236)
C27H24N6

>  <MolWeight> (1,236)
432.51966

>  <Cat> (1,236)
S6811

>  <Name> (1,236)
Miransertib (ARQ-092)

>  <Target> (1,236)
Akt

>  <Form> (1,236)
free base

>  <CAS> (1,236)
1313881-70-7

>  <URL> (1,236)
http://www.selleckchem.com/products/miransertib.html

$$$$

csChFnd80/01132110042D

 35 38  0  0  0  0  0  0  0  0999 V2000
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1237

>  <Formula> (1,237)
C24H19F4N5O2

>  <MolWeight> (1,237)
485.4335728

>  <Cat> (1,237)
S6817

>  <Name> (1,237)
VU6015929

>  <Target> (1,237)
DDR

>  <Form> (1,237)
free base

>  <CAS> (1,237)
no

>  <URL> (1,237)
http://www.selleckchem.com/products/vu6015929.html

$$$$

csChFnd80/01132110042D

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1238

>  <Formula> (1,238)
C15H18Cl2N2O2S

>  <MolWeight> (1,238)
361.28662

>  <Cat> (1,238)
S6847

>  <Name> (1,238)
ML-9 HCl

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Akt

>  <Form> (1,238)
hydrochloride

>  <CAS> (1,238)
105637-50-1

>  <URL> (1,238)
http://www.selleckchem.com/products/ml-9-hcl.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,239)
1239

>  <Formula> (1,239)
C28H23Cl5N2O2

>  <MolWeight> (1,239)
596.75942

>  <Cat> (1,239)
S6851

>  <Name> (1,239)
RA-190

>  <Target> (1,239)
Proteasome

>  <Form> (1,239)
free base

>  <CAS> (1,239)
1617495-03-0

>  <URL> (1,239)
http://www.selleckchem.com/products/ra-190.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,240)
1240

>  <Formula> (1,240)
C29H35F3N8O5S

>  <MolWeight> (1,240)
664.6990096

>  <Cat> (1,240)
S6868

>  <Name> (1,240)
Alflutinib (AST2818) mesylate

>  <Target> (1,240)
EGFR

>  <Form> (1,240)
mesylate

>  <CAS> (1,240)
1869057-83-9

>  <URL> (1,240)
http://www.selleckchem.com/products/alflutinib-ast2818-.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,241)
1241

>  <Formula> (1,241)
C31H29FN4O5

>  <MolWeight> (1,241)
556.5841632

>  <Cat> (1,241)
S6870

>  <Name> (1,241)
Ningetinib

>  <Target> (1,241)
c-Met

>  <Form> (1,241)
free base

>  <CAS> (1,241)
1394820-69-9

>  <URL> (1,241)
http://www.selleckchem.com/products/ningetinib.html

$$$$

csChFnd80/01132110042D

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S6871

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Sodium oxamate

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LDH

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Sodium

>  <CAS> (1,242)
565-73-1

>  <URL> (1,242)
http://www.selleckchem.com/products/sodium-oxamate.html

$$$$

csChFnd80/01132110042D

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TOPK

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free base

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487020-03-1

>  <URL> (1,243)
http://www.selleckchem.com/products/hi-topk-032.html

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csChFnd80/01132110042D

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free base

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2095704-43-9

>  <URL> (1,244)
http://www.selleckchem.com/products/sel201.html

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free base

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521310-51-0

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1610358-56-9

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RIP kinase

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1622849-43-7

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2230836-55-0

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GCN2iB

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Serine/threonin kina

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2183470-12-2

>  <URL> (1,253)
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DCLK1-IN-1

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Serine/threonin kina

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free base

>  <CAS> (1,255)
2222635-15-4

>  <URL> (1,255)
http://www.selleckchem.com/products/dclk1-in-1.html

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C27H37ClN6O2

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513.07468

>  <Cat> (1,256)
S8981

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NVP-2

>  <Target> (1,256)
CDK

>  <Form> (1,256)
free base

>  <CAS> (1,256)
1263373-43-8

>  <URL> (1,256)
http://www.selleckchem.com/products/nvp-2.html

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csChFnd80/01132110042D

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>  <Formula> (1,257)
C26H25N3O3

>  <MolWeight> (1,257)
427.495

>  <Cat> (1,257)
S9600

>  <Name> (1,257)
Orelabrutinib

>  <Target> (1,257)
BTK

>  <Form> (1,257)
free base

>  <CAS> (1,257)
1655504-04-3

>  <URL> (1,257)
http://www.selleckchem.com/products/orelabrutinib.html

$$$$

csChFnd80/01132110042D

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>  <Formula> (1,258)
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>  <MolWeight> (1,258)
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GSK-3

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free base

>  <CAS> (1,258)
1034895-42-5

>  <URL> (1,258)
http://www.selleckchem.com/products/9-ing-41.html

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300815-04-7

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57818-44-7

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M  END
>  <Mol_ID> (1,264)
1264

>  <Formula> (1,264)
C25H20FN7O

>  <MolWeight> (1,264)
453.4710032

>  <Cat> (1,264)
S9658

>  <Name> (1,264)
SP-146

>  <Target> (1,264)
Aurora Kinase

>  <Form> (1,264)
free base

>  <CAS> (1,264)
No

>  <URL> (1,264)
http://www.selleckchem.com/products/sp-146.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,265)
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>  <Formula> (1,265)
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>  <MolWeight> (1,265)
507.5317864

>  <Cat> (1,265)
S9660

>  <Name> (1,265)
Remibrutinib (LOU064)

>  <Target> (1,265)
BTK

>  <Form> (1,265)
free base

>  <CAS> (1,265)
1787294-07-8

>  <URL> (1,265)
http://www.selleckchem.com/products/remibrutinib-lou064.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,266)
1266

>  <Formula> (1,266)
C28H40N6O

>  <MolWeight> (1,266)
476.6568

>  <Cat> (1,266)
S9662

>  <Name> (1,266)
UNC2025

>  <Target> (1,266)
FLT3

>  <Form> (1,266)
free base

>  <CAS> (1,266)
1429881-91-3

>  <URL> (1,266)
http://www.selleckchem.com/products/unc2025.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,267)
1267

>  <Formula> (1,267)
C97H144FN33O19S2

>  <MolWeight> (1,267)
2159.5193632

>  <Cat> (1,267)
S9665

>  <Name> (1,267)
Motixafortide (BL-8040)

>  <Target> (1,267)
CXCR

>  <Form> (1,267)
free base

>  <CAS> (1,267)
664334-36-5

>  <URL> (1,267)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,268)
1268

>  <Formula> (1,268)
C21H25N5O2

>  <MolWeight> (1,268)
379.4555

>  <Cat> (1,268)
S9694

>  <Name> (1,268)
MLi-2

>  <Target> (1,268)
Others

>  <Form> (1,268)
free base

>  <CAS> (1,268)
1627091-47-7

>  <URL> (1,268)
http://www.selleckchem.com/products/mli-2.html

$$$$

csChFnd80/01132110042D

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  2 32  1  1  0  0  0
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M  END
>  <Mol_ID> (1,269)
1269

>  <Formula> (1,269)
C28H26N4O3

>  <MolWeight> (1,269)
466.53104

>  <Cat> (1,269)
S1421

>  <Name> (1,269)
Staurosporine

>  <Synonyms> (1,269)
CGP 41251

>  <Target> (1,269)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (1,269)
Free Base

>  <CAS> (1,269)
62996-74-1

>  <URL> (1,269)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,270)
1270

>  <Formula> (1,270)
C45H74O

>  <MolWeight> (1,270)
631.06846

>  <Cat> (1,270)
S2360

>  <Name> (1,270)
Solanesol (Nonaisoprenol)

>  <Synonyms> (1,270)
Nonaisoprenol, Betulanonaprenol

>  <Target> (1,270)
others

>  <Form> (1,270)
Free Base

>  <CAS> (1,270)
13190-97-1

>  <URL> (1,270)
https://www.selleckchem.com/products/solanesol-nonaisoprenol.html

$$$$

csChFnd80/01132110042D

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 10 13  1  0  0  0  0
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M  END
>  <Mol_ID> (1,271)
1271

>  <Formula> (1,271)
C17H15N5

>  <MolWeight> (1,271)
289.3345

>  <Cat> (1,271)
S0540

>  <Name> (1,271)
BAY-474

>  <Synonyms> (1,271)
N/A

>  <Target> (1,271)
c-Met

>  <Form> (1,271)
Free Base

>  <CAS> (1,271)
1033767-86-0

>  <URL> (1,271)
https://www.selleckchem.com/products/bay-474.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,272)
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>  <Formula> (1,272)
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>  <MolWeight> (1,272)
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>  <Cat> (1,272)
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>  <Name> (1,272)
MAZ51

>  <Synonyms> (1,272)
N/A

>  <Target> (1,272)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (1,272)
Free Base

>  <CAS> (1,272)
163655-37-6

>  <URL> (1,272)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,273)
1273

>  <Formula> (1,273)
C42H66O16

>  <MolWeight> (1,273)
826.96384

>  <Cat> (1,273)
S9216

>  <Name> (1,273)
Esculentoside A

>  <Synonyms> (1,273)
N/A

>  <Target> (1,273)
Immunology & Inflammation related

>  <Form> (1,273)
Free Base

>  <CAS> (1,273)
65497-07-6

>  <URL> (1,273)
https://www.selleckchem.com/products/esculentoside-a.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,274)
1274

>  <Formula> (1,274)
C19H20O5

>  <MolWeight> (1,274)
328.3591

>  <Cat> (1,274)
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>  <Name> (1,274)
Decursin

>  <Synonyms> (1,274)
N/A

>  <Target> (1,274)
Immunology & Inflammation related

>  <Form> (1,274)
Free Base

>  <CAS> (1,274)
5928-25-6

>  <URL> (1,274)
https://www.selleckchem.com/products/decursin.html

$$$$

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>  <Formula> (1,275)
C22H26N2O4

>  <MolWeight> (1,275)
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>  <Cat> (1,275)
S9306

>  <Name> (1,275)
Corynoxeine

>  <Synonyms> (1,275)
N/A

>  <Target> (1,275)
ERK

>  <Form> (1,275)
Free Base

>  <CAS> (1,275)
630-94-4

>  <URL> (1,275)
https://www.selleckchem.com/products/corynoxeine.html

$$$$

csChFnd80/01132110042D

 78 87  0  0  0  0  0  0  0  0999 V2000
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   10.9091    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1216    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6968    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9091    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6968    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9091    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4845    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3244    6.4157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3962    4.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1839    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1839    2.7998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6087    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   16.9714    3.4998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   26.5194    6.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5466    2.0998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 77 71  1  0  0  0  0
 72 73  1  1  0  0  0
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 75 76  1  6  0  0  0
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M  END
>  <Mol_ID> (1,276)
1276

>  <Formula> (1,276)
C50H83NO21

>  <MolWeight> (1,276)
1034.18812

>  <Cat> (1,276)
S9444

>  <Name> (1,276)
Tomatine

>  <Synonyms> (1,276)
lycopersicin

>  <Target> (1,276)
Anti-infection

>  <Form> (1,276)
Free Base

>  <CAS> (1,276)
17406-45-0

>  <URL> (1,276)
https://www.selleckchem.com/products/tomatine.html

$$$$

csChFnd80/01132110042D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.2950    0.0026    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,277)
1277

>  <Formula> (1,277)
C21H21Cl2N5OS

>  <MolWeight> (1,277)
462.39534

>  <Cat> (1,277)
S0015

>  <Name> (1,277)
WNK-IN-11

>  <Synonyms> (1,277)
N/A

>  <Target> (1,277)
Serine/threonin kinase

>  <Form> (1,277)
Free Base

>  <CAS> (1,277)
2123489-30-3

>  <URL> (1,277)
https://www.selleckchem.com/products/wnk-in-11.html

$$$$

csChFnd80/01132110042D

 39 44  0  0  0  0  0  0  0  0999 V2000
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SIK

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2172617-15-9

>  <URL> (1,278)
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csChFnd80/01132110042D

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ASK1-IN-1

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ASK

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Free Base

>  <CAS> (1,279)
1262041-49-5

>  <URL> (1,279)
https://www.selleckchem.com/products/gs-444217.html

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csChFnd80/01132110042D

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1280

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C17H13NO2

>  <MolWeight> (1,280)
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S0148

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HAMNO

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ATM/ATR

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138736-73-9

>  <URL> (1,280)
https://www.selleckchem.com/products/nsc111847.html

$$$$

csChFnd80/01132110042D

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EGFR

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189290-58-2

>  <URL> (1,281)
https://www.selleckchem.com/products/ag-1557.html

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csChFnd80/01132110042D

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Ephrin receptor

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861249-59-4

>  <URL> (1,282)
https://www.selleckchem.com/products/ehp-inhibitor.html

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  5  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  8  5  2  0  0  0  0
M  END
>  <Mol_ID> (1,283)
1283

>  <Formula> (1,283)
C17H15NO2

>  <MolWeight> (1,283)
265.3065

>  <Cat> (1,283)
S0290

>  <Name> (1,283)
SU5204

>  <Synonyms> (1,283)
N/A

>  <Target> (1,283)
VEGFR. HER2

>  <Form> (1,283)
Free Base

>  <CAS> (1,283)
186611-11-0

>  <URL> (1,283)
https://www.selleckchem.com/products/su5204.html

$$$$

csChFnd80/01132110042D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,284)
1284

>  <Formula> (1,284)
C13H14N2O3

>  <MolWeight> (1,284)
246.26186

>  <Cat> (1,284)
S0323

>  <Name> (1,284)
Antineoplaston A10

>  <Synonyms> (1,284)
N/A

>  <Target> (1,284)
Ras

>  <Form> (1,284)
Free Base

>  <CAS> (1,284)
91531-30-5

>  <URL> (1,284)
https://www.selleckchem.com/products/antineoplaston-a10.html

$$$$

csChFnd80/01132110042D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
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 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,285)
1285

>  <Formula> (1,285)
C16H11N3O3

>  <MolWeight> (1,285)
293.27684

>  <Cat> (1,285)
S0354

>  <Name> (1,285)
Alsterpaullone

>  <Synonyms> (1,285)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (1,285)
CDK. GSK-3. apoptosis related. Caspase

>  <Form> (1,285)
Free Base

>  <CAS> (1,285)
237430-03-4

>  <URL> (1,285)
https://www.selleckchem.com/products/alsterpaullone.html

$$$$

csChFnd80/01132110042D

 41 45  0  0  0  0  0  0  0  0999 V2000
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   11.0071    7.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,286)
1286

>  <Formula> (1,286)
C31H29FN4O5

>  <MolWeight> (1,286)
556.5841632

>  <Cat> (1,286)
S0361

>  <Name> (1,286)
AMG-1

>  <Synonyms> (1,286)
c-Met/RON Dual Kinase Inhibitor, RON-IN-1

>  <Target> (1,286)
c-Met

>  <Form> (1,286)
Free Base

>  <CAS> (1,286)
913376-84-8

>  <URL> (1,286)
https://www.selleckchem.com/products/amg-1.html

$$$$

csChFnd80/01132110042D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,287)
1287

>  <Formula> (1,287)
C17H14Cl2N6O

>  <MolWeight> (1,287)
389.23866

>  <Cat> (1,287)
S0384

>  <Name> (1,287)
RO495

>  <Synonyms> (1,287)
CS-2667

>  <Target> (1,287)
JAK

>  <Form> (1,287)
Free Base

>  <CAS> (1,287)
1258296-60-4

>  <URL> (1,287)
https://www.selleckchem.com/products/ro495.html

$$$$

csChFnd80/01132110042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,288)
1288

>  <Formula> (1,288)
C17H18N4O3S

>  <MolWeight> (1,288)
358.41482

>  <Cat> (1,288)
S0385

>  <Name> (1,288)
S6K-18

>  <Synonyms> (1,288)
N/A

>  <Target> (1,288)
S6 Kinase

>  <Form> (1,288)
Free Base

>  <CAS> (1,288)
1265789-88-5

>  <URL> (1,288)
https://www.selleckchem.com/products/s6k-18.html

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csChFnd80/01132110042D

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>  <Mol_ID> (1,289)
1289

>  <Formula> (1,289)
C16H10F2N6O

>  <MolWeight> (1,289)
340.2870064

>  <Cat> (1,289)
S0411

>  <Name> (1,289)
BAM 15

>  <Synonyms> (1,289)
N/A

>  <Target> (1,289)
AMPK. apoptosis related

>  <Form> (1,289)
Free Base

>  <CAS> (1,289)
210302-17-3

>  <URL> (1,289)
https://www.selleckchem.com/products/bam-15.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,290)
1290

>  <Formula> (1,290)
C22H19N3O2S

>  <MolWeight> (1,290)
389.47016

>  <Cat> (1,290)
S0431

>  <Name> (1,290)
ML281

>  <Synonyms> (1,290)
N/A

>  <Target> (1,290)
Serine/threonin kinase

>  <Form> (1,290)
Free Base

>  <CAS> (1,290)
1404437-62-2

>  <URL> (1,290)
https://www.selleckchem.com/products/ml281.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,291)
1291

>  <Formula> (1,291)
C15H12Cl2N4O

>  <MolWeight> (1,291)
335.18798

>  <Cat> (1,291)
S0454

>  <Name> (1,291)
Adjudin

>  <Synonyms> (1,291)
AF-2364

>  <Target> (1,291)
Chloride Channel. NF-¦ÊB. ERK

>  <Form> (1,291)
Free Base

>  <CAS> (1,291)
252025-52-8

>  <URL> (1,291)
https://www.selleckchem.com/products/adjudin.html

$$$$

csChFnd80/01132110042D

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>  <Mol_ID> (1,292)
1292

>  <Formula> (1,292)
C16H16N4

>  <MolWeight> (1,292)
264.32504

>  <Cat> (1,292)
S0771

>  <Name> (1,292)
BRD6989

>  <Synonyms> (1,292)
N/A

>  <Target> (1,292)
CDK. Interleukins.

>  <Form> (1,292)
Free Base

>  <CAS> (1,292)
642008-81-9

>  <URL> (1,292)
https://www.selleckchem.com/products/brd6989.html

$$$$

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  3  6  1  0  0  0  0
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  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
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  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,293)
1293

>  <Formula> (1,293)
C22H16N2O2

>  <MolWeight> (1,293)
340.37464

>  <Cat> (1,293)
S0775

>  <Name> (1,293)
IRAK4-IN-4

>  <Synonyms> (1,293)
N/A

>  <Target> (1,293)
IRAK, cGAS

>  <Form> (1,293)
Free Base

>  <CAS> (1,293)
1850276-58-2

>  <URL> (1,293)
https://www.selleckchem.com/products/irak4-in-4.html

$$$$

csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  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
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  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
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  1 12  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,294)
1294

>  <Formula> (1,294)
C16H12ClNO

>  <MolWeight> (1,294)
269.72558

>  <Cat> (1,294)
S0780

>  <Name> (1,294)
Oncrasin-1

>  <Synonyms> (1,294)
N/A

>  <Target> (1,294)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (1,294)
Free Base

>  <CAS> (1,294)
75629-57-1

>  <URL> (1,294)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/01132110042D

 26 30  0  0  0  0  0  0  0  0999 V2000
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  2 26  1  0  0  0  0
  3 22  2  0  0  0  0
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  4 14  1  0  0  0  0
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  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
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 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  2  0  0  0  0
 18 20  1  0  0  0  0
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M  END
>  <Mol_ID> (1,295)
1295

>  <Formula> (1,295)
C20H11N3O3

>  <MolWeight> (1,295)
341.31964

>  <Cat> (1,295)
S0781

>  <Name> (1,295)
IQ 3

>  <Synonyms> (1,295)
N/A

>  <Target> (1,295)
JNK. NF-¦ÊB. TNF-¦Á. IL-6

>  <Form> (1,295)
Free Base

>  <CAS> (1,295)
312538-03-7

>  <URL> (1,295)
https://www.selleckchem.com/products/iq-3.html

$$$$

csChFnd80/01132110042D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,296)
1296

>  <Formula> (1,296)
C16H11Cl2N3O2S

>  <MolWeight> (1,296)
380.24844

>  <Cat> (1,296)
S0795

>  <Name> (1,296)
O-304

>  <Synonyms> (1,296)
O-304X

>  <Target> (1,296)
AMPK

>  <Form> (1,296)
Free Base

>  <CAS> (1,296)
1261289-04-6

>  <URL> (1,296)
https://www.selleckchem.com/products/o-304.html

$$$$

csChFnd80/01132110042D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,297)
1297

>  <Formula> (1,297)
C15H21N3O6

>  <MolWeight> (1,297)
339.34374

>  <Cat> (1,297)
S0827

>  <Name> (1,297)
LM22A-4

>  <Synonyms> (1,297)
LM 22A4

>  <Target> (1,297)
Trk receptor

>  <Form> (1,297)
Free Base

>  <CAS> (1,297)
37988-18-4

>  <URL> (1,297)
https://www.selleckchem.com/products/lm-22a4.html

$$$$

csChFnd80/01132110042D

 24 26  0  0  0  0  0  0  0  0999 V2000
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C18H13F2NO3

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Mitochonic acid 5

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MA-5

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Mitophagy. MAPK. ERK. Yap

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Free Base

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1354707-41-7

>  <URL> (1,298)
https://www.selleckchem.com/products/mitochonic-acid-5.html

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csChFnd80/01132110042D

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C15H9NO3

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251.23686

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S0890

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MLS000532223

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N/A

>  <Target> (1,299)
Rho

>  <Form> (1,299)
Free Base

>  <CAS> (1,299)
16616-39-0

>  <URL> (1,299)
https://www.selleckchem.com/products/mls000532223.html

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csChFnd80/01132110042D

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JX06

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N/A

>  <Target> (1,300)
PDK

>  <Form> (1,300)
Free Base

>  <CAS> (1,300)
729-46-4

>  <URL> (1,300)
https://www.selleckchem.com/products/jx06.html

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csChFnd80/01132110042D

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1301

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C22H31N9O

>  <MolWeight> (1,301)
437.54124

>  <Cat> (1,301)
S1272

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XL228

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N/A

>  <Target> (1,301)
Bcr-Abl. Aurora Kinase. IGF-1R. Src.

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Free Base

>  <CAS> (1,301)
898280-07-4

>  <URL> (1,301)
https://www.selleckchem.com/products/xl228.html

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  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  1  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  6  0  0  0
 11 19  1  0  0  0  0
 19 23  1  6  0  0  0
 15 24  1  1  0  0  0
 24 25  1  0  0  0  0
 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (1,302)
1302

>  <Formula> (1,302)
C29H30O13

>  <MolWeight> (1,302)
586.5407

>  <Cat> (1,302)
S1273

>  <Name> (1,302)
Amarogentin

>  <Synonyms> (1,302)
AG

>  <Target> (1,302)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (1,302)
Free Base

>  <CAS> (1,302)
21018-84-8

>  <URL> (1,302)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/01132110042D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,303)
1303

>  <Formula> (1,303)
C13H8O3

>  <MolWeight> (1,303)
212.20082

>  <Cat> (1,303)
S1321

>  <Name> (1,303)
Urolithin B

>  <Synonyms> (1,303)
N/A

>  <Target> (1,303)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (1,303)
Free Base

>  <CAS> (1,303)
1139-83-9

>  <URL> (1,303)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/01132110042D

 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> (1,304)
1304

>  <Formula> (1,304)
C16H12O3

>  <MolWeight> (1,304)
252.26468

>  <Cat> (1,304)
S1323

>  <Name> (1,304)
7-Methoxyisoflavone

>  <Synonyms> (1,304)
MIF

>  <Target> (1,304)
AMPK

>  <Form> (1,304)
Free Base

>  <CAS> (1,304)
1621-56-3

>  <URL> (1,304)
https://www.selleckchem.com/products/7-methoxyisoflavone.html

$$$$

csChFnd80/01132110042D

 12  9  0  0  0  0  0  0  0  0999 V2000
   10.7932    1.4389    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4389    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.0781    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5031    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2907    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2284    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4408    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8657    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0781    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6533    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2907    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4408    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  3  1  1  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 12  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
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,305)
1305

>  <Formula> (1,305)
C5H6Na2O5

>  <MolWeight> (1,305)
192.07768

>  <Cat> (1,305)
S1325

>  <Name> (1,305)
L-2-Hydroxyglutaric acid disodium

>  <Synonyms> (1,305)
(S)-2-Hydroxyglutaric acid disodium, L-2-Hydroxyglutarate disodium, LG

>  <Target> (1,305)
Histone Demethylase

>  <Form> (1,305)
Disodium

>  <CAS> (1,305)
63512-50-5

>  <URL> (1,305)
https://www.selleckchem.com/products/l-2-hydroxyglutaric-acid-disodium.html

$$$$

csChFnd80/01132110042D

 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> (1,306)
1306

>  <Formula> (1,306)
C30H36Br2N4O2

>  <MolWeight> (1,306)
644.44044

>  <Cat> (1,306)
S2942

>  <Name> (1,306)
EB-3D

>  <Synonyms> (1,306)
N/A

>  <Target> (1,306)
Choline kinase. AMPK. Apoptosis related

>  <Form> (1,306)
Free Base

>  <CAS> (1,306)
1839150-63-8

>  <URL> (1,306)
https://www.selleckchem.com/products/eb-3d.html

$$$$

csChFnd80/01132110042D

 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> (1,307)
1307

>  <Formula> (1,307)
C13H17Cl2N3O2S

>  <MolWeight> (1,307)
350.26398

>  <Cat> (1,307)
S2964

>  <Name> (1,307)
HA-100 dihydrochloride

>  <Synonyms> (1,307)
N/A

>  <Target> (1,307)
PKG, PKA, PKC, MLCK

>  <Form> (1,307)
Dihydrochlori

>  <CAS> (1,307)
210297-47-5

>  <URL> (1,307)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/01132110042D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5069    2.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    6.8231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2020    1.6194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    4.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    3.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7670    2.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792    5.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    6.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5720    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0068    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,308)
1308

>  <Formula> (1,308)
C12H14N2O2

>  <MolWeight> (1,308)
218.25176

>  <Cat> (1,308)
S2985

>  <Name> (1,308)
N-Acetyl-5-hydroxytryptamine

>  <Synonyms> (1,308)
NAS, N-Acetylserotonin, Normelatonin, O-Demethylmelatonin

>  <Target> (1,308)
Trk receptor

>  <Form> (1,308)
Free Base

>  <CAS> (1,308)
1210-83-9

>  <URL> (1,308)
https://www.selleckchem.com/products/n-acetyl-5-hydroxytryptamine.html

$$$$

csChFnd80/01132110042D

  6  5  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,309)
1309

>  <Formula> (1,309)
C3H4O3

>  <MolWeight> (1,309)
88.06206

>  <Cat> (1,309)
S3143

>  <Name> (1,309)
Pyruvic acid

>  <Synonyms> (1,309)
Acetylformic acid

>  <Target> (1,309)
LDH. Casein Kinase. ATPase.

>  <Form> (1,309)
Free Base

>  <CAS> (1,309)
127-17-3

>  <URL> (1,309)
https://www.selleckchem.com/products/pyruvic-acid.html

$$$$

csChFnd80/01132110042D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    9.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410   10.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5534    8.4073    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  2  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 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,310)
1310

>  <Formula> (1,310)
C16H30O2

>  <MolWeight> (1,310)
254.4082

>  <Cat> (1,310)
S3341

>  <Name> (1,310)
Palmitoleic acid

>  <Synonyms> (1,310)
POA, Palmitoleate

>  <Target> (1,310)
AMPK

>  <Form> (1,310)
Free Base

>  <CAS> (1,310)
373-49-9

>  <URL> (1,310)
https://www.selleckchem.com/products/palmitoleic-acid.html

$$$$

csChFnd80/01132110042D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    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
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,311)
1311

>  <Formula> (1,311)
C7H7NO3

>  <MolWeight> (1,311)
153.13538

>  <Cat> (1,311)
S3355

>  <Name> (1,311)
3-Hydroxyanthranilic acid

>  <Synonyms> (1,311)
3-HAA, 3-HANA

>  <Target> (1,311)
PI3K, Akt, mTOR, NF-¦ÊB

>  <Form> (1,311)
Free Base

>  <CAS> (1,311)
548-93-6

>  <URL> (1,311)
https://www.selleckchem.com/products/3-hydroxyanthranilic-acid.html

$$$$

csChFnd80/01132110042D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6340    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    4.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045    2.1152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4082    2.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    4.1964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6294    2.1051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0555    4.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0555    6.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2762    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5005    6.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5005    4.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2786    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    6.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2336    5.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6243    5.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9267    7.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7149    7.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8551    8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125    9.2223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
  7 10  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
 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
 18 22  1  0  0  0  0
 23 24  3  0  0  0  0
 18 23  1  0  0  0  0
 15 18  1  0  0  0  0
  9 12  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,312)
1312

>  <Formula> (1,312)
C24H23N5O

>  <MolWeight> (1,312)
397.47232

>  <Cat> (1,312)
S5248

>  <Name> (1,312)
Apatinib

>  <Synonyms> (1,312)
YN968D1

>  <Target> (1,312)
VEGFR/c-RET

>  <Form> (1,312)
Free Base

>  <CAS> (1,312)
811803-05-1

>  <URL> (1,312)
https://www.selleckchem.com/products/apatinib.html

$$$$

csChFnd80/01132110042D

 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
    6.1668    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0166    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8041    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0166    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2290    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
 10 11  1  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
  5 14  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,313)
1313

>  <Formula> (1,313)
C17H20N6O2S

>  <MolWeight> (1,313)
372.4447

>  <Cat> (1,313)
S6517

>  <Name> (1,313)
GNE-493

>  <Synonyms> (1,313)
N/A

>  <Target> (1,313)
PI3K. mTOR.

>  <Form> (1,313)
Free Base

>  <CAS> (1,313)
1033735-94-2

>  <URL> (1,313)
https://www.selleckchem.com/products/gne-493.html

$$$$

csChFnd80/01132110042D

 35 39  0  0  0  0  0  0  0  0999 V2000
    4.8413   10.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.3878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   10.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,314)
1314

>  <Formula> (1,314)
C26H24IN7O

>  <MolWeight> (1,314)
577.41953

>  <Cat> (1,314)
S6912

>  <Name> (1,314)
Vacuolin-1

>  <Synonyms> (1,314)
N/A

>  <Target> (1,314)
PIKfyve. Autophagy

>  <Form> (1,314)
Free Base

>  <CAS> (1,314)
351986-85-1

>  <URL> (1,314)
https://www.selleckchem.com/products/vacuolin-1.html

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1315

>  <Formula> (1,315)
C21H19F2NO3

>  <MolWeight> (1,315)
371.3772664

>  <Cat> (1,315)
S6920

>  <Name> (1,315)
SEA0400

>  <Synonyms> (1,315)
N/A

>  <Target> (1,315)
Calcium Channel. Sodium Channel. ERK. p38 MA

>  <Form> (1,315)
Free Base

>  <CAS> (1,315)
223104-29-8

>  <URL> (1,315)
https://www.selleckchem.com/products/sea0400.html

$$$$

csChFnd80/01132110042D

  1  0  0  0  0  0  0  0  0  0999 V2000
  244.4750 -169.8500    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
A    1
No Structure
M  END
>  <Mol_ID> (1,316)
1316

>  <Formula> (1,316)
R

>  <Cat> (1,316)
S6955

>  <Name> (1,316)
Insulin (human)

>  <Synonyms> (1,316)
Insulin regular

>  <Target> (1,316)
IGF-1R

>  <Form> (1,316)
Free Base

>  <CAS> (1,316)
11061-68-0

>  <URL> (1,316)
https://www.selleckchem.com/products/insulin.html

$$$$

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>  <Mol_ID> (1,317)
1317

>  <Formula> (1,317)
C40H52N8O10S2

>  <MolWeight> (1,317)
869.01848

>  <Cat> (1,317)
S8979

>  <Name> (1,317)
THAL-SNS-032

>  <Synonyms> (1,317)
N/A

>  <Target> (1,317)
CDK. PROTAC. E3 Ligase

>  <Form> (1,317)
Free Base

>  <CAS> (1,317)
2139287-33-3

>  <URL> (1,317)
https://www.selleckchem.com/products/thal-sns-032.html

$$$$

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N/A

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Src

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Free Base

>  <CAS> (1,318)
unknown

>  <URL> (1,318)
https://www.selleckchem.com/products/dgy-06-116.html

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csChFnd80/01132110042D

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1319

>  <Formula> (1,319)
C29H36F3N3O8S

>  <MolWeight> (1,319)
643.6716496

>  <Cat> (1,319)
S9698

>  <Name> (1,319)
Ezatiostat

>  <Synonyms> (1,319)
TER199, TLK199, Telintra

>  <Target> (1,319)
Transferase. JNK. ERK. Apoptosis related

>  <Form> (1,319)
Free Base

>  <CAS> (1,319)
168682-53-9

>  <URL> (1,319)
https://www.selleckchem.com/products/ezatiostat.html

$$$$

csChFnd80/01132110042D

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1320

>  <Formula> (1,320)
C17H16N4O3

>  <MolWeight> (1,320)
324.33394

>  <Cat> (1,320)
S9701

>  <Name> (1,320)
HS-243

>  <Synonyms> (1,320)
N/A

>  <Target> (1,320)
IRAK

>  <Form> (1,320)
Free Base

>  <CAS> (1,320)
unknown

>  <URL> (1,320)
https://www.selleckchem.com/products/hs-243.html

$$$$
AY-20590
csChFnd80/01132110042D

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>  <Mol_ID> (1,321)
1321

>  <Formula> (1,321)
C16H10N2O2

>  <MolWeight> (1,321)
262.2628

>  <Cat> (1,321)
P3252

>  <Name> (1,321)
AY-20590

>  <Synonyms> (1,321)
N/A

>  <Target> (1,321)
Mcl-1,Anti-infection,PDGFR

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free base

>  <CAS> (1,321)
57490-73-0

>  <URL> (1,321)
N/A

$$$$
WAY-278534
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  7  2  2  0  0  0  0
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M  END
>  <Mol_ID> (1,322)
1550

>  <Formula> (1,322)
C11H9NO3S

>  <MolWeight> (1,322)
235.25906

>  <Cat> (1,322)
P3292

>  <Name> (1,322)
WAY-278534

>  <Synonyms> (1,322)
N/A

>  <Target> (1,322)
Pim-1,Pim-2

>  <Form> (1,322)
free base

>  <CAS> (1,322)
6320-51-0

>  <URL> (1,322)
N/A

$$$$
WAY-299369
csChFnd80/01132110042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  7  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,323)
1551

>  <Formula> (1,323)
C15H15ClN2O3

>  <MolWeight> (1,323)
306.7442

>  <Cat> (1,323)
P3304

>  <Name> (1,323)
WAY-299369

>  <Synonyms> (1,323)
N/A

>  <Target> (1,323)
AR,DNA binding,GSK-3¦Á/¦Â,MDM4 and p53

>  <Form> (1,323)
free base

>  <CAS> (1,323)
1005078-45-4

>  <URL> (1,323)
N/A

$$$$
WAY-382818
csChFnd80/01132110042D

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 12  5  1  0  0  0  0
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  6  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,324)
1552

>  <Formula> (1,324)
C24H20N4O5

>  <MolWeight> (1,324)
444.4394

>  <Cat> (1,324)
P3418

>  <Name> (1,324)
WAY-382818

>  <Synonyms> (1,324)
N/A

>  <Target> (1,324)
mitogen-activated protein kinase phosphatase

>  <Form> (1,324)
free base

>  <CAS> (1,324)
1022922-35-5

>  <URL> (1,324)
N/A

$$$$
WAY-383270
csChFnd80/01132110042D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
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  6  5  1  0  0  0  0
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  8 12  1  0  0  0  0
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 10  8  1  0  0  0  0
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 12  7  1  0  0  0  0
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,325)
1553

>  <Formula> (1,325)
C23H24FN3O2S

>  <MolWeight> (1,325)
425.5189632

>  <Cat> (1,325)
P3419

>  <Name> (1,325)
WAY-383270

>  <Synonyms> (1,325)
N/A

>  <Target> (1,325)
Casein kinase 1¦Ä

>  <Form> (1,325)
free base

>  <CAS> (1,325)
1024284-84-1

>  <URL> (1,325)
N/A

$$$$
GI-566508
csChFnd80/01132110042D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,326)
1554

>  <Formula> (1,326)
C17H17N3S

>  <MolWeight> (1,326)
295.40198

>  <Cat> (1,326)
P3259

>  <Name> (1,326)
GI-566508

>  <Synonyms> (1,326)
N/A

>  <Target> (1,326)
EGFR 

>  <Form> (1,326)
free base

>  <CAS> (1,326)
1164458-14-3

>  <URL> (1,326)
N/A

$$$$
WAY-107407
csChFnd80/01132110042D

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  1  2  1  0  0  0  0
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 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
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 18 20  2  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,327)
1555

>  <Formula> (1,327)
C15H12N2O3

>  <MolWeight> (1,327)
268.26738

>  <Cat> (1,327)
P3262

>  <Name> (1,327)
WAY-107407

>  <Synonyms> (1,327)
N/A

>  <Target> (1,327)
PI3K

>  <Form> (1,327)
free base

>  <CAS> (1,327)
1164469-67-3

>  <URL> (1,327)
N/A

$$$$
WAY-114506
csChFnd80/01132110042D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14  3  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
  6  3  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,328)
1556

>  <Formula> (1,328)
C10H18N4O4

>  <MolWeight> (1,328)
258.27432

>  <Cat> (1,328)
P3265

>  <Name> (1,328)
WAY-114506

>  <Synonyms> (1,328)
N/A

>  <Target> (1,328)
amyloid beta

>  <Form> (1,328)
free base

>  <CAS> (1,328)
1164500-43-9

>  <URL> (1,328)
N/A

$$$$
WAY-221060-A
csChFnd80/01132110042D

 19 21  0  0  0  0  0  0  0  0999 V2000
   10.3305   -6.3810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2415   -6.3810    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   13.1225   -4.7565    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   12.1460   -3.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  1  0  0  0  0
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  5  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,329)
1557

>  <Formula> (1,329)
C17H25NO

>  <MolWeight> (1,329)
259.3865

>  <Cat> (1,329)
P3266

>  <Name> (1,329)
WAY-221060-A

>  <Synonyms> (1,329)
N/A

>  <Target> (1,329)
hOCT1 and hOCT2,JARID1A and JARID1B

>  <Form> (1,329)
free base

>  <CAS> (1,329)
1351406-38-6

>  <URL> (1,329)
N/A

$$$$
WAY-240932
csChFnd80/01132110042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
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  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
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  6 13  1  0  0  0  0
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 10 15  1  0  0  0  0
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 18 21  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,330)
1558

>  <Formula> (1,330)
C15H11BrN2O2S

>  <MolWeight> (1,330)
363.22904

>  <Cat> (1,330)
P3269

>  <Name> (1,330)
WAY-240932

>  <Synonyms> (1,330)
N/A

>  <Target> (1,330)
serine/threonine kinase

>  <Form> (1,330)
free base

>  <CAS> (1,330)
326914-66-3

>  <URL> (1,330)
N/A

$$$$
WAY-299590
csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  2  4  2  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15  4  1  0  0  0  0
 16 14  1  0  0  0  0
 14 17  2  0  0  0  0
 18 10  2  0  0  0  0
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 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 20 22  2  0  0  0  0
 12 13  1  0  0  0  0
 15 19  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,331)
1559

>  <Formula> (1,331)
C19H20FNO

>  <MolWeight> (1,331)
297.3666032

>  <Cat> (1,331)
P3305

>  <Name> (1,331)
WAY-299590

>  <Synonyms> (1,331)
N/A

>  <Target> (1,331)
InhA,p38a

>  <Form> (1,331)
free base

>  <CAS> (1,331)
260428-61-3

>  <URL> (1,331)
N/A

$$$$
WAY-300062
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 21 23  2  0  0  0  0
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  9 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,332)
1560

>  <Formula> (1,332)
C16H16N4O2S

>  <MolWeight> (1,332)
328.38884

>  <Cat> (1,332)
P3307

>  <Name> (1,332)
WAY-300062

>  <Synonyms> (1,332)
N/A

>  <Target> (1,332)
Anti-infection

>  <Form> (1,332)
free base

>  <CAS> (1,332)
330990-68-6

>  <URL> (1,332)
N/A

$$$$
WAY-299721
csChFnd80/01132110042D

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 13 15  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,333)
1561

>  <Formula> (1,333)
C18H15ClF3N5OS

>  <MolWeight> (1,333)
441.8578096

>  <Cat> (1,333)
P3306

>  <Name> (1,333)
WAY-299721

>  <Synonyms> (1,333)
N/A

>  <Target> (1,333)
SYK kinase

>  <Form> (1,333)
free base

>  <CAS> (1,333)
338427-78-4

>  <URL> (1,333)
N/A

$$$$
WAY-300385
csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  4 10  2  0  0  0  0
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  8 13  2  0  0  0  0
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 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 18 20  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,334)
1562

>  <Formula> (1,334)
C13H15N3O2S2

>  <MolWeight> (1,334)
309.4071

>  <Cat> (1,334)
P3308

>  <Name> (1,334)
WAY-300385

>  <Synonyms> (1,334)
N/A

>  <Target> (1,334)
Anti-infection

>  <Form> (1,334)
free base

>  <CAS> (1,334)
500188-71-6

>  <URL> (1,334)
N/A

$$$$
WAY-300442
csChFnd80/01132110042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 18 22  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,335)
1563

>  <Formula> (1,335)
C18H11BrN2O4

>  <MolWeight> (1,335)
399.19494

>  <Cat> (1,335)
P3309

>  <Name> (1,335)
WAY-300442

>  <Synonyms> (1,335)
N/A

>  <Target> (1,335)
ATP-kinase

>  <Form> (1,335)
free base

>  <CAS> (1,335)
333773-08-3

>  <URL> (1,335)
N/A

$$$$
WAY-384934
csChFnd80/01132110042D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
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 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
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 27 19  2  0  0  0  0
 17 24  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,336)
1564

>  <Formula> (1,336)
C24H22N4O2

>  <MolWeight> (1,336)
398.45708

>  <Cat> (1,336)
P3420

>  <Name> (1,336)
WAY-384934

>  <Synonyms> (1,336)
N/A

>  <Target> (1,336)
pyruvate kinase

>  <Form> (1,336)
free base

>  <CAS> (1,336)
498568-75-5

>  <URL> (1,336)
N/A

$$$$
WAY-388796
csChFnd80/01132110042D

 15 17  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
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  6  2  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
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 13 11  1  0  0  0  0
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 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,337)
1565

>  <Formula> (1,337)
C11H11ClN2S

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238.73644

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N/A

>  <Target> (1,337)
PDE5,PARP-1,PDE4,LIMK1,c-Met

>  <Form> (1,337)
free base

>  <CAS> (1,337)
40106-58-9

>  <URL> (1,337)
N/A

$$$$
WAY-388798
csChFnd80/01132110042D

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>  <Synonyms> (1,338)
N/A

>  <Target> (1,338)
GPR40,histone deacetylase,mGluR5 receptor

>  <Form> (1,338)
free base

>  <CAS> (1,338)
63417-81-2

>  <URL> (1,338)
N/A

$$$$
WAY-346940
csChFnd80/01132110042D

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1567

>  <Formula> (1,339)
C15H11ClN4O2S

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346.79144

>  <Cat> (1,339)
P3391

>  <Name> (1,339)
WAY-346940

>  <Synonyms> (1,339)
N/A

>  <Target> (1,339)
Rho

>  <Form> (1,339)
free base

>  <CAS> (1,339)
392246-66-1

>  <URL> (1,339)
N/A

$$$$
WAY-347243
csChFnd80/01132110042D

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>  <Name> (1,340)
WAY-347243

>  <Synonyms> (1,340)
N/A

>  <Target> (1,340)
Anti-infection

>  <Form> (1,340)
free base

>  <CAS> (1,340)
422298-69-9

>  <URL> (1,340)
N/A

$$$$
WAY-347626
csChFnd80/01132110042D

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M  END
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>  <Formula> (1,341)
C17H15N3O3

>  <MolWeight> (1,341)
309.3193

>  <Cat> (1,341)
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>  <Name> (1,341)
WAY-347626

>  <Synonyms> (1,341)
N/A

>  <Target> (1,341)
CDK2

>  <Form> (1,341)
free base

>  <CAS> (1,341)
756843-31-9

>  <URL> (1,341)
N/A

$$$$
WAY-347806
csChFnd80/01132110042D

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1570

>  <Formula> (1,342)
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>  <Cat> (1,342)
P3394

>  <Name> (1,342)
WAY-347806

>  <Synonyms> (1,342)
N/A

>  <Target> (1,342)
CK2,GSK3¦Â

>  <Form> (1,342)
free base

>  <CAS> (1,342)
757198-76-8

>  <URL> (1,342)
N/A

$$$$
WAY-348144
csChFnd80/01132110042D

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 11  7  2  0  0  0  0
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M  END
>  <Mol_ID> (1,343)
1571

>  <Formula> (1,343)
C17H14N4O2S

>  <MolWeight> (1,343)
338.38366

>  <Cat> (1,343)
P3395

>  <Name> (1,343)
WAY-348144

>  <Synonyms> (1,343)
N/A

>  <Target> (1,343)
Casein kinase 1¦Ä

>  <Form> (1,343)
free base

>  <CAS> (1,343)
764694-25-9

>  <URL> (1,343)
N/A

$$$$
WAY-349807
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,344)
1572

>  <Formula> (1,344)
C28H26ClN3O3

>  <MolWeight> (1,344)
487.97734

>  <Cat> (1,344)
P3397

>  <Name> (1,344)
WAY-349807

>  <Synonyms> (1,344)
N/A

>  <Target> (1,344)
Pim-1

>  <Form> (1,344)
free base

>  <CAS> (1,344)
544662-95-5

>  <URL> (1,344)
N/A

$$$$
WAY-349858
csChFnd80/01132110042D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 20 10  1  0  0  0  0
 21 19  1  0  0  0  0
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  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,345)
1573

>  <Formula> (1,345)
C15H16N2O4S

>  <MolWeight> (1,345)
320.36354

>  <Cat> (1,345)
P3398

>  <Name> (1,345)
WAY-349858

>  <Synonyms> (1,345)
N/A

>  <Target> (1,345)
c-Jun N-terminal kinase

>  <Form> (1,345)
free base

>  <CAS> (1,345)
771503-50-5

>  <URL> (1,345)
N/A

$$$$
WAY-350732
csChFnd80/01132110042D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
  8  7  2  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,346)
1574

>  <Formula> (1,346)
C13H11BrN2O2S

>  <MolWeight> (1,346)
339.20764

>  <Cat> (1,346)
P3399

>  <Name> (1,346)
WAY-350732

>  <Synonyms> (1,346)
N/A

>  <Target> (1,346)
c-Jun N-terminal kinase

>  <Form> (1,346)
free base

>  <CAS> (1,346)
438602-71-2

>  <URL> (1,346)
N/A

$$$$
WAY-351429
csChFnd80/01132110042D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   16.0000   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
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  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
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 10  3  2  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
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 15  8  2  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18  5  1  0  0  0  0
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 27 23  2  0  0  0  0
 28 27  1  0  0  0  0
  4  5  1  0  0  0  0
 20 21  2  0  0  0  0
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M  END
>  <Mol_ID> (1,347)
1575

>  <Formula> (1,347)
C21H23N3O4

>  <MolWeight> (1,347)
381.42502

>  <Cat> (1,347)
P3400

>  <Name> (1,347)
WAY-351429

>  <Synonyms> (1,347)
N/A

>  <Target> (1,347)
choline kinase

>  <Form> (1,347)
free base

>  <CAS> (1,347)
451474-95-6

>  <URL> (1,347)
N/A

$$$$
WAY-351783
csChFnd80/01132110042D

 30 32  0  0  0  0  0  0  0  0999 V2000
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   10.0167   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,348)
1576

>  <Formula> (1,348)
C21H21ClN4O3S

>  <MolWeight> (1,348)
444.93444

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P3401

>  <Name> (1,348)
WAY-351783

>  <Synonyms> (1,348)
N/A

>  <Target> (1,348)
creatin kinase

>  <Form> (1,348)
free base

>  <CAS> (1,348)
460994-47-2

>  <URL> (1,348)
N/A

$$$$
WAY-351812
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,349)
1577

>  <Formula> (1,349)
C15H14F3N3O3S

>  <MolWeight> (1,349)
373.3501696

>  <Cat> (1,349)
P3402

>  <Name> (1,349)
WAY-351812

>  <Synonyms> (1,349)
N/A

>  <Target> (1,349)
CDK8

>  <Form> (1,349)
free base

>  <CAS> (1,349)
471289-61-9

>  <URL> (1,349)
N/A

$$$$
WAY-352098
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,350)
1578

>  <Formula> (1,350)
C17H12F3N5O2S

>  <MolWeight> (1,350)
407.3696896

>  <Cat> (1,350)
P3403

>  <Name> (1,350)
WAY-352098

>  <Synonyms> (1,350)
N/A

>  <Target> (1,350)
PDK1,CRTH2

>  <Form> (1,350)
free base

>  <CAS> (1,350)
482643-39-0

>  <URL> (1,350)
N/A

$$$$
WAY-352753
csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,351)
1579

>  <Formula> (1,351)
C14H10ClN3OS

>  <MolWeight> (1,351)
303.7667

>  <Cat> (1,351)
P3404

>  <Name> (1,351)
WAY-352753

>  <Synonyms> (1,351)
N/A

>  <Target> (1,351)
GSK-3

>  <Form> (1,351)
free base

>  <CAS> (1,351)
478482-74-5

>  <URL> (1,351)
N/A

$$$$
WAY-353591
csChFnd80/01132110042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,352)
1580

>  <Formula> (1,352)
C16H12FN3S

>  <MolWeight> (1,352)
297.3499832

>  <Cat> (1,352)
P3406

>  <Name> (1,352)
WAY-353591

>  <Synonyms> (1,352)
N/A

>  <Target> (1,352)
Casein kinase 1d

>  <Form> (1,352)
free base

>  <CAS> (1,352)
454427-09-9

>  <URL> (1,352)
N/A

$$$$
WAY-353890
csChFnd80/01132110042D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,353)
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C17H13FN4O

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WAY-353890

>  <Synonyms> (1,353)
N/A

>  <Target> (1,353)
FGFR1

>  <Form> (1,353)
free base

>  <CAS> (1,353)
459137-97-4

>  <URL> (1,353)
N/A

$$$$
WAY-354189
csChFnd80/01132110042D

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>  <Mol_ID> (1,354)
1582

>  <Formula> (1,354)
C15H12Cl2N2O4S

>  <MolWeight> (1,354)
387.23778

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P3408

>  <Name> (1,354)
WAY-354189

>  <Synonyms> (1,354)
N/A

>  <Target> (1,354)
JAK-STAT

>  <Form> (1,354)
free base

>  <CAS> (1,354)
850019-35-1

>  <URL> (1,354)
N/A

$$$$
GI-570261
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,355)
1583

>  <Formula> (1,355)
C22H19N5O3S

>  <MolWeight> (1,355)
433.48296

>  <Cat> (1,355)
P3261

>  <Name> (1,355)
GI-570261

>  <Synonyms> (1,355)
N/A

>  <Target> (1,355)
LRP5/6-sclerostin interaction,phosphatidylin

>  <Form> (1,355)
free base

>  <CAS> (1,355)
301357-76-6

>  <URL> (1,355)
N/A

$$$$
WAY-352835
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,356)
1584

>  <Formula> (1,356)
C16H15N3OS

>  <MolWeight> (1,356)
297.3748

>  <Cat> (1,356)
P3405

>  <Name> (1,356)
WAY-352835

>  <Synonyms> (1,356)
N/A

>  <Target> (1,356)
tyrosine kinase

>  <Form> (1,356)
free base

>  <CAS> (1,356)
401638-52-6

>  <URL> (1,356)
N/A

$$$$
WAY-354831
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,357)
1585

>  <Formula> (1,357)
C15H10FN3O3

>  <MolWeight> (1,357)
299.2566032

>  <Cat> (1,357)
P3409

>  <Name> (1,357)
WAY-354831

>  <Synonyms> (1,357)
N/A

>  <Target> (1,357)
c-Met 

>  <Form> (1,357)
free base

>  <CAS> (1,357)
330572-32-2

>  <URL> (1,357)
N/A

$$$$
WAY-354890
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,358)
1586

>  <Formula> (1,358)
C17H16FN3S

>  <MolWeight> (1,358)
313.3924432

>  <Cat> (1,358)
P3410

>  <Name> (1,358)
WAY-354890

>  <Synonyms> (1,358)
N/A

>  <Target> (1,358)
EGFR 

>  <Form> (1,358)
free base

>  <CAS> (1,358)
852407-49-9

>  <URL> (1,358)
N/A

$$$$
WAY-355772
csChFnd80/01132110042D

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 15  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,359)
1587

>  <Formula> (1,359)
C19H13F3N2O4S

>  <MolWeight> (1,359)
422.3777296

>  <Cat> (1,359)
P3411

>  <Name> (1,359)
WAY-355772

>  <Synonyms> (1,359)
N/A

>  <Target> (1,359)
serine/threonine kinase

>  <Form> (1,359)
free base

>  <CAS> (1,359)
442658-33-5

>  <URL> (1,359)
N/A

$$$$
WAY-357919
csChFnd80/01132110042D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11 13  1  0  0  0  0
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 14  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
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 23 22  1  0  0  0  0
  6  4  1  0  0  0  0
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 17 23  1  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,360)
1588

>  <Formula> (1,360)
C18H16N2O2S

>  <MolWeight> (1,360)
324.39684

>  <Cat> (1,360)
P3412

>  <Name> (1,360)
WAY-357919

>  <Synonyms> (1,360)
N/A

>  <Target> (1,360)
VEGFR

>  <Form> (1,360)
free base

>  <CAS> (1,360)
298207-77-9

>  <URL> (1,360)
N/A

$$$$
WAY-358024
csChFnd80/01132110042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
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 14  5  1  0  0  0  0
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 20 16  2  0  0  0  0
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M  END
>  <Mol_ID> (1,361)
1589

>  <Formula> (1,361)
C15H11N3O3

>  <MolWeight> (1,361)
281.26614

>  <Cat> (1,361)
P3413

>  <Name> (1,361)
WAY-358024

>  <Synonyms> (1,361)
N/A

>  <Target> (1,361)
GSK-3b

>  <Form> (1,361)
free base

>  <CAS> (1,361)
70169-39-0

>  <URL> (1,361)
N/A

$$$$
WAY-358667-A
csChFnd80/01132110042D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,362)
1590

>  <Formula> (1,362)
C12H8N2S2

>  <MolWeight> (1,362)
244.33532

>  <Cat> (1,362)
P3414

>  <Name> (1,362)
WAY-358667-A

>  <Synonyms> (1,362)
N/A

>  <Target> (1,362)
Human protein kinase CK2

>  <Form> (1,362)
free base

>  <CAS> (1,362)
182198-89-6

>  <URL> (1,362)
N/A

$$$$
WAY-358981
csChFnd80/01132110042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,363)
1591

>  <Formula> (1,363)
C14H12N4O

>  <MolWeight> (1,363)
252.27128

>  <Cat> (1,363)
P3415

>  <Name> (1,363)
WAY-358981

>  <Synonyms> (1,363)
N/A

>  <Target> (1,363)
sphingosine kinase

>  <Form> (1,363)
free base

>  <CAS> (1,363)
307322-32-3

>  <URL> (1,363)
N/A

$$$$
WAY-359594
csChFnd80/01132110042D

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 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  1  0  0  0  0
 13  2  1  0  0  0  0
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 21  9  2  0  0  0  0
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 10  4  2  0  0  0  0
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 27 21  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,364)
1592

>  <Formula> (1,364)
C23H21N3O2

>  <MolWeight> (1,364)
371.43174

>  <Cat> (1,364)
P3416

>  <Name> (1,364)
WAY-359594

>  <Synonyms> (1,364)
N/A

>  <Target> (1,364)
G protein coupled receptor 6 kinase

>  <Form> (1,364)
free base

>  <CAS> (1,364)
33495-39-5

>  <URL> (1,364)
N/A

$$$$
WAY-381785
csChFnd80/01132110042D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 14  5  1  0  0  0  0
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 21 10  1  0  0  0  0
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 10  9  2  0  0  0  0
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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,365)
1593

>  <Formula> (1,365)
C20H23N3O

>  <MolWeight> (1,365)
321.41612

>  <Cat> (1,365)
P3417

>  <Name> (1,365)
WAY-381785

>  <Synonyms> (1,365)
N/A

>  <Target> (1,365)
GSK3

>  <Form> (1,365)
free base

>  <CAS> (1,365)
511239-29-5

>  <URL> (1,365)
N/A

$$$$
WAY-313201
csChFnd80/01132110042D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,366)
1594

>  <Formula> (1,366)
C12H12N2O3S

>  <MolWeight> (1,366)
264.30028

>  <Cat> (1,366)
P3320

>  <Name> (1,366)
WAY-313201

>  <Synonyms> (1,366)
N/A

>  <Target> (1,366)
 GSK-3b

>  <Form> (1,366)
free base

>  <CAS> (1,366)
571904-77-3

>  <URL> (1,366)
N/A

$$$$
WAY-311972
csChFnd80/01132110042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 14 13  2  0  0  0  0
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M  END
>  <Mol_ID> (1,367)
1595

>  <Formula> (1,367)
C21H18BrN3O3

>  <MolWeight> (1,367)
440.28992

>  <Cat> (1,367)
P3315

>  <Name> (1,367)
WAY-311972

>  <Synonyms> (1,367)
N/A

>  <Target> (1,367)
ATP-kinases

>  <Form> (1,367)
free base

>  <CAS> (1,367)
606948-76-9

>  <URL> (1,367)
N/A

$$$$
WAY-113178
csChFnd80/01132110042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,368)
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P3263

>  <Name> (1,368)
WAY-113178

>  <Synonyms> (1,368)
N/A

>  <Target> (1,368)
IkB kinase-beta 

>  <Form> (1,368)
free base

>  <CAS> (1,368)
638999-98-1

>  <URL> (1,368)
N/A

$$$$
WAY-225588
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,369)
1597

>  <Formula> (1,369)
C17H15N3O

>  <MolWeight> (1,369)
277.3205

>  <Cat> (1,369)
P3267

>  <Name> (1,369)
WAY-225588

>  <Synonyms> (1,369)
N/A

>  <Target> (1,369)
GRK6

>  <Form> (1,369)
free base

>  <CAS> (1,369)
6765-52-2

>  <URL> (1,369)
N/A

$$$$
WAY-312602
csChFnd80/01132110042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 18  3  0  0  0  0
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M  END
>  <Mol_ID> (1,370)
1598

>  <Formula> (1,370)
C17H17N5O3

>  <MolWeight> (1,370)
339.34858

>  <Cat> (1,370)
P3318

>  <Name> (1,370)
WAY-312602

>  <Synonyms> (1,370)
N/A

>  <Target> (1,370)
maternal embryonic leucine zipper kinase

>  <Form> (1,370)
free base

>  <CAS> (1,370)
681266-13-7

>  <URL> (1,370)
N/A

$$$$
WAY-344977
csChFnd80/01132110042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,371)
1599

>  <Formula> (1,371)
C17H17ClN4O2S

>  <MolWeight> (1,371)
376.86048

>  <Cat> (1,371)
P3389

>  <Name> (1,371)
WAY-344977

>  <Synonyms> (1,371)
N/A

>  <Target> (1,371)
GSK-3

>  <Form> (1,371)
free base

>  <CAS> (1,371)
686743-57-7

>  <URL> (1,371)
N/A

$$$$
WAY-310507
csChFnd80/01132110042D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,372)
1600

>  <Formula> (1,372)
C11H10N4O2S

>  <MolWeight> (1,372)
262.2877

>  <Cat> (1,372)
P3311

>  <Name> (1,372)
WAY-310507

>  <Synonyms> (1,372)
N/A

>  <Target> (1,372)
Anti-infection

>  <Form> (1,372)
free base

>  <CAS> (1,372)
686743-93-1

>  <URL> (1,372)
N/A

$$$$
WAY-310944
csChFnd80/01132110042D

 17 19  0  0  0  0  0  0  0  0999 V2000
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free base

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688335-53-7

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N/A

$$$$
WAY-310334
csChFnd80/01132110042D

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N/A

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mPGES-1,human protein kinase CK2

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free base

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688335-72-0

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N/A

$$$$
WAY-310819
csChFnd80/01132110042D

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>  <Synonyms> (1,375)
N/A

>  <Target> (1,375)
B-Raf

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free base

>  <CAS> (1,375)
326918-98-3

>  <URL> (1,375)
N/A

$$$$
CL-59089
csChFnd80/01132110042D

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sirtuin,Rho,CDK

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free base

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3008-61-5

>  <URL> (1,376)
N/A

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WAY-616312
csChFnd80/01132110042D

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>  <Synonyms> (1,377)
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>  <Target> (1,377)
sirtuin,Rho,CDK

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free base

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730946-98-2

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N/A

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WAY-624687
csChFnd80/01132110042D

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free base

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753473-65-3

>  <URL> (1,378)
N/A

$$$$
WAY-330162
csChFnd80/01132110042D

 30 32  0  0  0  0  0  0  0  0999 V2000
    8.4625   -6.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375   -4.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0125   -5.4250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0750   -6.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2625   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9125   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9375   -4.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -7.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -3.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9500   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -7.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -6.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 17  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10 13  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  2  0  0  0  0
 15  2  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18  6  2  0  0  0  0
 19 10  2  0  0  0  0
 20 16  1  0  0  0  0
 21 22  2  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24  5  1  0  0  0  0
 25 23  1  0  0  0  0
 26  6  1  0  0  0  0
 27 28  2  0  0  0  0
 28 22  1  0  0  0  0
 29 27  1  0  0  0  0
 30 25  1  0  0  0  0
  4  8  1  0  0  0  0
  9  7  2  0  0  0  0
 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,379)
1607

>  <Formula> (1,379)
C22H26N2O5S

>  <MolWeight> (1,379)
430.51724

>  <Cat> (1,379)
P3377

>  <Name> (1,379)
WAY-330162

>  <Synonyms> (1,379)
N/A

>  <Target> (1,379)
Kinase

>  <Form> (1,379)
free base

>  <CAS> (1,379)
868963-46-6

>  <URL> (1,379)
N/A

$$$$
WAY-333883
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -12.3542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3542    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.9667    5.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    7.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8292    7.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9125    8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1292    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3750    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667   10.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -16.0000    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15  6  2  0  0  0  0
 16 11  2  0  0  0  0
 17 19  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
  7  9  2  0  0  0  0
  6  5  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,380)
1608

>  <Formula> (1,380)
C16H16Cl2N4O

>  <MolWeight> (1,380)
351.23044

>  <Cat> (1,380)
P3382

>  <Name> (1,380)
WAY-333883

>  <Synonyms> (1,380)
N/A

>  <Target> (1,380)
pyruvate kinase

>  <Form> (1,380)
free base

>  <CAS> (1,380)
863448-35-5

>  <URL> (1,380)
N/A

$$$$
WAY-333875
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -12.3542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3542    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9333    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 22  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  2  0  0  0  0
 23 13  1  0  0  0  0
  7 10  2  0  0  0  0
  6  5  1  0  0  0  0
 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,381)
1609

>  <Formula> (1,381)
C16H16ClFN4O

>  <MolWeight> (1,381)
334.7758432

>  <Cat> (1,381)
P3380

>  <Name> (1,381)
WAY-333875

>  <Synonyms> (1,381)
N/A

>  <Target> (1,381)
pyruvate kinase

>  <Form> (1,381)
free base

>  <CAS> (1,381)
863448-22-0

>  <URL> (1,381)
N/A

$$$$
WAY-333878
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -12.3542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3542    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9125    5.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    5.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    7.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.5542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.1292    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3458    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -16.0000    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.1500    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  1  0  0  0  0
 23 17  1  0  0  0  0
  7  9  2  0  0  0  0
  6  5  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,382)
1610

>  <Formula> (1,382)
C18H22N4O

>  <MolWeight> (1,382)
310.39348

>  <Cat> (1,382)
P3381

>  <Name> (1,382)
WAY-333878

>  <Synonyms> (1,382)
N/A

>  <Target> (1,382)
pyruvate kinase

>  <Form> (1,382)
free base

>  <CAS> (1,382)
863448-25-3

>  <URL> (1,382)
N/A

$$$$
WAY-329412
csChFnd80/01132110042D

 33 37  0  0  0  0  0  0  0  0999 V2000
   14.2375  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7875  -12.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4000  -11.1125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1750  -10.8500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.9500  -13.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375  -11.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7250  -12.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4875  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875   -9.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -9.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0625   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750  -12.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9000   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
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N/A

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WAY-329689
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>  <Synonyms> (1,384)
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Abl

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free base

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943934-76-7

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N/A

$$$$
WAY-329424
csChFnd80/01132110042D

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Abl

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free base

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943933-52-6

>  <URL> (1,385)
N/A

$$$$
WAY-329686
csChFnd80/01132110042D

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>  <Cat> (1,386)
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>  <Synonyms> (1,386)
N/A

>  <Target> (1,386)
Abl

>  <Form> (1,386)
free base

>  <CAS> (1,386)
943934-31-4

>  <URL> (1,386)
N/A

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WAY-329410
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>  <Synonyms> (1,387)
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Abl

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free base

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943932-62-5

>  <URL> (1,387)
N/A

$$$$
WAY-329685
csChFnd80/01132110042D

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>  <Formula> (1,388)
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>  <MolWeight> (1,388)
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>  <Cat> (1,388)
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>  <Name> (1,388)
WAY-329685

>  <Synonyms> (1,388)
N/A

>  <Target> (1,388)
Abl

>  <Form> (1,388)
free base

>  <CAS> (1,388)
943934-25-6

>  <URL> (1,388)
N/A

$$$$
WAY-329423
csChFnd80/01132110042D

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>  <Formula> (1,389)
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>  <MolWeight> (1,389)
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>  <Cat> (1,389)
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>  <Name> (1,389)
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>  <Synonyms> (1,389)
N/A

>  <Target> (1,389)
Abl

>  <Form> (1,389)
free base

>  <CAS> (1,389)
943933-49-1

>  <URL> (1,389)
N/A

$$$$
WAY-329356
csChFnd80/01132110042D

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>  <Formula> (1,390)
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>  <MolWeight> (1,390)
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>  <Cat> (1,390)
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>  <Name> (1,390)
WAY-329356

>  <Synonyms> (1,390)
N/A

>  <Target> (1,390)
Abl

>  <Form> (1,390)
free base

>  <CAS> (1,390)
943932-17-0

>  <URL> (1,390)
N/A

$$$$
WAY-329341
csChFnd80/01132110042D

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Abl

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free base

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943931-29-1

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N/A

$$$$
WAY-329340
csChFnd80/01132110042D

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WAY-329340

>  <Synonyms> (1,392)
N/A

>  <Target> (1,392)
Abl

>  <Form> (1,392)
free base

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943931-23-5

>  <URL> (1,392)
N/A

$$$$
WAY-641918
csChFnd80/01132110042D

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1621

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C25H24N2O3

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WAY-641918

>  <Synonyms> (1,393)
N/A

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TAO kinase

>  <Form> (1,393)
free base

>  <CAS> (1,393)
850467-77-5

>  <URL> (1,393)
N/A

$$$$
WAY-278459-A
csChFnd80/01132110042D

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>  <Mol_ID> (1,394)
1622

>  <Formula> (1,394)
C11H12N2OS

>  <MolWeight> (1,394)
220.29078

>  <Cat> (1,394)
P3291

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WAY-278459-A

>  <Synonyms> (1,394)
N/A

>  <Target> (1,394)
Plasmodium falciparum Apical Membrane Antige

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free base

>  <CAS> (1,394)
105512-88-7

>  <URL> (1,394)
N/A

$$$$
WAY-643895
csChFnd80/01132110042D

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>  <Mol_ID> (1,395)
1623

>  <Formula> (1,395)
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P3503

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WAY-643895

>  <Synonyms> (1,395)
N/A

>  <Target> (1,395)
Casein kinase 1¦Ä

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free base

>  <CAS> (1,395)
851871-94-8

>  <URL> (1,395)
N/A

$$$$
WAY-278559-A
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,396)
1624

>  <Formula> (1,396)
C17H23N3O

>  <MolWeight> (1,396)
285.38402

>  <Cat> (1,396)
P3294

>  <Name> (1,396)
WAY-278559-A

>  <Synonyms> (1,396)
N/A

>  <Target> (1,396)
ethanolamine kinase

>  <Form> (1,396)
free base

>  <CAS> (1,396)
301330-81-4

>  <URL> (1,396)
N/A

$$$$
WAY-642481
csChFnd80/01132110042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
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 18  6  1  0  0  0  0
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 18 21  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,397)
1625

>  <Formula> (1,397)
C17H16N2OS

>  <MolWeight> (1,397)
296.38674

>  <Cat> (1,397)
P3501

>  <Name> (1,397)
WAY-642481

>  <Synonyms> (1,397)
N/A

>  <Target> (1,397)
CDK

>  <Form> (1,397)
free base

>  <CAS> (1,397)
22312-45-4

>  <URL> (1,397)
N/A

$$$$
WAY-643632-A
csChFnd80/01132110042D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
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  6  2  2  0  0  0  0
M  END
>  <Mol_ID> (1,398)
1626

>  <Formula> (1,398)
C11H14N2O2

>  <MolWeight> (1,398)
206.24106

>  <Cat> (1,398)
P3502

>  <Name> (1,398)
WAY-643632-A

>  <Synonyms> (1,398)
N/A

>  <Target> (1,398)
SRC kinase,TTX-S channel

>  <Form> (1,398)
free base

>  <CAS> (1,398)
500356-88-7

>  <URL> (1,398)
N/A

$$$$
WAY-616763
csChFnd80/01132110042D

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  2  1  1  0  0  0  0
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  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  5  2  0  0  0  0
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 11  1  2  0  0  0  0
 12 15  1  0  0  0  0
 13 22  1  0  0  0  0
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 15 17  2  0  0  0  0
 16  8  2  0  0  0  0
 17 18  1  0  0  0  0
 18  8  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  2  0  0  0  0
 21 24  2  0  0  0  0
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 25 14  1  0  0  0  0
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 27 19  2  0  0  0  0
 28  9  1  0  0  0  0
 27 22  1  0  0  0  0
  9  6  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,399)
1627

>  <Formula> (1,399)
C18H15Cl2N3O4S

>  <MolWeight> (1,399)
440.3004

>  <Cat> (1,399)
P3456

>  <Name> (1,399)
WAY-616763

>  <Synonyms> (1,399)
N/A

>  <Target> (1,399)
Anti-infection

>  <Form> (1,399)
free base

>  <CAS> (1,399)
735303-62-5

>  <URL> (1,399)
N/A

$$$$
WAY-641966
csChFnd80/01132110042D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 13  6  1  0  0  0  0
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 16  8  1  0  0  0  0
 17  8  2  0  0  0  0
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  5  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,400)
1628

>  <Formula> (1,400)
C20H16N4

>  <MolWeight> (1,400)
312.36784

>  <Cat> (1,400)
P3499

>  <Name> (1,400)
WAY-641966

>  <Synonyms> (1,400)
N/A

>  <Target> (1,400)
TGF-¦Â,p38-¦Á

>  <Form> (1,400)
free base

>  <CAS> (1,400)
259870-32-1

>  <URL> (1,400)
N/A

$$$$
WAY-642424
csChFnd80/01132110042D

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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 16 25  2  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  2  0  0  0  0
 20 22  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 11  1  0  0  0  0
 27 11  2  0  0  0  0
  3  5  1  0  0  0  0
 21 20  1  0  0  0  0
 16 24  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,401)
1629

>  <Formula> (1,401)
C19H14FN5OS

>  <MolWeight> (1,401)
379.4107632

>  <Cat> (1,401)
P3500

>  <Name> (1,401)
WAY-642424

>  <Synonyms> (1,401)
N/A

>  <Target> (1,401)
Casein kinase 1¦Ä

>  <Form> (1,401)
free base

>  <CAS> (1,401)
851396-73-1

>  <URL> (1,401)
N/A

$$$$
WAY-329592
csChFnd80/01132110042D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.2625   -8.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10 12  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15 10  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18  8  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 21 24  1  0  0  0  0
 22  7  2  0  0  0  0
 23 10  2  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 26 18  1  0  0  0  0
 27  6  1  0  0  0  0
 28  7  1  0  0  0  0
 29 17  1  0  0  0  0
 30 21  1  0  0  0  0
  5 16  2  0  0  0  0
  6  9  1  0  0  0  0
 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,402)
1630

>  <Formula> (1,402)
C22H25BrN2O4S

>  <MolWeight> (1,402)
493.4139

>  <Cat> (1,402)
P3368

>  <Name> (1,402)
WAY-329592

>  <Synonyms> (1,402)
N/A

>  <Target> (1,402)
tyrosine kinase

>  <Form> (1,402)
free base

>  <CAS> (1,402)
868963-53-5

>  <URL> (1,402)
N/A

$$$$
WAY-333939
csChFnd80/01132110042D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.3375    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 26 24  1  0  0  0  0
  4  3  1  0  0  0  0
  9  7  2  0  0  0  0
 20 18  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,403)
1631

>  <Formula> (1,403)
C19H21N5O2

>  <MolWeight> (1,403)
351.40234

>  <Cat> (1,403)
P3384

>  <Name> (1,403)
WAY-333939

>  <Synonyms> (1,403)
N/A

>  <Target> (1,403)
Anti-infection

>  <Form> (1,403)
free base

>  <CAS> (1,403)
689268-14-2

>  <URL> (1,403)
N/A

$$$$
WAY-333908
csChFnd80/01132110042D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.3375    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6333    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  2  0  0  0  0
 14 10  2  0  0  0  0
 15 17  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 22  2  0  0  0  0
 20 12  2  0  0  0  0
 21 12  1  0  0  0  0
 22 18  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
  4  3  1  0  0  0  0
  9  7  2  0  0  0  0
 25 24  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,404)
1632

>  <Formula> (1,404)
C17H12N6O2

>  <MolWeight> (1,404)
332.31618

>  <Cat> (1,404)
P3383

>  <Name> (1,404)
WAY-333908

>  <Synonyms> (1,404)
N/A

>  <Target> (1,404)
others

>  <Form> (1,404)
free base

>  <CAS> (1,404)
689269-24-7

>  <URL> (1,404)
N/A

$$$$
WAY-333945
csChFnd80/01132110042D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.3375    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  2  0  0  0  0
 15 11  2  0  0  0  0
 16 13  1  0  0  0  0
 17 10  2  0  0  0  0
 18 15  1  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21 10  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
  4  3  1  0  0  0  0
  9  7  2  0  0  0  0
 16 18  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,405)
1633

>  <Formula> (1,405)
C17H13N5O2S

>  <MolWeight> (1,405)
351.38242

>  <Cat> (1,405)
P3385

>  <Name> (1,405)
WAY-333945

>  <Synonyms> (1,405)
N/A

>  <Target> (1,405)
Anti-infection

>  <Form> (1,405)
free base

>  <CAS> (1,405)
689273-45-8

>  <URL> (1,405)
N/A

$$$$
WAY-616584
csChFnd80/01132110042D

 22 26  0  0  0  0  0  0  0  0999 V2000
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M  END
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N/A

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Casein kinase 1¦Ä

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free base

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695223-53-1

>  <URL> (1,406)
N/A

$$$$
WAY-625530
csChFnd80/01132110042D

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>  <Name> (1,407)
WAY-625530

>  <Synonyms> (1,407)
N/A

>  <Target> (1,407)
FGFR1

>  <Form> (1,407)
free base

>  <CAS> (1,407)
956782-57-3

>  <URL> (1,407)
N/A

$$$$
WAY-625741
csChFnd80/01132110042D

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WAY-625741

>  <Synonyms> (1,408)
N/A

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Casein kinase 1d

>  <Form> (1,408)
free base

>  <CAS> (1,408)
756857-71-3

>  <URL> (1,408)
N/A

$$$$
WAY-626116
csChFnd80/01132110042D

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>  <Mol_ID> (1,409)
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WAY-626116

>  <Synonyms> (1,409)
N/A

>  <Target> (1,409)
Casein kinase 1d

>  <Form> (1,409)
free base

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753468-25-6

>  <URL> (1,409)
N/A

$$$$
WAY-273170
csChFnd80/01132110042D

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>  <Mol_ID> (1,410)
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>  <Formula> (1,410)
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396.85012

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>  <Synonyms> (1,410)
N/A

>  <Target> (1,410)
Myt1

>  <Form> (1,410)
free base

>  <CAS> (1,410)
478247-52-8

>  <URL> (1,410)
N/A

$$$$
WAY-277054
csChFnd80/01132110042D

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>  <Mol_ID> (1,411)
1639

>  <Formula> (1,411)
C16H11ClFN3OS2

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379.8594432

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P3290

>  <Name> (1,411)
WAY-277054

>  <Synonyms> (1,411)
N/A

>  <Target> (1,411)
tyrosine kinase

>  <Form> (1,411)
free base

>  <CAS> (1,411)
753467-39-9?

>  <URL> (1,411)
N/A

$$$$
WAY-336715
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,412)
1640

>  <Formula> (1,412)
C21H20N4OS

>  <MolWeight> (1,412)
376.4747

>  <Cat> (1,412)
P3386

>  <Name> (1,412)
WAY-336715

>  <Synonyms> (1,412)
N/A

>  <Target> (1,412)
CDK8

>  <Form> (1,412)
free base

>  <CAS> (1,412)
451458-32-5

>  <URL> (1,412)
N/A

$$$$
WAY-337647
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,413)
1641

>  <Formula> (1,413)
C15H12ClNO4

>  <MolWeight> (1,413)
305.71308

>  <Cat> (1,413)
P3387

>  <Name> (1,413)
WAY-337647

>  <Synonyms> (1,413)
N/A

>  <Target> (1,413)
f mitogen-activated protein kinase kinase 4

>  <Form> (1,413)
free base

>  <CAS> (1,413)
1402605-80-4

>  <URL> (1,413)
N/A

$$$$
WAY-612453
csChFnd80/01132110042D

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>  <Mol_ID> (1,414)
1642

>  <Formula> (1,414)
C9H8Cl2N4S

>  <MolWeight> (1,414)
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>  <Cat> (1,414)
P3446

>  <Name> (1,414)
WAY-612453

>  <Synonyms> (1,414)
N/A

>  <Target> (1,414)
Anti-infection

>  <Form> (1,414)
free base

>  <CAS> (1,414)
300809-10-3

>  <URL> (1,414)
N/A

$$$$
WAY-612622
csChFnd80/01132110042D

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M  END
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CDK

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free base

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288401-60-5

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N/A

$$$$
WAY-612698
csChFnd80/01132110042D

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>  <Mol_ID> (1,416)
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>  <Name> (1,416)
WAY-612698

>  <Synonyms> (1,416)
N/A

>  <Target> (1,416)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,416)
free base

>  <CAS> (1,416)
565191-45-9

>  <URL> (1,416)
N/A

$$$$
WAY-612763
csChFnd80/01132110042D

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>  <Mol_ID> (1,417)
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P3449

>  <Name> (1,417)
WAY-612763

>  <Synonyms> (1,417)
N/A

>  <Target> (1,417)
YycG histidine kinase

>  <Form> (1,417)
free base

>  <CAS> (1,417)
479060-67-8

>  <URL> (1,417)
N/A

$$$$
WAY-630308
csChFnd80/01132110042D

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>  <Mol_ID> (1,418)
1646

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>  <Name> (1,418)
WAY-630308

>  <Synonyms> (1,418)
N/A

>  <Target> (1,418)
Casein kinase 1¦Ä

>  <Form> (1,418)
free base

>  <CAS> (1,418)
326034-30-4

>  <URL> (1,418)
N/A

$$$$
WAY-630363
csChFnd80/01132110042D

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>  <Name> (1,419)
WAY-630363

>  <Synonyms> (1,419)
N/A

>  <Target> (1,419)
Casein kinase 1¦Ä

>  <Form> (1,419)
free base

>  <CAS> (1,419)
729579-66-2

>  <URL> (1,419)
N/A

$$$$
WAY-647361
csChFnd80/01132110042D

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>  <Synonyms> (1,420)
N/A

>  <Target> (1,420)
 PI3K

>  <Form> (1,420)
free base

>  <CAS> (1,420)
852399-94-1

>  <URL> (1,420)
N/A

$$$$
WAY-647636
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,421)
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>  <Formula> (1,421)
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>  <MolWeight> (1,421)
430.47902

>  <Cat> (1,421)
P3505

>  <Name> (1,421)
WAY-647636

>  <Synonyms> (1,421)
N/A

>  <Target> (1,421)
Casein kinase 1¦Ä

>  <Form> (1,421)
free base

>  <CAS> (1,421)
556055-08-4

>  <URL> (1,421)
N/A

$$$$
WAY-647729
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,422)
1650

>  <Formula> (1,422)
C16H11N3OS

>  <MolWeight> (1,422)
293.34304

>  <Cat> (1,422)
P3506

>  <Name> (1,422)
WAY-647729

>  <Synonyms> (1,422)
N/A

>  <Target> (1,422)
CDK

>  <Form> (1,422)
free base

>  <CAS> (1,422)
852678-17-2

>  <URL> (1,422)
N/A

$$$$
WAY-647766
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,423)
1651

>  <Formula> (1,423)
C16H12N6S

>  <MolWeight> (1,423)
320.37168

>  <Cat> (1,423)
P3507

>  <Name> (1,423)
WAY-647766

>  <Synonyms> (1,423)
N/A

>  <Target> (1,423)
Casein kinase 1¦Ä

>  <Form> (1,423)
free base

>  <CAS> (1,423)
851168-98-4

>  <URL> (1,423)
N/A

$$$$
WAY-647802
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,424)
1652

>  <Formula> (1,424)
C11H14N4O3

>  <MolWeight> (1,424)
250.25386

>  <Cat> (1,424)
P3508

>  <Name> (1,424)
WAY-647802

>  <Synonyms> (1,424)
N/A

>  <Target> (1,424)
EGFR,CDK4 and 6

>  <Form> (1,424)
free base

>  <CAS> (1,424)
852225-20-8

>  <URL> (1,424)
N/A

$$$$
WAY-648936
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,425)
1653

>  <Formula> (1,425)
C13H10N4O

>  <MolWeight> (1,425)
238.2447

>  <Cat> (1,425)
P3509

>  <Name> (1,425)
WAY-648936

>  <Synonyms> (1,425)
N/A

>  <Target> (1,425)
CDK

>  <Form> (1,425)
free base

>  <CAS> (1,425)
796888-73-8

>  <URL> (1,425)
N/A

$$$$
WAY-649123
csChFnd80/01132110042D

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free base

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801244-46-2

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N/A

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WL-300778
csChFnd80/01132110042D

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802980-14-9

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N/A

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WAY-333175
csChFnd80/01132110042D

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75620-25-6

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N/A

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WAY-333184
csChFnd80/01132110042D

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WAY-643018
csChFnd80/01132110042D

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CDK

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677701-62-1

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N/A

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WAY-332616
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>  <URL> (1,431)
N/A

$$$$
WAY-332647
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,432)
1660

>  <Formula> (1,432)
C19H21NO3S

>  <MolWeight> (1,432)
343.43994

>  <Cat> (1,432)
P3767

>  <Name> (1,432)
WAY-332647

>  <Synonyms> (1,432)
N/A

>  <Target> (1,432)
pyruvate kinase

>  <Form> (1,432)
free base

>  <CAS> (1,432)
902516-53-4

>  <URL> (1,432)
N/A

$$$$
WAY-624704
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,433)
1661

>  <Formula> (1,433)
C17H15N3O2S

>  <MolWeight> (1,433)
325.3849

>  <Cat> (1,433)
P3766

>  <Name> (1,433)
WAY-624704

>  <Synonyms> (1,433)
N/A

>  <Target> (1,433)
ROCK

>  <Form> (1,433)
free base

>  <CAS> (1,433)
692869-38-8

>  <URL> (1,433)
N/A

$$$$
WAY-625135
csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 17 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,434)
1662

>  <Formula> (1,434)
C14H12N2O3S

>  <MolWeight> (1,434)
288.32168

>  <Cat> (1,434)
P3707

>  <Name> (1,434)
WAY-625135

>  <Synonyms> (1,434)
N/A

>  <Target> (1,434)
Casein kinase 1¦Ä

>  <Form> (1,434)
free base

>  <CAS> (1,434)
756865-45-9

>  <URL> (1,434)
N/A

$$$$
WAY-626309
csChFnd80/01132110042D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,435)
1663

>  <Formula> (1,435)
C19H16N2O2S

>  <MolWeight> (1,435)
336.40754

>  <Cat> (1,435)
P3765

>  <Name> (1,435)
WAY-626309

>  <Synonyms> (1,435)
N/A

>  <Target> (1,435)
c-Jun N-terminal kinase

>  <Form> (1,435)
free base

>  <CAS> (1,435)
756849-36-2

>  <URL> (1,435)
N/A

$$$$
WAY-646458
csChFnd80/01132110042D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,436)
1664

>  <Formula> (1,436)
C16H10N2O2

>  <MolWeight> (1,436)
262.2628

>  <Cat> (1,436)
P3706

>  <Name> (1,436)
WAY-646458

>  <Synonyms> (1,436)
N/A

>  <Target> (1,436)
Casein kinase 1d

>  <Form> (1,436)
free base

>  <CAS> (1,436)
852413-92-4

>  <URL> (1,436)
N/A

$$$$
WAY-313318
csChFnd80/01132110042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
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  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,437)
1665

>  <Formula> (1,437)
C13H10Cl2N4

>  <MolWeight> (1,437)
293.1513

>  <Cat> (1,437)
P3734

>  <Name> (1,437)
WAY-313318

>  <Synonyms> (1,437)
N/A

>  <Target> (1,437)
RSK2

>  <Form> (1,437)
free base

>  <CAS> (1,437)
351993-88-9

>  <URL> (1,437)
N/A

$$$$
WAY-239448
csChFnd80/01132110042D

 15 17  0  0  0  0  0  0  0  0999 V2000
    5.8361    1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
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  5  1  1  0  0  0  0
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  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
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  3  4  2  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,438)
1666

>  <Formula> (1,438)
C11H12N2S2

>  <MolWeight> (1,438)
236.35638

>  <Cat> (1,438)
P3683

>  <Name> (1,438)
WAY-239448

>  <Synonyms> (1,438)
N/A

>  <Target> (1,438)
CK2,Anti-infection

>  <Form> (1,438)
free base

>  <CAS> (1,438)
314260-78-1

>  <URL> (1,438)
N/A

$$$$
WAY-299562
csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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   -0.2931    0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
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  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,439)
1667

>  <Formula> (1,439)
C16H13NO3

>  <MolWeight> (1,439)
267.27932

>  <Cat> (1,439)
P3698

>  <Name> (1,439)
WAY-299562

>  <Synonyms> (1,439)
N/A

>  <Target> (1,439)
PKA,AKAP

>  <Form> (1,439)
free base

>  <CAS> (1,439)
299934-88-6

>  <URL> (1,439)
N/A

$$$$
WAY-300507
csChFnd80/01132110042D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   -4.5187    1.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11 18  1  0  0  0  0
 12 11  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20  9  1  0  0  0  0
 21 19  2  0  0  0  0
 22 14  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  1  0  0  0  0
 14 21  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,440)
1668

>  <Formula> (1,440)
C18H15NO3S2

>  <MolWeight> (1,440)
357.4466

>  <Cat> (1,440)
P3774

>  <Name> (1,440)
WAY-300507

>  <Synonyms> (1,440)
N/A

>  <Target> (1,440)
beta-catenin,MKK4

>  <Form> (1,440)
free base

>  <CAS> (1,440)
301688-74-4

>  <URL> (1,440)
N/A

$$$$
WAY-301524-A
csChFnd80/01132110042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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   -0.8069    2.2414    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
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,441)
1669

>  <Formula> (1,441)
C15H13N3O2S

>  <MolWeight> (1,441)
299.34762

>  <Cat> (1,441)
P3725

>  <Name> (1,441)
WAY-301524-A

>  <Synonyms> (1,441)
N/A

>  <Target> (1,441)
CK2

>  <Form> (1,441)
free base

>  <CAS> (1,441)
474263-21-3

>  <URL> (1,441)
N/A

$$$$
WAY-301527
csChFnd80/01132110042D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.4788   -1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2212   -1.9693    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,442)
1670

>  <Formula> (1,442)
C16H15N3O2S

>  <MolWeight> (1,442)
313.3742

>  <Cat> (1,442)
P3747

>  <Name> (1,442)
WAY-301527

>  <Synonyms> (1,442)
N/A

>  <Target> (1,442)
Casein Kinase

>  <Form> (1,442)
free base

>  <CAS> (1,442)
315682-22-5

>  <URL> (1,442)
N/A

$$$$
WAY-388756
csChFnd80/01132110042D

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WAY-310410
csChFnd80/01132110042D

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WAY-297152
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WAY-297174
csChFnd80/01132110042D

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WAY-297674
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WAY-298630
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P3754

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WAY-298630

>  <Synonyms> (1,448)
N/A

>  <Target> (1,448)
PDK1

>  <Form> (1,448)
free base

>  <CAS> (1,448)
303134-93-2

>  <URL> (1,448)
N/A

$$$$
WAY-299017
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,449)
1677

>  <Formula> (1,449)
C17H14N2O3

>  <MolWeight> (1,449)
294.30466

>  <Cat> (1,449)
P3730

>  <Name> (1,449)
WAY-299017

>  <Synonyms> (1,449)
N/A

>  <Target> (1,449)
PI3Ka

>  <Form> (1,449)
free base

>  <CAS> (1,449)
300803-79-6

>  <URL> (1,449)
N/A

$$$$
WAY-299359
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,450)
1678

>  <Formula> (1,450)
C14H18N2O3S

>  <MolWeight> (1,450)
294.36932

>  <Cat> (1,450)
P3729

>  <Name> (1,450)
WAY-299359

>  <Synonyms> (1,450)
N/A

>  <Target> (1,450)
FLT3, Tubulin

>  <Form> (1,450)
free base

>  <CAS> (1,450)
1005057-81-7

>  <URL> (1,450)
N/A

$$$$
WAY-117443
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,451)
1679

>  <Formula> (1,451)
C19H18O5

>  <MolWeight> (1,451)
326.34322

>  <Cat> (1,451)
P3752

>  <Name> (1,451)
WAY-117443

>  <Synonyms> (1,451)
N/A

>  <Target> (1,451)
GRK6,DOPA decarboxylase

>  <Form> (1,451)
free base

>  <CAS> (1,451)
1164562-43-9

>  <URL> (1,451)
N/A

$$$$
WAY-304191
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,452)
1680

>  <Formula> (1,452)
C18H25NO2

>  <MolWeight> (1,452)
287.3966

>  <Cat> (1,452)
P3745

>  <Name> (1,452)
WAY-304191

>  <Synonyms> (1,452)
N/A

>  <Target> (1,452)
FLT3 receptor

>  <Form> (1,452)
free base

>  <CAS> (1,452)
510724-22-8

>  <URL> (1,452)
N/A

$$$$
WAY-226683
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,453)
1681

>  <Formula> (1,453)
C14H14N2O3

>  <MolWeight> (1,453)
258.27256

>  <Cat> (1,453)
P3697

>  <Name> (1,453)
WAY-226683

>  <Synonyms> (1,453)
N/A

>  <Target> (1,453)
Rho

>  <Form> (1,453)
free base

>  <CAS> (1,453)
309736-94-5

>  <URL> (1,453)
N/A

$$$$
WAY-306955
csChFnd80/01132110042D

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p38a MAPK

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free base

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315703-48-1

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N/A

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WAY-352121
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FLT3, Tubulin

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free base

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484677-02-3

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N/A

$$$$
WAY-380153
csChFnd80/01132110042D

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363160-12-7

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N/A

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WAY-311474
csChFnd80/01132110042D

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MtSk

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free base

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569313-77-5

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N/A

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WAY-312858
csChFnd80/01132110042D

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free base

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N/A

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WAY-278705
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WAY-663387
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WAY-644841
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WAY-273339
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N/A

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WAY-277364
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WAY-337530
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WAY-337532
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332939-49-8

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N/A

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WAY-628644
csChFnd80/01132110042D

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377760-40-2

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N/A

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WAY-270250
csChFnd80/01132110042D

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852367-46-5

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N/A

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WAY-270252
csChFnd80/01132110042D

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N/A

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WAY-271127
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MtSk

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500149-26-8

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N/A

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WAY-615145
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glucokinase

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free base

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536736-95-5

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N/A

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WAY-613982
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M  END
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C11H12N2OS2

>  <MolWeight> (1,471)
252.35578

>  <Cat> (1,471)
P3686

>  <Name> (1,471)
WAY-613982

>  <Synonyms> (1,471)
N/A

>  <Target> (1,471)
CK2

>  <Form> (1,471)
free base

>  <CAS> (1,471)
330449-39-3

>  <URL> (1,471)
N/A

$$$$
WAY-650334
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,472)
1700

>  <Formula> (1,472)
C12H12N2O3

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232.23528

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P3681

>  <Name> (1,472)
WAY-650334

>  <Synonyms> (1,472)
N/A

>  <Target> (1,472)
MAP2K4

>  <Form> (1,472)
free base

>  <CAS> (1,472)
847773-02-8

>  <URL> (1,472)
N/A

$$$$
GI-570482
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,473)
1701

>  <Formula> (1,473)
C13H14N2O3S

>  <MolWeight> (1,473)
278.32686

>  <Cat> (1,473)
P3703

>  <Name> (1,473)
GI-570482

>  <Synonyms> (1,473)
N/A

>  <Target> (1,473)
ExoS ADPRT,MET,USP14

>  <Form> (1,473)
free base

>  <CAS> (1,473)
109164-47-8

>  <URL> (1,473)
N/A

$$$$
WAY-272160
csChFnd80/01132110042D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,474)
1702

>  <Formula> (1,474)
C18H13ClN2O3

>  <MolWeight> (1,474)
340.76042

>  <Cat> (1,474)
P3737

>  <Name> (1,474)
WAY-272160

>  <Synonyms> (1,474)
N/A

>  <Target> (1,474)
 topoisomerase II,HER2

>  <Form> (1,474)
free base

>  <CAS> (1,474)
489413-54-9

>  <URL> (1,474)
N/A

$$$$
WAY-320461
csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,475)
1703

>  <Formula> (1,475)
C15H10BrN3O2S

>  <MolWeight> (1,475)
376.2278

>  <Cat> (1,475)
P3760

>  <Name> (1,475)
WAY-320461

>  <Synonyms> (1,475)
N/A

>  <Target> (1,475)
FAK

>  <Form> (1,475)
free base

>  <CAS> (1,475)
491839-65-7

>  <URL> (1,475)
N/A

$$$$
WAY-603392
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,476)
1704

>  <Formula> (1,476)
C11H16N2O3S

>  <MolWeight> (1,476)
256.32134

>  <Cat> (1,476)
P3685

>  <Name> (1,476)
WAY-603392

>  <Synonyms> (1,476)
N/A

>  <Target> (1,476)
AKT(PKB) phosphorylation,ion channel

>  <Form> (1,476)
free base

>  <CAS> (1,476)
329906-01-6

>  <URL> (1,476)
N/A

$$$$
WAY-321341
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,477)
1705

>  <Formula> (1,477)
C24H22N4O

>  <MolWeight> (1,477)
382.45768

>  <Cat> (1,477)
P3759

>  <Name> (1,477)
WAY-321341

>  <Synonyms> (1,477)
N/A

>  <Target> (1,477)
SYK,Immunology & Inflammation related

>  <Form> (1,477)
free base

>  <CAS> (1,477)
314027-66-2

>  <URL> (1,477)
N/A

$$$$
WAY-322243
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,478)
1706

>  <Formula> (1,478)
C18H18N2O2S

>  <MolWeight> (1,478)
326.41272

>  <Cat> (1,478)
P3736

>  <Name> (1,478)
WAY-322243

>  <Synonyms> (1,478)
N/A

>  <Target> (1,478)
CLK-1

>  <Form> (1,478)
free base

>  <CAS> (1,478)
332939-32-9

>  <URL> (1,478)
N/A

$$$$
WAY-322475
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,479)
1707

>  <Formula> (1,479)
C15H15N5

>  <MolWeight> (1,479)
265.3131

>  <Cat> (1,479)
P3691

>  <Name> (1,479)
WAY-322475

>  <Synonyms> (1,479)
N/A

>  <Target> (1,479)
GRK6,SUMOylation

>  <Form> (1,479)
free base

>  <CAS> (1,479)
300731-73-1

>  <URL> (1,479)
N/A

$$$$
WAY-313218
csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,480)
1322

>  <Formula> (1,480)
C19H20FNO

>  <MolWeight> (1,480)
297.3666032

>  <Cat> (1,480)
P3321

>  <Name> (1,480)
WAY-313218

>  <Synonyms> (1,480)
N/A

>  <Target> (1,480)
11¦Â-HSD1 

>  <Form> (1,480)
free base

>  <CAS> (1,480)
260428-69-1

>  <URL> (1,480)
N/A

$$$$
WAY-313013
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,481)
1323

>  <Formula> (1,481)
C12H14BrNO2

>  <MolWeight> (1,481)
284.14906

>  <Cat> (1,481)
P3319

>  <Name> (1,481)
WAY-313013

>  <Synonyms> (1,481)
N/A

>  <Target> (1,481)
p38,histamine-3 (H3) receptor

>  <Form> (1,481)
free base

>  <CAS> (1,481)
326898-76-4

>  <URL> (1,481)
N/A

$$$$
GI-560708
csChFnd80/01132110042D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,482)
1324

>  <Formula> (1,482)
C20H18N4O2

>  <MolWeight> (1,482)
346.38252

>  <Cat> (1,482)
P3258

>  <Name> (1,482)
GI-560708

>  <Synonyms> (1,482)
N/A

>  <Target> (1,482)
BCR-ABL 

>  <Form> (1,482)
free base

>  <CAS> (1,482)
2362-25-6

>  <URL> (1,482)
N/A

$$$$
WAY-345438
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,483)
1325

>  <Formula> (1,483)
C24H19N3O2S

>  <MolWeight> (1,483)
413.49156

>  <Cat> (1,483)
P3390

>  <Name> (1,483)
WAY-345438

>  <Synonyms> (1,483)
N/A

>  <Target> (1,483)
Casein kinase 1¦Ä

>  <Form> (1,483)
free base

>  <CAS> (1,483)
571174-12-4

>  <URL> (1,483)
N/A

$$$$
WAY-311066
csChFnd80/01132110042D

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  1  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,484)
1326

>  <Formula> (1,484)
C21H17N3O3

>  <MolWeight> (1,484)
359.37798

>  <Cat> (1,484)
P3314

>  <Name> (1,484)
WAY-311066

>  <Synonyms> (1,484)
N/A

>  <Target> (1,484)
Casein kinase 1¦Ä

>  <Form> (1,484)
free base

>  <CAS> (1,484)
332074-85-8

>  <URL> (1,484)
N/A

$$$$
WAY-312567
csChFnd80/01132110042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,485)
1327

>  <Formula> (1,485)
C16H20N2O2S

>  <MolWeight> (1,485)
304.4072

>  <Cat> (1,485)
P3317

>  <Name> (1,485)
WAY-312567

>  <Synonyms> (1,485)
N/A

>  <Target> (1,485)
Anti-infection

>  <Form> (1,485)
free base

>  <CAS> (1,485)
330955-59-4

>  <URL> (1,485)
N/A

$$$$
WAY-312157
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,486)
1328

>  <Formula> (1,486)
C14H18N2O2S

>  <MolWeight> (1,486)
278.36992

>  <Cat> (1,486)
P3316

>  <Name> (1,486)
WAY-312157

>  <Synonyms> (1,486)
N/A

>  <Target> (1,486)
ATP-utilizing enzyme

>  <Form> (1,486)
free base

>  <CAS> (1,486)
354544-70-0

>  <URL> (1,486)
N/A

$$$$
WAY-114228
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,487)
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>  <Formula> (1,487)
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>  <MolWeight> (1,487)
305.41342

>  <Cat> (1,487)
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>  <Name> (1,487)
WAY-114228

>  <Synonyms> (1,487)
N/A

>  <Target> (1,487)
MEK1

>  <Form> (1,487)
free base

>  <CAS> (1,487)
333325-96-5

>  <URL> (1,487)
N/A

$$$$
WAY-239320
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,488)
1330

>  <Formula> (1,488)
C22H21N3O4

>  <MolWeight> (1,488)
391.41984

>  <Cat> (1,488)
P3268

>  <Name> (1,488)
WAY-239320

>  <Synonyms> (1,488)
N/A

>  <Target> (1,488)
Chk1,Aurora kinase,Adenosine Kinase

>  <Form> (1,488)
free base

>  <CAS> (1,488)
378775-98-5

>  <URL> (1,488)
N/A

$$$$
WAY-248134
csChFnd80/01132110042D

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1331

>  <Formula> (1,489)
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>  <MolWeight> (1,489)
221.27884

>  <Cat> (1,489)
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>  <Name> (1,489)
WAY-248134

>  <Synonyms> (1,489)
N/A

>  <Target> (1,489)
LIMK1£¬IKK¦Â

>  <Form> (1,489)
free base

>  <CAS> (1,489)
67795-42-0

>  <URL> (1,489)
N/A

$$$$
WAY-296817
csChFnd80/01132110042D

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1332

>  <Formula> (1,490)
C17H16N2O3S

>  <MolWeight> (1,490)
328.38554

>  <Cat> (1,490)
P3296

>  <Name> (1,490)
WAY-296817

>  <Synonyms> (1,490)
N/A

>  <Target> (1,490)
casein kinase 1

>  <Form> (1,490)
free base

>  <CAS> (1,490)
349438-74-0

>  <URL> (1,490)
N/A

$$$$
WAY-296818
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,491)
1333

>  <Formula> (1,491)
C17H16N2O2S

>  <MolWeight> (1,491)
312.38614

>  <Cat> (1,491)
P3297

>  <Name> (1,491)
WAY-296818

>  <Synonyms> (1,491)
N/A

>  <Target> (1,491)
casein kinase 1

>  <Form> (1,491)
free base

>  <CAS> (1,491)
349438-77-3

>  <URL> (1,491)
N/A

$$$$
WAY-635764
csChFnd80/01132110042D

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>  <Mol_ID> (1,492)
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>  <Formula> (1,492)
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>  <Name> (1,492)
WAY-635764

>  <Synonyms> (1,492)
N/A

>  <Target> (1,492)
Aurora kinase A

>  <Form> (1,492)
free base

>  <CAS> (1,492)
790267-88-8

>  <URL> (1,492)
N/A

$$$$
WAY-271146
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,493)
1335

>  <Formula> (1,493)
C16H9N3O3

>  <MolWeight> (1,493)
291.26096

>  <Cat> (1,493)
P3280

>  <Name> (1,493)
WAY-271146

>  <Synonyms> (1,493)
N/A

>  <Target> (1,493)
VEGFR

>  <Form> (1,493)
free base

>  <CAS> (1,493)
683235-33-8

>  <URL> (1,493)
N/A

$$$$
WAY-271147
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,494)
1336

>  <Formula> (1,494)
C17H12N2O4

>  <MolWeight> (1,494)
308.28818

>  <Cat> (1,494)
P3281

>  <Name> (1,494)
WAY-271147

>  <Synonyms> (1,494)
N/A

>  <Target> (1,494)
VEGFR

>  <Form> (1,494)
free base

>  <CAS> (1,494)
683235-34-9

>  <URL> (1,494)
N/A

$$$$
WAY-600632
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,495)
1337

>  <Formula> (1,495)
C14H9N3O2S2

>  <MolWeight> (1,495)
315.37016

>  <Cat> (1,495)
P3423

>  <Name> (1,495)
WAY-600632

>  <Synonyms> (1,495)
N/A

>  <Target> (1,495)
Casein kinase 1¦Ä

>  <Form> (1,495)
free base

>  <CAS> (1,495)
438018-70-3

>  <URL> (1,495)
N/A

$$$$
WAY-601258
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,496)
1338

>  <Formula> (1,496)
C13H12N4OS2

>  <MolWeight> (1,496)
304.39058

>  <Cat> (1,496)
P3428

>  <Name> (1,496)
WAY-601258

>  <Synonyms> (1,496)
N/A

>  <Target> (1,496)
Anti-infection

>  <Form> (1,496)
free base

>  <CAS> (1,496)
496023-52-0

>  <URL> (1,496)
N/A

$$$$
WAY-601323
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,497)
1339

>  <Formula> (1,497)
C16H18N4O2

>  <MolWeight> (1,497)
298.33972

>  <Cat> (1,497)
P3429

>  <Name> (1,497)
WAY-601323

>  <Synonyms> (1,497)
N/A

>  <Target> (1,497)
CDK9 

>  <Form> (1,497)
free base

>  <CAS> (1,497)
324778-48-5

>  <URL> (1,497)
N/A

$$$$
WAY-600704-A
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,498)
1340

>  <Formula> (1,498)
C17H22N2O

>  <MolWeight> (1,498)
270.36938

>  <Cat> (1,498)
P3424

>  <Name> (1,498)
WAY-600704

>  <Synonyms> (1,498)
N/A

>  <Target> (1,498)
ethanolamine kinase

>  <Form> (1,498)
free base

>  <CAS> (1,498)
301330-94-9

>  <URL> (1,498)
N/A

$$$$
WAY-600868
csChFnd80/01132110042D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,499)
1341

>  <Formula> (1,499)
C13H9FN2S

>  <MolWeight> (1,499)
244.2873632

>  <Cat> (1,499)
P3425

>  <Name> (1,499)
WAY-600868

>  <Synonyms> (1,499)
N/A

>  <Target> (1,499)
FGFR3

>  <Form> (1,499)
free base

>  <CAS> (1,499)
348-45-8

>  <URL> (1,499)
N/A

$$$$
CL-104773
csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,500)
1342

>  <Formula> (1,500)
C17H14N2O

>  <MolWeight> (1,500)
262.30586

>  <Cat> (1,500)
P3253

>  <Name> (1,500)
CL-104773

>  <Synonyms> (1,500)
N/A

>  <Target> (1,500)
TLR, JAK2, fatty acid amide hydrolase

>  <Form> (1,500)
free base

>  <CAS> (1,500)
802980-92-3

>  <URL> (1,500)
N/A

$$$$
WAY-269040
csChFnd80/01132110042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,501)
1343

>  <Formula> (1,501)
C20H23N3OS

>  <MolWeight> (1,501)
353.48112

>  <Cat> (1,501)
P3271

>  <Name> (1,501)
WAY-269040

>  <Synonyms> (1,501)
N/A

>  <Target> (1,501)
Anti-infection

>  <Form> (1,501)
free base

>  <CAS> (1,501)
846065-09-6

>  <URL> (1,501)
N/A

$$$$
WAY-339696
csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
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 16  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,502)
1344

>  <Formula> (1,502)
C16H11BrN2O3

>  <MolWeight> (1,502)
359.17414

>  <Cat> (1,502)
P3388

>  <Name> (1,502)
WAY-339696

>  <Synonyms> (1,502)
N/A

>  <Target> (1,502)
 EGFR-T790M/L858R

>  <Form> (1,502)
free base

>  <CAS> (1,502)
333419-97-9

>  <URL> (1,502)
N/A

$$$$
WAY-349290
csChFnd80/01132110042D

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>  <Synonyms> (1,503)
N/A

>  <Target> (1,503)
Pim,MCH receptor

>  <Form> (1,503)
free base

>  <CAS> (1,503)
215928-66-8

>  <URL> (1,503)
N/A

$$$$
WAY-613473
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,504)
1346

>  <Formula> (1,504)
C20H16N4O3S

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>  <Synonyms> (1,504)
N/A

>  <Target> (1,504)
HIV,JAK-2,PI3K

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free base

>  <CAS> (1,504)
301357-74-4

>  <URL> (1,504)
N/A

$$$$
WAY-613991
csChFnd80/01132110042D

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>  <Mol_ID> (1,505)
1347

>  <Formula> (1,505)
C23H17N3O4

>  <MolWeight> (1,505)
399.39878

>  <Cat> (1,505)
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>  <Name> (1,505)
WAY-613991

>  <Synonyms> (1,505)
N/A

>  <Target> (1,505)
Casein kinase 1d

>  <Form> (1,505)
free base

>  <CAS> (1,505)
565167-37-5

>  <URL> (1,505)
N/A

$$$$
WAY-630998
csChFnd80/01132110042D

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>  <Formula> (1,506)
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>  <MolWeight> (1,506)
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>  <Cat> (1,506)
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>  <Name> (1,506)
WAY-630998

>  <Synonyms> (1,506)
N/A

>  <Target> (1,506)
p38a

>  <Form> (1,506)
free base

>  <CAS> (1,506)
251106-30-6

>  <URL> (1,506)
N/A

$$$$
WAY-631127
csChFnd80/01132110042D

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 12 10  2  0  0  0  0
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M  END
>  <Mol_ID> (1,507)
1349

>  <Formula> (1,507)
C24H18ClN3O3

>  <MolWeight> (1,507)
431.87102

>  <Cat> (1,507)
P3472

>  <Name> (1,507)
WAY-631127

>  <Synonyms> (1,507)
N/A

>  <Target> (1,507)
Casein kinase 1¦Ä

>  <Form> (1,507)
free base

>  <CAS> (1,507)
756849-12-4

>  <URL> (1,507)
N/A

$$$$
WAY-631545
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,508)
1350

>  <Formula> (1,508)
C12H6ClFN2S

>  <MolWeight> (1,508)
264.7058432

>  <Cat> (1,508)
P3473

>  <Name> (1,508)
WAY-631545

>  <Synonyms> (1,508)
N/A

>  <Target> (1,508)
others

>  <Form> (1,508)
free base

>  <CAS> (1,508)
681260-56-0

>  <URL> (1,508)
N/A

$$$$
WAY-632021
csChFnd80/01132110042D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  8  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,509)
1351

>  <Formula> (1,509)
C13H10ClN3S

>  <MolWeight> (1,509)
275.7566

>  <Cat> (1,509)
P3474

>  <Name> (1,509)
WAY-632021

>  <Synonyms> (1,509)
N/A

>  <Target> (1,509)
TIE-2,Raf,phosphodiesterase V

>  <Form> (1,509)
free base

>  <CAS> (1,509)
742094-64-0

>  <URL> (1,509)
N/A

$$$$
WAY-632323
csChFnd80/01132110042D

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 10 15  1  0  0  0  0
 11  2  1  0  0  0  0
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 13  7  1  0  0  0  0
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  3  4  1  0  0  0  0
 21 16  1  0  0  0  0
  7  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,510)
1352

>  <Formula> (1,510)
C18H15N5S2

>  <MolWeight> (1,510)
365.4752

>  <Cat> (1,510)
P3475

>  <Name> (1,510)
WAY-632323

>  <Synonyms> (1,510)
N/A

>  <Target> (1,510)
Casein kinase 1¦Ä

>  <Form> (1,510)
free base

>  <CAS> (1,510)
782457-22-1

>  <URL> (1,510)
N/A

$$$$
WAY-650313
csChFnd80/01132110042D

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 10  6  1  0  0  0  0
 11  5  2  0  0  0  0
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M  END
>  <Mol_ID> (1,511)
1353

>  <Formula> (1,511)
C23H18FN3O

>  <MolWeight> (1,511)
371.4069232

>  <Cat> (1,511)
P3511

>  <Name> (1,511)
WAY-650313

>  <Synonyms> (1,511)
N/A

>  <Target> (1,511)
Casein kinase 1¦Ä

>  <Form> (1,511)
free base

>  <CAS> (1,511)
847772-08-1

>  <URL> (1,511)
N/A

$$$$
WAY-650886
csChFnd80/01132110042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,512)
1354

>  <Formula> (1,512)
C19H16N4O2

>  <MolWeight> (1,512)
332.35594

>  <Cat> (1,512)
P3512

>  <Name> (1,512)
WAY-650886

>  <Synonyms> (1,512)
N/A

>  <Target> (1,512)
Casein kinase 1¦Ä

>  <Form> (1,512)
free base

>  <CAS> (1,512)
848066-61-5

>  <URL> (1,512)
N/A

$$$$
WAY-651445
csChFnd80/01132110042D

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C18H13N3O2S

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WAY-651445

>  <Synonyms> (1,513)
N/A

>  <Target> (1,513)
LIMK1£¬IkB

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free base

>  <CAS> (1,513)
848289-47-4

>  <URL> (1,513)
N/A

$$$$
GI-555736
csChFnd80/01132110042D

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>  <Mol_ID> (1,514)
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>  <Synonyms> (1,514)
N/A

>  <Target> (1,514)
PDGFR

>  <Form> (1,514)
free base

>  <CAS> (1,514)
848342-16-5

>  <URL> (1,514)
N/A

$$$$
WAY-270318
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,515)
1357

>  <Formula> (1,515)
C14H14N4OS

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286.35216

>  <Cat> (1,515)
P3272

>  <Name> (1,515)
WAY-270318

>  <Synonyms> (1,515)
N/A

>  <Target> (1,515)
protein kinase

>  <Form> (1,515)
free base

>  <CAS> (1,515)
721964-48-3

>  <URL> (1,515)
N/A

$$$$
WAY-270329
csChFnd80/01132110042D

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>  <Mol_ID> (1,516)
1358

>  <Formula> (1,516)
C21H18FN5O2S

>  <MolWeight> (1,516)
423.4633232

>  <Cat> (1,516)
P3273

>  <Name> (1,516)
WAY-270329

>  <Synonyms> (1,516)
N/A

>  <Target> (1,516)
protein kinase

>  <Form> (1,516)
free base

>  <CAS> (1,516)
721964-51-8

>  <URL> (1,516)
N/A

$$$$
WAY-270382
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,517)
1359

>  <Formula> (1,517)
C16H10N2O3S2

>  <MolWeight> (1,517)
342.3922

>  <Cat> (1,517)
P3274

>  <Name> (1,517)
WAY-270382

>  <Synonyms> (1,517)
N/A

>  <Target> (1,517)
Metallo-b-lactamase,ASK1

>  <Form> (1,517)
free base

>  <CAS> (1,517)
1427537-93-6

>  <URL> (1,517)
N/A

$$$$
WAY-270444
csChFnd80/01132110042D

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>  <Synonyms> (1,518)
N/A

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free base

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394237-61-7

>  <URL> (1,518)
N/A

$$$$
WAY-270599
csChFnd80/01132110042D

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>  <Mol_ID> (1,519)
1361

>  <Formula> (1,519)
C17H11ClN2O4S

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374.79824

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P3276

>  <Name> (1,519)
WAY-270599

>  <Synonyms> (1,519)
N/A

>  <Target> (1,519)
FGFR1,TNFa

>  <Form> (1,519)
free base

>  <CAS> (1,519)
397281-20-8

>  <URL> (1,519)
N/A

$$$$
WAY-270947
csChFnd80/01132110042D

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>  <Formula> (1,520)
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>  <MolWeight> (1,520)
412.24336

>  <Cat> (1,520)
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>  <Name> (1,520)
WAY-270947

>  <Synonyms> (1,520)
N/A

>  <Target> (1,520)
ALK5

>  <Form> (1,520)
free base

>  <CAS> (1,520)
1198579-20-2

>  <URL> (1,520)
N/A

$$$$
WAY-270966
csChFnd80/01132110042D

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>  <Formula> (1,521)
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>  <MolWeight> (1,521)
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>  <Cat> (1,521)
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>  <Name> (1,521)
WAY-270966

>  <Synonyms> (1,521)
N/A

>  <Target> (1,521)
p38

>  <Form> (1,521)
free base

>  <CAS> (1,521)
421578-44-1

>  <URL> (1,521)
N/A

$$$$
WAY-270968
csChFnd80/01132110042D

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1364

>  <Formula> (1,522)
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>  <MolWeight> (1,522)
332.4156232

>  <Cat> (1,522)
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>  <Name> (1,522)
WAY-270968

>  <Synonyms> (1,522)
N/A

>  <Target> (1,522)
p38

>  <Form> (1,522)
free base

>  <CAS> (1,522)
421578-46-3

>  <URL> (1,522)
N/A

$$$$
WAY-320509
csChFnd80/01132110042D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    1.2169   -1.8483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7790   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5411    0.6414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7411   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831    2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928    2.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2210   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -1.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5382    2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7693   -2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2486   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382    3.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  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  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
 16 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,523)
1365

>  <Formula> (1,523)
C18H17N3O2S

>  <MolWeight> (1,523)
339.41148

>  <Cat> (1,523)
P3327

>  <Name> (1,523)
WAY-320509

>  <Synonyms> (1,523)
N/A

>  <Target> (1,523)
Anti-infection,CDK8

>  <Form> (1,523)
free base

>  <CAS> (1,523)
314035-54-6

>  <URL> (1,523)
N/A

$$$$
WAY-320049
csChFnd80/01132110042D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    2.5268   -0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7716    1.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7284   -0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7560   -2.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7284    1.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8337   -0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3973    0.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7042    0.1569    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
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 17  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,524)
1366

>  <Formula> (1,524)
C13H17NO3S

>  <MolWeight> (1,524)
267.34398

>  <Cat> (1,524)
P3323

>  <Name> (1,524)
WAY-320049

>  <Synonyms> (1,524)
N/A

>  <Target> (1,524)
others

>  <Form> (1,524)
free base

>  <CAS> (1,524)
298193-11-0

>  <URL> (1,524)
N/A

$$$$
WAY-320080
csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.5138   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4035    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5172   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1311   -2.6971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5656    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414    1.2236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5689   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  9  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,525)
1367

>  <Formula> (1,525)
C14H13N3O2S

>  <MolWeight> (1,525)
287.33692

>  <Cat> (1,525)
P3324

>  <Name> (1,525)
WAY-320080

>  <Synonyms> (1,525)
N/A

>  <Target> (1,525)
glucokinase,heat shock protein 90

>  <Form> (1,525)
free base

>  <CAS> (1,525)
349549-38-8

>  <URL> (1,525)
N/A

$$$$
WAY-320081
csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.8747   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9437   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5563    0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2781   -2.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6253    1.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8023    0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5023    0.0659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3333    1.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,526)
1368

>  <Formula> (1,526)
C14H13N3O2S

>  <MolWeight> (1,526)
287.33692

>  <Cat> (1,526)
P3325

>  <Name> (1,526)
WAY-320081

>  <Synonyms> (1,526)
N/A

>  <Target> (1,526)
glucokinase,heat shock protein 90

>  <Form> (1,526)
free base

>  <CAS> (1,526)
66780-67-4

>  <URL> (1,526)
N/A

$$$$
WAY-602219
csChFnd80/01132110042D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9125    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1833   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.1417    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
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14 12  2  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
  6  8  2  0  0  0  0
 11  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,527)
1369

>  <Formula> (1,527)
C14H12N2O3S2

>  <MolWeight> (1,527)
320.38668

>  <Cat> (1,527)
P3430

>  <Name> (1,527)
WAY-602219

>  <Synonyms> (1,527)
N/A

>  <Target> (1,527)
Trypanosoma brucei hexokinase 

>  <Form> (1,527)
free base

>  <CAS> (1,527)
378197-09-2

>  <URL> (1,527)
N/A

$$$$
WAY-602746
csChFnd80/01132110042D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0292   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,528)
1370

>  <Formula> (1,528)
C20H16N4O

>  <MolWeight> (1,528)
328.36724

>  <Cat> (1,528)
P3431

>  <Name> (1,528)
WAY-602746

>  <Synonyms> (1,528)
N/A

>  <Target> (1,528)
ROS 

>  <Form> (1,528)
free base

>  <CAS> (1,528)
370096-57-4

>  <URL> (1,528)
N/A

$$$$
WAY-603264
csChFnd80/01132110042D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,529)
1371

>  <Formula> (1,529)
C8H12N2OS

>  <MolWeight> (1,529)
184.25868

>  <Cat> (1,529)
P3432

>  <Name> (1,529)
WAY-603264

>  <Synonyms> (1,529)
N/A

>  <Target> (1,529)
adenosine kinase

>  <Form> (1,529)
free base

>  <CAS> (1,529)
58350-40-6

>  <URL> (1,529)
N/A

$$$$
WAY-603359
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,530)
1372

>  <Formula> (1,530)
C10H12ClN3O2

>  <MolWeight> (1,530)
241.67418

>  <Cat> (1,530)
P3433

>  <Name> (1,530)
WAY-603359

>  <Synonyms> (1,530)
N/A

>  <Target> (1,530)
p38

>  <Form> (1,530)
free base

>  <CAS> (1,530)
329268-90-8

>  <URL> (1,530)
N/A

$$$$
WAY-634931
csChFnd80/01132110042D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,531)
1373

>  <Formula> (1,531)
C10H14O2

>  <MolWeight> (1,531)
166.21696

>  <Cat> (1,531)
P3482

>  <Name> (1,531)
WAY-634931

>  <Synonyms> (1,531)
N/A

>  <Target> (1,531)
GSK3,ROR gamma,CETP,metabotropic glutamate r

>  <Form> (1,531)
free base

>  <CAS> (1,531)
82683-51-0

>  <URL> (1,531)
N/A

$$$$
WAY-634964
csChFnd80/01132110042D

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  2  1  1  0  0  0  0
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  5  7  1  0  0  0  0
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 11  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,532)
1374

>  <Formula> (1,532)
C9H7N3O2

>  <MolWeight> (1,532)
189.17078

>  <Cat> (1,532)
P3483

>  <Name> (1,532)
WAY-634964

>  <Synonyms> (1,532)
N/A

>  <Target> (1,532)
tyrosine kinase

>  <Form> (1,532)
free base

>  <CAS> (1,532)
157842-34-7

>  <URL> (1,532)
N/A

$$$$
WAY-634704
csChFnd80/01132110042D

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 10  1  1  0  0  0  0
 11  6  2  0  0  0  0
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 17  9  2  0  0  0  0
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 21  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,533)
1375

>  <Formula> (1,533)
C13H13ClN2O5S

>  <MolWeight> (1,533)
344.77072

>  <Cat> (1,533)
P3481

>  <Name> (1,533)
WAY-634704

>  <Synonyms> (1,533)
N/A

>  <Target> (1,533)
Aurora kinase A

>  <Form> (1,533)
free base

>  <CAS> (1,533)
781619-26-9

>  <URL> (1,533)
N/A

$$$$
WAY-635109
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,534)
1376

>  <Formula> (1,534)
C13H9N3O2S

>  <MolWeight> (1,534)
271.29446

>  <Cat> (1,534)
P3484

>  <Name> (1,534)
WAY-635109

>  <Synonyms> (1,534)
N/A

>  <Target> (1,534)
B-Raf

>  <Form> (1,534)
free base

>  <CAS> (1,534)
781622-25-1

>  <URL> (1,534)
N/A

$$$$
WAY-635114
csChFnd80/01132110042D

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N/A

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WAY-635319
csChFnd80/01132110042D

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N/A

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CDK

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free base

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763098-07-3

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N/A

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WAY-311677
csChFnd80/01132110042D

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N/A

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FAK

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free base

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19948-85-7

>  <URL> (1,537)
N/A

$$$$
CL-243214
csChFnd80/01132110042D

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free base

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333785-55-0

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N/A

$$$$
WAY-312187
csChFnd80/01132110042D

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N/A

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Pim-1

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free base

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1609385-99-0

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N/A

$$$$
WAY-230563
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>  <Target> (1,540)
serine/threonine kinase

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free base

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93326-70-6

>  <URL> (1,540)
N/A

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WAY-235142
csChFnd80/01132110042D

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>  <Synonyms> (1,541)
N/A

>  <Target> (1,541)
MtSk

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free base

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380550-28-7

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N/A

$$$$
WAY-311747
csChFnd80/01132110042D

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WAY-311747

>  <Synonyms> (1,542)
N/A

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MtSk

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free base

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381671-40-5

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N/A

$$$$
WAY-312484
csChFnd80/01132110042D

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EGFR

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free base

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91769-08-3

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N/A

$$$$
WAY-311753-A
csChFnd80/01132110042D

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>  <Formula> (1,544)
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WAY-311753-A

>  <Synonyms> (1,544)
N/A

>  <Target> (1,544)
tyrosine kinase

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free base

>  <CAS> (1,544)
345615-74-9

>  <URL> (1,544)
N/A

$$$$
WAY-310586-A
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,545)
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>  <Formula> (1,545)
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>  <MolWeight> (1,545)
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>  <Name> (1,545)
WAY-310586-A

>  <Synonyms> (1,545)
N/A

>  <Target> (1,545)
TAOK2

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free base

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315705-95-4

>  <URL> (1,545)
N/A

$$$$
WAY-115880
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,546)
1388

>  <Formula> (1,546)
C16H22N2O2S

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306.42308

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P3756

>  <Name> (1,546)
WAY-115880

>  <Synonyms> (1,546)
N/A

>  <Target> (1,546)
FLT3

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free base

>  <CAS> (1,546)
142995-02-6

>  <URL> (1,546)
N/A

$$$$
WAY-297848
csChFnd80/01132110042D

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>  <Mol_ID> (1,547)
1389

>  <Formula> (1,547)
C13H13ClN2O2S

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296.77252

>  <Cat> (1,547)
P3755

>  <Name> (1,547)
WAY-297848

>  <Synonyms> (1,547)
N/A

>  <Target> (1,547)
glucokinase

>  <Form> (1,547)
free base

>  <CAS> (1,547)
404360-27-6

>  <URL> (1,547)
N/A

$$$$
GI-568769
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,548)
1390

>  <Formula> (1,548)
C13H11ClN4

>  <MolWeight> (1,548)
258.70624

>  <Cat> (1,548)
P3689

>  <Name> (1,548)
GI-568769

>  <Synonyms> (1,548)
N/A

>  <Target> (1,548)
p90 Ribosomal S6 Protein Kinase 2

>  <Form> (1,548)
free base

>  <CAS> (1,548)
62001-32-5

>  <URL> (1,548)
N/A

$$$$
WAY-298129
csChFnd80/01132110042D

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>  <Mol_ID> (1,549)
1391

>  <Formula> (1,549)
C13H15NO2S

>  <MolWeight> (1,549)
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>  <Cat> (1,549)
P3688

>  <Name> (1,549)
WAY-298129

>  <Synonyms> (1,549)
N/A

>  <Target> (1,549)
CLK1,DYRK,CLK,CK1,RB,kinase,ENT1,CK1,DYRK1A,

>  <Form> (1,549)
free base

>  <CAS> (1,549)
719277-26-6

>  <URL> (1,549)
N/A

$$$$
WAY-299338
csChFnd80/01132110042D

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>  <Mol_ID> (1,550)
1392

>  <Formula> (1,550)
C17H16N2O3S

>  <MolWeight> (1,550)
328.38554

>  <Cat> (1,550)
P3775

>  <Name> (1,550)
WAY-299338

>  <Synonyms> (1,550)
N/A

>  <Target> (1,550)
PDK1

>  <Form> (1,550)
free base

>  <CAS> (1,550)
1005044-23-4

>  <URL> (1,550)
N/A

$$$$
WAY-322454
csChFnd80/01132110042D

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>  <Mol_ID> (1,551)
1393

>  <Formula> (1,551)
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>  <MolWeight> (1,551)
312.3663

>  <Cat> (1,551)
P3753

>  <Name> (1,551)
WAY-322454

>  <Synonyms> (1,551)
N/A

>  <Target> (1,551)
GRK6

>  <Form> (1,551)
free base

>  <CAS> (1,551)
1008244-02-7

>  <URL> (1,551)
N/A

$$$$
WAY-119064
csChFnd80/01132110042D

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C13H18N2O3S

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WAY-119064

>  <Synonyms> (1,552)
N/A

>  <Target> (1,552)
INK4C

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free base

>  <CAS> (1,552)
1198098-03-1

>  <URL> (1,552)
N/A

$$$$
WAY-215718
csChFnd80/01132110042D

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>  <Mol_ID> (1,553)
1395

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C14H19N3

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229.32076

>  <Cat> (1,553)
P3684

>  <Name> (1,553)
WAY-215718

>  <Synonyms> (1,553)
N/A

>  <Target> (1,553)
5-HT Receptor,pp6othersc-Src tyrosine kinase

>  <Form> (1,553)
free base

>  <CAS> (1,553)
128175-06-4

>  <URL> (1,553)
N/A

$$$$
WAY-300046
csChFnd80/01132110042D

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>  <Mol_ID> (1,554)
1396

>  <Formula> (1,554)
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>  <Name> (1,554)
WAY-300046

>  <Synonyms> (1,554)
N/A

>  <Target> (1,554)
LtaS,herpes simplex viruses thymidine kinase

>  <Form> (1,554)
free base

>  <CAS> (1,554)
41648-10-6

>  <URL> (1,554)
N/A

$$$$
WAY-300063
csChFnd80/01132110042D

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>  <Mol_ID> (1,555)
1397

>  <Formula> (1,555)
C16H13N3O3

>  <MolWeight> (1,555)
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>  <Cat> (1,555)
P3727

>  <Name> (1,555)
WAY-300063

>  <Synonyms> (1,555)
N/A

>  <Target> (1,555)
Tropomyosin-Related Kinase A,ATP-binding cas

>  <Form> (1,555)
free base

>  <CAS> (1,555)
296888-45-4

>  <URL> (1,555)
N/A

$$$$
WAY-299819
csChFnd80/01132110042D

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>  <Mol_ID> (1,556)
1398

>  <Formula> (1,556)
C12H10ClNOS

>  <MolWeight> (1,556)
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>  <Cat> (1,556)
P3687

>  <Name> (1,556)
WAY-299819

>  <Synonyms> (1,556)
N/A

>  <Target> (1,556)
p38 MAPK,c-Jun-N-Terminal Kinase

>  <Form> (1,556)
free base

>  <CAS> (1,556)
346663-56-7

>  <URL> (1,556)
N/A

$$$$
WAY-300700
csChFnd80/01132110042D

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1399

>  <Formula> (1,557)
C19H22N2O2

>  <MolWeight> (1,557)
310.39018

>  <Cat> (1,557)
P3751

>  <Name> (1,557)
WAY-300700

>  <Synonyms> (1,557)
N/A

>  <Target> (1,557)
HIV-1

>  <Form> (1,557)
free base

>  <CAS> (1,557)
428853-17-2

>  <URL> (1,557)
N/A

$$$$
WAY-300744
csChFnd80/01132110042D

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  5  8  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,558)
1400

>  <Formula> (1,558)
C14H12Cl2N2O2S

>  <MolWeight> (1,558)
343.22828

>  <Cat> (1,558)
P3773

>  <Name> (1,558)
WAY-300744

>  <Synonyms> (1,558)
N/A

>  <Target> (1,558)
kinase

>  <Form> (1,558)
free base

>  <CAS> (1,558)
314284-06-5

>  <URL> (1,558)
N/A

$$$$
WAY-301205
csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.4103   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8103    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0517    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,559)
1401

>  <Formula> (1,559)
C16H20N2O2S2

>  <MolWeight> (1,559)
336.4722

>  <Cat> (1,559)
P3772

>  <Name> (1,559)
WAY-301205

>  <Synonyms> (1,559)
N/A

>  <Target> (1,559)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,559)
free base

>  <CAS> (1,559)
330181-93-6

>  <URL> (1,559)
N/A

$$$$
WAY-301300
csChFnd80/01132110042D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.4931    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207    0.8552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4828   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    0.4517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -0.2241   -0.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9172   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,560)
1402

>  <Formula> (1,560)
C16H17NO4

>  <MolWeight> (1,560)
287.31048

>  <Cat> (1,560)
P3726

>  <Name> (1,560)
WAY-301300

>  <Synonyms> (1,560)
N/A

>  <Target> (1,560)
Rho kinase,bacterial DNA adenine methyltrans

>  <Form> (1,560)
free base

>  <CAS> (1,560)
935279-95-1

>  <URL> (1,560)
N/A

$$$$
WAY-301398
csChFnd80/01132110042D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.1345    0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2966    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    2.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3483    2.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5586   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655   -3.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5828   -3.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000    2.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9310    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3448   -1.5966    0.0000 F   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
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  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  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
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 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  8 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,561)
1403

>  <Formula> (1,561)
C16H13FO4

>  <MolWeight> (1,561)
288.2704232

>  <Cat> (1,561)
P3750

>  <Name> (1,561)
WAY-301398

>  <Synonyms> (1,561)
N/A

>  <Target> (1,561)
arylamine Nacetyltransferase,Protein Kinase 

>  <Form> (1,561)
free base

>  <CAS> (1,561)
312607-68-4

>  <URL> (1,561)
N/A

$$$$
WAY-301464
csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6698    0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6008    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6008    2.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2613   -0.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4698    1.2575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
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  7 13  1  0  0  0  0
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  9 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  9 10  2  0  0  0  0
 14 16  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,562)
1404

>  <Formula> (1,562)
C18H13N3O

>  <MolWeight> (1,562)
287.31532

>  <Cat> (1,562)
P3749

>  <Name> (1,562)
WAY-301464

>  <Synonyms> (1,562)
N/A

>  <Target> (1,562)
Pim-1

>  <Form> (1,562)
free base

>  <CAS> (1,562)
79492-49-2

>  <URL> (1,562)
N/A

$$$$
WAY-301503
csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.1138    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    0.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1138   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2379   -1.3034    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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WAY-118985
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WAY-302159
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WAY-302888
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free base

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333441-11-5

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N/A

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WAY-304800-A
csChFnd80/01132110042D

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WAY-304800-A

>  <Synonyms> (1,570)
N/A

>  <Target> (1,570)
Casein kinase 1¦Ä

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free base

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345616-08-2

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N/A

$$$$
WAY-305025
csChFnd80/01132110042D

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WAY-305025

>  <Synonyms> (1,571)
N/A

>  <Target> (1,571)
Mnk

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free base

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457911-10-3

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N/A

$$$$
WAY-383487
csChFnd80/01132110042D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <MolWeight> (1,572)
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>  <Synonyms> (1,572)
N/A

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CDK

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free base

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748146-89-6

>  <URL> (1,572)
N/A

$$$$
WAY-232261
csChFnd80/01132110042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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1415

>  <Formula> (1,573)
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WAY-232261

>  <Synonyms> (1,573)
N/A

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 PI3K

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free base

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332023-13-9

>  <URL> (1,573)
N/A

$$$$
WAY-340245
csChFnd80/01132110042D

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>  <Synonyms> (1,574)
N/A

>  <Target> (1,574)
ERK

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free base

>  <CAS> (1,574)
350509-85-2

>  <URL> (1,574)
N/A

$$$$
WAY-340935
csChFnd80/01132110042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,575)
1417

>  <Formula> (1,575)
C15H11BrN2O

>  <MolWeight> (1,575)
315.16464

>  <Cat> (1,575)
P3744

>  <Name> (1,575)
WAY-340935

>  <Synonyms> (1,575)
N/A

>  <Target> (1,575)
VEGFR2 kinase

>  <Form> (1,575)
free base

>  <CAS> (1,575)
737818-56-3

>  <URL> (1,575)
N/A

$$$$
WAY-341085
csChFnd80/01132110042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  7  2  0  0  0  0
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 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
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 16 18  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,576)
1418

>  <Formula> (1,576)
C19H16N2O3S

>  <MolWeight> (1,576)
352.40694

>  <Cat> (1,576)
P3769

>  <Name> (1,576)
WAY-341085

>  <Synonyms> (1,576)
N/A

>  <Target> (1,576)
Kinase

>  <Form> (1,576)
free base

>  <CAS> (1,576)
383380-01-6

>  <URL> (1,576)
N/A

$$$$
WAY-346658
csChFnd80/01132110042D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
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 18 13  2  0  0  0  0
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 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,577)
1419

>  <Formula> (1,577)
C13H11ClN2O2S

>  <MolWeight> (1,577)
294.75664

>  <Cat> (1,577)
P3715

>  <Name> (1,577)
WAY-346658

>  <Synonyms> (1,577)
N/A

>  <Target> (1,577)
c-Jun N-terminal kinase

>  <Form> (1,577)
free base

>  <CAS> (1,577)
381714-44-9

>  <URL> (1,577)
N/A

$$$$
WAY-350471
csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 20  6  1  0  0  0  0
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 11  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,578)
1420

>  <Formula> (1,578)
C14H18N4OS

>  <MolWeight> (1,578)
290.38392

>  <Cat> (1,578)
P3714

>  <Name> (1,578)
WAY-350471

>  <Synonyms> (1,578)
N/A

>  <Target> (1,578)
IRAK

>  <Form> (1,578)
free base

>  <CAS> (1,578)
785705-53-5

>  <URL> (1,578)
N/A

$$$$
WAY-352563
csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,579)
1421

>  <Formula> (1,579)
C18H14O4

>  <MolWeight> (1,579)
294.30136

>  <Cat> (1,579)
P3743

>  <Name> (1,579)
WAY-352563

>  <Synonyms> (1,579)
N/A

>  <Target> (1,579)
CDK

>  <Form> (1,579)
free base

>  <CAS> (1,579)
505051-04-7

>  <URL> (1,579)
N/A

$$$$
GI-505946
csChFnd80/01132110042D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,580)
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free base

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136498-37-8

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N/A

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WAY-380496
csChFnd80/01132110042D

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304000-05-3

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N/A

$$$$
WAY-381332
csChFnd80/01132110042D

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free base

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380163-63-3

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N/A

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WAY-332656
csChFnd80/01132110042D

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WAY-332656

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free base

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904458-98-6

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N/A

$$$$
WAY-601017
csChFnd80/01132110042D

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N/A

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WAY-614915
csChFnd80/01132110042D

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WAY-615029
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N/A

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WAY-632613
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free base

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731816-85-6

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N/A

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WAY-632896
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free base

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784170-07-6

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N/A

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WAY-632963-A
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  2  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
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 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
  5  4  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,591)
1433

>  <Formula> (1,591)
C11H12ClN3O

>  <MolWeight> (1,591)
237.68548

>  <Cat> (1,591)
P3478

>  <Name> (1,591)
WAY-632963

>  <Synonyms> (1,591)
N/A

>  <Target> (1,591)
Aurora kinase A

>  <Form> (1,591)
free base

>  <CAS> (1,591)
900640-73-5

>  <URL> (1,591)
N/A

$$$$
WAY-633334
csChFnd80/01132110042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  2  0  0  0  0
 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19  3  1  0  0  0  0
 20  2  1  0  0  0  0
 21  5  1  0  0  0  0
  3  5  1  0  0  0  0
  9  7  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,592)
1434

>  <Formula> (1,592)
C15H15N3O2S

>  <MolWeight> (1,592)
301.3635

>  <Cat> (1,592)
P3479

>  <Name> (1,592)
WAY-633334

>  <Synonyms> (1,592)
N/A

>  <Target> (1,592)
Casein kinase 1¦Ä

>  <Form> (1,592)
free base

>  <CAS> (1,592)
757224-44-5

>  <URL> (1,592)
N/A

$$$$
WAY-633877
csChFnd80/01132110042D

 29 34  0  0  0  0  0  0  0  0999 V2000
    0.3125   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.1042    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
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8 12  2  0  0  0  0
  9 14  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12 13  1  0  0  0  0
 13  4  2  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 23  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  2  0  0  0  0
 24  2  1  0  0  0  0
 25 10  1  0  0  0  0
 26 14  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29 27  1  0  0  0  0
 10  7  2  0  0  0  0
  8  5  1  0  0  0  0
 11  9  1  0  0  0  0
 29 28  1  0  0  0  0
 18 16  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,593)
1435

>  <Formula> (1,593)
C21H19N5O3

>  <MolWeight> (1,593)
389.40726

>  <Cat> (1,593)
P3480

>  <Name> (1,593)
WAY-633877

>  <Synonyms> (1,593)
N/A

>  <Target> (1,593)
Casein kinase 1¦Ä

>  <Form> (1,593)
free base

>  <CAS> (1,593)
782452-74-8

>  <URL> (1,593)
N/A

$$$$
WAY-652435
csChFnd80/01132110042D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    1.3292    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
  3  5  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,594)
1436

>  <Formula> (1,594)
C9H15N3O

>  <MolWeight> (1,594)
181.2349

>  <Cat> (1,594)
P3514

>  <Name> (1,594)
WAY-652435

>  <Synonyms> (1,594)
N/A

>  <Target> (1,594)
P2Y12,tankyrase,Aurora Kinase

>  <Form> (1,594)
free base

>  <CAS> (1,594)
173850-51-6

>  <URL> (1,594)
N/A

$$$$
WAY-652509
csChFnd80/01132110042D

 19 21  0  0  0  0  0  0  0  0999 V2000
    7.1555    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1431    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0143    7.8878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2986    7.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5829    7.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0060    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
 15  9  1  0  0  0  0
 16  8  2  0  0  0  0
 17 10  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 14 13  1  0  0  0  0
  3  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,595)
1437

>  <Formula> (1,595)
C15H12ClN3

>  <MolWeight> (1,595)
269.72888

>  <Cat> (1,595)
P3515

>  <Name> (1,595)
WAY-652509

>  <Synonyms> (1,595)
N/A

>  <Target> (1,595)
quinone reductase 2,Casein kinase 1¦Ä

>  <Form> (1,595)
free base

>  <CAS> (1,595)
854355-54-7

>  <URL> (1,595)
N/A

$$$$
WAY-652641
csChFnd80/01132110042D

 14 14  0  0  0  0  0  0  0  0999 V2000
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   -2.5708   -0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1542    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  2  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
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 14 12  1  0  0  0  0
  3  4  2  0  0  0  0
M  END
>  <Mol_ID> (1,596)
1438

>  <Formula> (1,596)
C9H14N2O3

>  <MolWeight> (1,596)
198.21906

>  <Cat> (1,596)
P3516

>  <Name> (1,596)
WAY-652641

>  <Synonyms> (1,596)
N/A

>  <Target> (1,596)
CDK

>  <Form> (1,596)
free base

>  <CAS> (1,596)
852851-73-1

>  <URL> (1,596)
N/A

$$$$
WAY-652848
csChFnd80/01132110042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,597)
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WAY-652848

>  <Synonyms> (1,597)
N/A

>  <Target> (1,597)
SRPK kinase 

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free base

>  <CAS> (1,597)
848057-98-7

>  <URL> (1,597)
N/A

$$$$
WAY-653005
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,598)
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177.2429

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P3518

>  <Name> (1,598)
WAY-653005

>  <Synonyms> (1,598)
N/A

>  <Target> (1,598)
others

>  <Form> (1,598)
free base

>  <CAS> (1,598)
74190-66-2

>  <URL> (1,598)
N/A

$$$$
WAY-271413
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,599)
1441

>  <Formula> (1,599)
C20H15N3O4S

>  <MolWeight> (1,599)
393.4158

>  <Cat> (1,599)
P3282

>  <Name> (1,599)
WAY-271413

>  <Synonyms> (1,599)
N/A

>  <Target> (1,599)
GSK-3¦Â

>  <Form> (1,599)
free base

>  <CAS> (1,599)
536731-65-4

>  <URL> (1,599)
N/A

$$$$
WAY-271999
csChFnd80/01132110042D

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 10  4  2  0  0  0  0
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M  END
>  <Mol_ID> (1,600)
1442

>  <Formula> (1,600)
C11H7ClN2O3

>  <MolWeight> (1,600)
250.63788

>  <Cat> (1,600)
P3283

>  <Name> (1,600)
WAY-271999

>  <Synonyms> (1,600)
N/A

>  <Target> (1,600)
c-Met

>  <Form> (1,600)
free base

>  <CAS> (1,600)
147920-34-1

>  <URL> (1,600)
N/A

$$$$
WAY-272077
csChFnd80/01132110042D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,601)
1443

>  <Formula> (1,601)
C14H14N2O3S

>  <MolWeight> (1,601)
290.33756

>  <Cat> (1,601)
P3284

>  <Name> (1,601)
WAY-272077

>  <Synonyms> (1,601)
N/A

>  <Target> (1,601)
sphingosine kinase

>  <Form> (1,601)
free base

>  <CAS> (1,601)
1415662-57-5

>  <URL> (1,601)
N/A

$$$$
WAY-272130
csChFnd80/01132110042D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,602)
1444

>  <Formula> (1,602)
C18H12N2O5S

>  <MolWeight> (1,602)
368.36328

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P3285

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FGFR1

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free base

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442534-83-0

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N/A

$$$$
WAY-272324
csChFnd80/01132110042D

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>  <Synonyms> (1,603)
N/A

>  <Target> (1,603)
 PI3K

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free base

>  <CAS> (1,603)
900515-01-7

>  <URL> (1,603)
N/A

$$$$
WAY-272449
csChFnd80/01132110042D

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>  <Name> (1,604)
WAY-272449

>  <Synonyms> (1,604)
N/A

>  <Target> (1,604)
FGFR1

>  <Form> (1,604)
free base

>  <CAS> (1,604)
670266-26-9

>  <URL> (1,604)
N/A

$$$$
WAY-272589
csChFnd80/01132110042D

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1447

>  <Formula> (1,605)
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>  <MolWeight> (1,605)
345.4392

>  <Cat> (1,605)
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>  <Name> (1,605)
WAY-272589

>  <Synonyms> (1,605)
N/A

>  <Target> (1,605)
pin1

>  <Form> (1,605)
free base

>  <CAS> (1,605)
637325-53-2

>  <URL> (1,605)
N/A

$$$$
WAY-320008
csChFnd80/01132110042D

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1448

>  <Formula> (1,606)
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>  <MolWeight> (1,606)
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>  <Cat> (1,606)
P3322

>  <Name> (1,606)
WAY-320008

>  <Synonyms> (1,606)
N/A

>  <Target> (1,606)
tropomyosin-related kinase a

>  <Form> (1,606)
free base

>  <CAS> (1,606)
128889-33-8

>  <URL> (1,606)
N/A

$$$$
WAY-320426
csChFnd80/01132110042D

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>  <Formula> (1,607)
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WAY-320426

>  <Synonyms> (1,607)
N/A

>  <Target> (1,607)
Anti-infection

>  <Form> (1,607)
free base

>  <CAS> (1,607)
312601-47-1

>  <URL> (1,607)
N/A

$$$$
WAY-635767
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,608)
1450

>  <Formula> (1,608)
C12H12ClN3O

>  <MolWeight> (1,608)
249.69618

>  <Cat> (1,608)
P3488

>  <Name> (1,608)
WAY-635767

>  <Synonyms> (1,608)
N/A

>  <Target> (1,608)
Aurora kinase A

>  <Form> (1,608)
free base

>  <CAS> (1,608)
790232-33-6

>  <URL> (1,608)
N/A

$$$$
WAY-654447
csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 18  4  1  0  0  0  0
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M  END
>  <Mol_ID> (1,609)
1451

>  <Formula> (1,609)
C16H14N4O2

>  <MolWeight> (1,609)
294.30796

>  <Cat> (1,609)
P3519

>  <Name> (1,609)
WAY-654447

>  <Synonyms> (1,609)
N/A

>  <Target> (1,609)
FLT3,Androgen Receptor

>  <Form> (1,609)
free base

>  <CAS> (1,609)
852304-07-5

>  <URL> (1,609)
N/A

$$$$
CL-16859
csChFnd80/01132110042D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  4  2  0  0  0  0
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  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
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  7 10  1  0  0  0  0
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  8 10  2  0  0  0  0
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M  END
>  <Mol_ID> (1,610)
1452

>  <Formula> (1,610)
C14H20N2O2

>  <MolWeight> (1,610)
248.3208

>  <Cat> (1,610)
P3254

>  <Name> (1,610)
CL-16859

>  <Synonyms> (1,610)
N/A

>  <Target> (1,610)
Anti-infection 

>  <Form> (1,610)
free base

>  <CAS> (1,610)
438025-86-6

>  <URL> (1,610)
N/A

$$$$
WAY-320706
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  8 13  1  0  0  0  0
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 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,611)
1453

>  <Formula> (1,611)
C13H11ClN6OS2

>  <MolWeight> (1,611)
366.84904

>  <Cat> (1,611)
P3328

>  <Name> (1,611)
WAY-320706

>  <Synonyms> (1,611)
N/A

>  <Target> (1,611)
Anti-infection, ATOH-1

>  <Form> (1,611)
free base

>  <CAS> (1,611)
370092-42-5

>  <URL> (1,611)
N/A

$$$$
WAY-320774
csChFnd80/01132110042D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,612)
1454

>  <Formula> (1,612)
C19H16N4O2S

>  <MolWeight> (1,612)
364.42094

>  <Cat> (1,612)
P3329

>  <Name> (1,612)
WAY-320774

>  <Synonyms> (1,612)
N/A

>  <Target> (1,612)
Kanamycin Resistance Enzyme Eis

>  <Form> (1,612)
free base

>  <CAS> (1,612)
425653-38-9

>  <URL> (1,612)
N/A

$$$$
WAY-320951
csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 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
 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
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,613)
1455

>  <Formula> (1,613)
C14H11N3O4S

>  <MolWeight> (1,613)
317.31984

>  <Cat> (1,613)
P3330

>  <Name> (1,613)
WAY-320951

>  <Synonyms> (1,613)
N/A

>  <Target> (1,613)
Anti-infection

>  <Form> (1,613)
free base

>  <CAS> (1,613)
430444-03-4

>  <URL> (1,613)
N/A

$$$$
WAY-321002
csChFnd80/01132110042D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
  7  9  2  0  0  0  0
 11 14  2  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,614)
1456

>  <Formula> (1,614)
C20H16N4

>  <MolWeight> (1,614)
312.36784

>  <Cat> (1,614)
P3331

>  <Name> (1,614)
WAY-321002

>  <Synonyms> (1,614)
N/A

>  <Target> (1,614)
EGFR,PDE-5,TGF-¦Â,p38-¦Á,

>  <Form> (1,614)
free base

>  <CAS> (1,614)
166039-38-9

>  <URL> (1,614)
N/A

$$$$
WAY-321364
csChFnd80/01132110042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  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
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,615)
1457

>  <Formula> (1,615)
C21H17N3O4

>  <MolWeight> (1,615)
375.37738

>  <Cat> (1,615)
P3332

>  <Name> (1,615)
WAY-321364

>  <Synonyms> (1,615)
N/A

>  <Target> (1,615)
casein kinase 2

>  <Form> (1,615)
free base

>  <CAS> (1,615)
385389-39-9

>  <URL> (1,615)
N/A

$$$$
WAY-321366
csChFnd80/01132110042D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  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
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
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 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,616)
1458

>  <Formula> (1,616)
C20H14ClN3O3

>  <MolWeight> (1,616)
379.79646

>  <Cat> (1,616)
P3333

>  <Name> (1,616)
WAY-321366

>  <Synonyms> (1,616)
N/A

>  <Target> (1,616)
tyrosine kinase

>  <Form> (1,616)
free base

>  <CAS> (1,616)
370854-75-4

>  <URL> (1,616)
N/A

$$$$
WAY-321582-A
csChFnd80/01132110042D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,617)
1459

>  <Formula> (1,617)
C13H11N3O

>  <MolWeight> (1,617)
225.24594

>  <Cat> (1,617)
P3334

>  <Name> (1,617)
WAY-321582-A

>  <Synonyms> (1,617)
N/A

>  <Target> (1,617)
casein kinase 2

>  <Form> (1,617)
free base

>  <CAS> (1,617)
34116-16-0

>  <URL> (1,617)
N/A

$$$$
WAY-321873
csChFnd80/01132110042D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,618)
1460

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C21H17N5O4S

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435.45578

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P3335

>  <Name> (1,618)
WAY-321873

>  <Synonyms> (1,618)
N/A

>  <Target> (1,618)
 GATA4-NKX2-5,AKT

>  <Form> (1,618)
free base

>  <CAS> (1,618)
547704-53-0

>  <URL> (1,618)
N/A

$$$$
WAY-321961
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,619)
1461

>  <Formula> (1,619)
C12H11NO3

>  <MolWeight> (1,619)
217.22064

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P3336

>  <Name> (1,619)
WAY-321961

>  <Synonyms> (1,619)
N/A

>  <Target> (1,619)
protein kinase D

>  <Form> (1,619)
free base

>  <CAS> (1,619)
370586-05-3

>  <URL> (1,619)
N/A

$$$$
WAY-322545
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,620)
1462

>  <Formula> (1,620)
C17H19ClN2O3

>  <MolWeight> (1,620)
334.79736

>  <Cat> (1,620)
P3337

>  <Name> (1,620)
WAY-322545

>  <Synonyms> (1,620)
N/A

>  <Target> (1,620)
GSK-3¦Á/¦Â

>  <Form> (1,620)
free base

>  <CAS> (1,620)
451449-70-0

>  <URL> (1,620)
N/A

$$$$
WAY-322940
csChFnd80/01132110042D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,621)
1463

>  <Formula> (1,621)
C22H20N4O4S

>  <MolWeight> (1,621)
436.4836

>  <Cat> (1,621)
P3338

>  <Name> (1,621)
WAY-322940

>  <Synonyms> (1,621)
N/A

>  <Target> (1,621)
Rho 

>  <Form> (1,621)
free base

>  <CAS> (1,621)
445267-51-6

>  <URL> (1,621)
N/A

$$$$
WAY-604116
csChFnd80/01132110042D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,622)
1464

>  <Formula> (1,622)
C17H22N2O

>  <MolWeight> (1,622)
270.36938

>  <Cat> (1,622)
P3436

>  <Name> (1,622)
WAY-604116

>  <Synonyms> (1,622)
N/A

>  <Target> (1,622)
sphingosine kinase,11¦Â-hydroxysteroid dehyd

>  <Form> (1,622)
free base

>  <CAS> (1,622)
121768-39-6

>  <URL> (1,622)
N/A

$$$$
WAY-603610
csChFnd80/01132110042D

 22 25  0  0  0  0  0  0  0  0999 V2000
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GSK3

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free base

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380450-97-5

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N/A

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WAY-603814
csChFnd80/01132110042D

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M  END
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N/A

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FGFR1, HSP 90 

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free base

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308298-51-3

>  <URL> (1,624)
N/A

$$$$
WAY-636900
csChFnd80/01132110042D

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>  <Mol_ID> (1,625)
1467

>  <Formula> (1,625)
C20H20N4O5S

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428.4616

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P3489

>  <Name> (1,625)
WAY-636900

>  <Synonyms> (1,625)
N/A

>  <Target> (1,625)
Aurora kinase A

>  <Form> (1,625)
free base

>  <CAS> (1,625)
792965-51-6

>  <URL> (1,625)
N/A

$$$$
WAY-636982
csChFnd80/01132110042D

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>  <Mol_ID> (1,626)
1468

>  <Formula> (1,626)
C10H14N2O4

>  <MolWeight> (1,626)
226.22916

>  <Cat> (1,626)
P3490

>  <Name> (1,626)
WAY-636982

>  <Synonyms> (1,626)
N/A

>  <Target> (1,626)
Aurora kinase A

>  <Form> (1,626)
free base

>  <CAS> (1,626)
834-45-7

>  <URL> (1,626)
N/A

$$$$
WAY-637081
csChFnd80/01132110042D

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>  <Mol_ID> (1,627)
1469

>  <Formula> (1,627)
C17H11ClN4O2

>  <MolWeight> (1,627)
338.74784

>  <Cat> (1,627)
P3491

>  <Name> (1,627)
WAY-637081

>  <Synonyms> (1,627)
N/A

>  <Target> (1,627)
VEGFR2,Casein kinase 1d

>  <Form> (1,627)
free base

>  <CAS> (1,627)
793722-88-0

>  <URL> (1,627)
N/A

$$$$
WAY-637493
csChFnd80/01132110042D

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791600-64-1

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N/A

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WAY-637845
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>  <Synonyms> (1,629)
N/A

>  <Target> (1,629)
others

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free base

>  <CAS> (1,629)
794539-14-3

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N/A

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WAY-655860
csChFnd80/01132110042D

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>  <Name> (1,630)
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>  <Synonyms> (1,630)
N/A

>  <Target> (1,630)
B-Raf

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free base

>  <CAS> (1,630)
63895-45-4

>  <URL> (1,630)
N/A

$$$$
WAY-655978
csChFnd80/01132110042D

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free base

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692869-98-0

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N/A

$$$$
WAY-656283
csChFnd80/01132110042D

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>  <Formula> (1,632)
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>  <Cat> (1,632)
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>  <Synonyms> (1,632)
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>  <Target> (1,632)
p38

>  <Form> (1,632)
free base

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263270-62-8

>  <URL> (1,632)
N/A

$$$$
WAY-656935
csChFnd80/01132110042D

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>  <Synonyms> (1,633)
N/A

>  <Target> (1,633)
 ROCK, ERK, GSK, and AGC 

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free base

>  <CAS> (1,633)
852902-81-9

>  <URL> (1,633)
N/A

$$$$
WAY-657460
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>  <Formula> (1,634)
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>  <MolWeight> (1,634)
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>  <Synonyms> (1,634)
N/A

>  <Target> (1,634)
 ROCK, ERK, GSK, and AGC 

>  <Form> (1,634)
free base

>  <CAS> (1,634)
853325-19-6

>  <URL> (1,634)
N/A

$$$$
WAY-323534
csChFnd80/01132110042D

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  2  1  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
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 18 13  2  0  0  0  0
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M  END
>  <Mol_ID> (1,635)
1477

>  <Formula> (1,635)
C20H16ClN3O

>  <MolWeight> (1,635)
349.81354

>  <Cat> (1,635)
P3339

>  <Name> (1,635)
WAY-323534

>  <Synonyms> (1,635)
N/A

>  <Target> (1,635)
PASK

>  <Form> (1,635)
free base

>  <CAS> (1,635)
854040-96-3

>  <URL> (1,635)
N/A

$$$$
WAY-323878-A
csChFnd80/01132110042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
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 17  5  2  0  0  0  0
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M  END
>  <Mol_ID> (1,636)
1478

>  <Formula> (1,636)
C16H14N2O

>  <MolWeight> (1,636)
250.29516

>  <Cat> (1,636)
P3340

>  <Name> (1,636)
WAY-323878-A

>  <Synonyms> (1,636)
N/A

>  <Target> (1,636)
CDK

>  <Form> (1,636)
free base

>  <CAS> (1,636)
1185726-51-5

>  <URL> (1,636)
N/A

$$$$
WAY-323879
csChFnd80/01132110042D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,637)
1479

>  <Formula> (1,637)
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>  <MolWeight> (1,637)
238.28446

>  <Cat> (1,637)
P3341

>  <Name> (1,637)
WAY-323879

>  <Synonyms> (1,637)
N/A

>  <Target> (1,637)
CDK

>  <Form> (1,637)
free base

>  <CAS> (1,637)
685097-43-2

>  <URL> (1,637)
N/A

$$$$
WAY-324418
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,638)
1480

>  <Formula> (1,638)
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>  <MolWeight> (1,638)
262.2877

>  <Cat> (1,638)
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>  <Name> (1,638)
WAY-324418

>  <Synonyms> (1,638)
N/A

>  <Target> (1,638)
Anti-infection

>  <Form> (1,638)
free base

>  <CAS> (1,638)
681838-49-3

>  <URL> (1,638)
N/A

$$$$
WAY-324420
csChFnd80/01132110042D

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>  <Formula> (1,639)
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>  <MolWeight> (1,639)
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>  <Cat> (1,639)
P3343

>  <Name> (1,639)
WAY-324420

>  <Synonyms> (1,639)
N/A

>  <Target> (1,639)
Anti-infection

>  <Form> (1,639)
free base

>  <CAS> (1,639)
681838-50-6

>  <URL> (1,639)
N/A

$$$$
WAY-324709
csChFnd80/01132110042D

 21 24  0  0  0  0  0  0  0  0999 V2000
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free base

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69785-85-9

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N/A

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WAY-325065
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MtSk

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free base

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689762-76-3

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N/A

$$$$
WAY-325185
csChFnd80/01132110042D

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WAY-325185

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VEGFR

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free base

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342785-98-2

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N/A

$$$$
WAY-325484
csChFnd80/01132110042D

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>  <MolWeight> (1,643)
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>  <Synonyms> (1,643)
N/A

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CDK8

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free base

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642002-74-2

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N/A

$$$$
WAY-325485
csChFnd80/01132110042D

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>  <Cat> (1,644)
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>  <Name> (1,644)
WAY-325485

>  <Synonyms> (1,644)
N/A

>  <Target> (1,644)
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>  <Form> (1,644)
free base

>  <CAS> (1,644)
177937-81-4

>  <URL> (1,644)
N/A

$$$$
WAY-325487
csChFnd80/01132110042D

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Others

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free base

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575471-15-7

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N/A

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WAY-325490
csChFnd80/01132110042D

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WAY-325490

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N/A

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mitogen activated protein kinase-activated p

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free base

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77607-70-6

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N/A

$$$$
WAY-606344
csChFnd80/01132110042D

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WAY-606344

>  <Synonyms> (1,647)
N/A

>  <Target> (1,647)
Casein kinase 1d

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free base

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380423-28-9

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N/A

$$$$
WAY-606954
csChFnd80/01132110042D

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>  <Formula> (1,648)
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>  <MolWeight> (1,648)
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>  <Cat> (1,648)
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>  <Name> (1,648)
WAY-606954

>  <Synonyms> (1,648)
N/A

>  <Target> (1,648)
GSK3

>  <Form> (1,648)
free base

>  <CAS> (1,648)
748145-12-2

>  <URL> (1,648)
N/A

$$$$
WAY-606956
csChFnd80/01132110042D

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>  <Formula> (1,649)
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>  <Cat> (1,649)
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>  <Name> (1,649)
WAY-606956

>  <Synonyms> (1,649)
N/A

>  <Target> (1,649)
GSK3

>  <Form> (1,649)
free base

>  <CAS> (1,649)
748145-19-9

>  <URL> (1,649)
N/A

$$$$
WAY-606957
csChFnd80/01132110042D

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WAY-606957

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N/A

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GSK3

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free base

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1062138-03-7

>  <URL> (1,650)
N/A

$$$$
WAY-606958
csChFnd80/01132110042D

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WAY-606958

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N/A

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Casein kinase 1¦Ä

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free base

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882220-11-3

>  <URL> (1,651)
N/A

$$$$
WAY-297342
csChFnd80/01132110042D

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>  <Mol_ID> (1,652)
1494

>  <Formula> (1,652)
C15H15N3O2S

>  <MolWeight> (1,652)
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>  <Cat> (1,652)
P3298

>  <Name> (1,652)
WAY-297342

>  <Synonyms> (1,652)
N/A

>  <Target> (1,652)
Anti-infection,FLT3,SirT1,ATP-utilizing enzy

>  <Form> (1,652)
free base

>  <CAS> (1,652)
298207-49-5

>  <URL> (1,652)
N/A

$$$$
WAY-297629
csChFnd80/01132110042D

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1495

>  <Formula> (1,653)
C21H18N2O3

>  <MolWeight> (1,653)
346.37922

>  <Cat> (1,653)
P3299

>  <Name> (1,653)
WAY-297629

>  <Synonyms> (1,653)
N/A

>  <Target> (1,653)
VEGFR2

>  <Form> (1,653)
free base

>  <CAS> (1,653)
371213-22-8

>  <URL> (1,653)
N/A

$$$$
GI-569525
csChFnd80/01132110042D

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1496

>  <Formula> (1,654)
C18H17NO4S

>  <MolWeight> (1,654)
343.39688

>  <Cat> (1,654)
P3260

>  <Name> (1,654)
GI-569525

>  <Synonyms> (1,654)
N/A

>  <Target> (1,654)
Anti-infection

>  <Form> (1,654)
free base

>  <CAS> (1,654)
96334-43-9

>  <URL> (1,654)
N/A

$$$$
WAY-298041
csChFnd80/01132110042D

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   -4.5207   -0.6103    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
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  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,655)
1497

>  <Formula> (1,655)
C17H15N3O2

>  <MolWeight> (1,655)
293.3199

>  <Cat> (1,655)
P3300

>  <Name> (1,655)
WAY-298041

>  <Synonyms> (1,655)
N/A

>  <Target> (1,655)
c-Met

>  <Form> (1,655)
free base

>  <CAS> (1,655)
299405-67-7

>  <URL> (1,655)
N/A

$$$$
WAY-298350
csChFnd80/01132110042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
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  9  5  1  0  0  0  0
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 11 13  2  0  0  0  0
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 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
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  6  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,656)
1498

>  <Formula> (1,656)
C17H17NO3

>  <MolWeight> (1,656)
283.32178

>  <Cat> (1,656)
P3301

>  <Name> (1,656)
WAY-298350

>  <Synonyms> (1,656)
N/A

>  <Target> (1,656)
A kinase anchor protein/protein kinase A int

>  <Form> (1,656)
free base

>  <CAS> (1,656)
304888-67-3

>  <URL> (1,656)
N/A

$$$$
WAY-298516
csChFnd80/01132110042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 18 20  2  0  0  0  0
  7  9  1  0  0  0  0
 12 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,657)
1499

>  <Formula> (1,657)
C14H13ClN2O3

>  <MolWeight> (1,657)
292.71762

>  <Cat> (1,657)
P3302

>  <Name> (1,657)
WAY-298516

>  <Synonyms> (1,657)
N/A

>  <Target> (1,657)
Androgen Receptor,RAD51,GSK-3

>  <Form> (1,657)
free base

>  <CAS> (1,657)
103056-35-5

>  <URL> (1,657)
N/A

$$$$
WAY-298668
csChFnd80/01132110042D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
 20 22  1  0  0  0  0
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M  END
>  <Mol_ID> (1,658)
1500

>  <Formula> (1,658)
C22H23N5O3

>  <MolWeight> (1,658)
405.44972

>  <Cat> (1,658)
P3303

>  <Name> (1,658)
WAY-298668

>  <Synonyms> (1,658)
N/A

>  <Target> (1,658)
Aurora-A,JAMM protease

>  <Form> (1,658)
free base

>  <CAS> (1,658)
371224-09-8

>  <URL> (1,658)
N/A

$$$$
WAY-607324
csChFnd80/01132110042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
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 16  9  2  0  0  0  0
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 17 14  2  0  0  0  0
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M  END
>  <Mol_ID> (1,659)
1501

>  <Formula> (1,659)
C13H8N2O2S2

>  <MolWeight> (1,659)
288.34482

>  <Cat> (1,659)
P3442

>  <Name> (1,659)
WAY-607324

>  <Synonyms> (1,659)
N/A

>  <Target> (1,659)
Mcl-1,ASK1

>  <Form> (1,659)
free base

>  <CAS> (1,659)
1427537-92-5

>  <URL> (1,659)
N/A

$$$$
WAY-607500
csChFnd80/01132110042D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,660)
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>  <Formula> (1,660)
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>  <Name> (1,660)
WAY-607500

>  <Synonyms> (1,660)
N/A

>  <Target> (1,660)
VEGFR

>  <Form> (1,660)
free base

>  <CAS> (1,660)
186610-88-8

>  <URL> (1,660)
N/A

$$$$
WAY-607738
csChFnd80/01132110042D

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>  <Mol_ID> (1,661)
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>  <MolWeight> (1,661)
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>  <Cat> (1,661)
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>  <Name> (1,661)
WAY-607738

>  <Synonyms> (1,661)
N/A

>  <Target> (1,661)
Mcl-1,mitogen-activated protein kinase phosp

>  <Form> (1,661)
free base

>  <CAS> (1,661)
522624-94-8

>  <URL> (1,661)
N/A

$$$$
WAY-607777
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,662)
1504

>  <Formula> (1,662)
C16H12ClN3O2S2

>  <MolWeight> (1,662)
377.86838

>  <Cat> (1,662)
P3445

>  <Name> (1,662)
WAY-607777

>  <Synonyms> (1,662)
N/A

>  <Target> (1,662)
Casein kinase 1d

>  <Form> (1,662)
free base

>  <CAS> (1,662)
522626-08-0

>  <URL> (1,662)
N/A

$$$$
WAY-619275
csChFnd80/01132110042D

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>  <Mol_ID> (1,663)
1505

>  <Formula> (1,663)
C12H11N5O

>  <MolWeight> (1,663)
241.24864

>  <Cat> (1,663)
P3457

>  <Name> (1,663)
WAY-619275

>  <Synonyms> (1,663)
N/A

>  <Target> (1,663)
Plk1 kinase,EphB2

>  <Form> (1,663)
free base

>  <CAS> (1,663)
73663-97-5

>  <URL> (1,663)
N/A

$$$$
WAY-619999
csChFnd80/01132110042D

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>  <Mol_ID> (1,664)
1506

>  <Formula> (1,664)
C22H19Cl2N3O4

>  <MolWeight> (1,664)
460.30996

>  <Cat> (1,664)
P3458

>  <Name> (1,664)
WAY-619999

>  <Synonyms> (1,664)
N/A

>  <Target> (1,664)
CK2,GSK3¦Â

>  <Form> (1,664)
free base

>  <CAS> (1,664)
736932-33-5

>  <URL> (1,664)
N/A

$$$$
WAY-620099
csChFnd80/01132110042D

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  9  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,665)
1507

>  <Formula> (1,665)
C15H12ClN3S

>  <MolWeight> (1,665)
301.79388

>  <Cat> (1,665)
P3459

>  <Name> (1,665)
WAY-620099

>  <Synonyms> (1,665)
N/A

>  <Target> (1,665)
tyrosine kinase,PI3K,phosphodiesterase V

>  <Form> (1,665)
free base

>  <CAS> (1,665)
128277-24-7

>  <URL> (1,665)
N/A

$$$$
WAY-620147
csChFnd80/01132110042D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (1,666)
1508

>  <Formula> (1,666)
C12H16BrN3O2

>  <MolWeight> (1,666)
314.17834

>  <Cat> (1,666)
P3460

>  <Name> (1,666)
WAY-620147

>  <Synonyms> (1,666)
N/A

>  <Target> (1,666)
monoamine oxidase a

>  <Form> (1,666)
free base

>  <CAS> (1,666)
515866-67-8

>  <URL> (1,666)
N/A

$$$$
WAY-638641
csChFnd80/01132110042D

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 15  8  1  0  0  0  0
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 25 18  1  0  0  0  0
  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,667)
1509

>  <Formula> (1,667)
C16H17N3O5S

>  <MolWeight> (1,667)
363.38828

>  <Cat> (1,667)
P3494

>  <Name> (1,667)
WAY-638641

>  <Synonyms> (1,667)
N/A

>  <Target> (1,667)
Aurora kinase A

>  <Form> (1,667)
free base

>  <CAS> (1,667)
796068-62-7

>  <URL> (1,667)
N/A

$$$$
WAY-638796
csChFnd80/01132110042D

 19 22  0  0  0  0  0  0  0  0999 V2000
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  8  9  2  0  0  0  0
  5  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,668)
1510

>  <Formula> (1,668)
C14H10ClN3S

>  <MolWeight> (1,668)
287.7673

>  <Cat> (1,668)
P3495

>  <Name> (1,668)
WAY-638796

>  <Synonyms> (1,668)
N/A

>  <Target> (1,668)
tyrosine kinase

>  <Form> (1,668)
free base

>  <CAS> (1,668)
796067-64-6

>  <URL> (1,668)
N/A

$$$$
WAY-639405
csChFnd80/01132110042D

 28 32  0  0  0  0  0  0  0  0999 V2000
    0.9917    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
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 22 10  2  0  0  0  0
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  8  9  2  0  0  0  0
  5  3  2  0  0  0  0
 27 18  2  0  0  0  0
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M  END
>  <Mol_ID> (1,669)
1511

>  <Formula> (1,669)
C21H18N4O2S

>  <MolWeight> (1,669)
390.45822

>  <Cat> (1,669)
P3496

>  <Name> (1,669)
WAY-639405

>  <Synonyms> (1,669)
N/A

>  <Target> (1,669)
tyrosine kinase,phosphodiesterase V

>  <Form> (1,669)
free base

>  <CAS> (1,669)
796052-04-5

>  <URL> (1,669)
N/A

$$$$
WAY-658341
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,670)
1512

>  <Formula> (1,670)
C18H15BrN6O2S

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459.3197

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>  <Name> (1,670)
WAY-658341

>  <Synonyms> (1,670)
N/A

>  <Target> (1,670)
Casein kinase 1d

>  <Form> (1,670)
free base

>  <CAS> (1,670)
849012-74-4

>  <URL> (1,670)
N/A

$$$$
WAY-658513
csChFnd80/01132110042D

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 11  5  2  0  0  0  0
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M  END
>  <Mol_ID> (1,671)
1513

>  <Formula> (1,671)
C16H11ClFN3OS

>  <MolWeight> (1,671)
347.7944432

>  <Cat> (1,671)
P3526

>  <Name> (1,671)
WAY-658513

>  <Synonyms> (1,671)
N/A

>  <Target> (1,671)
ROCK, ERK, GSK, and AGC

>  <Form> (1,671)
free base

>  <CAS> (1,671)
692870-25-0

>  <URL> (1,671)
N/A

$$$$
WAY-326250
csChFnd80/01132110042D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,672)
1514

>  <Formula> (1,672)
C15H13N5OS

>  <MolWeight> (1,672)
311.36162

>  <Cat> (1,672)
P3351

>  <Name> (1,672)
WAY-326250

>  <Synonyms> (1,672)
N/A

>  <Target> (1,672)
shikimate kinase

>  <Form> (1,672)
free base

>  <CAS> (1,672)
869872-13-9

>  <URL> (1,672)
N/A

$$$$
WAY-326542
csChFnd80/01132110042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,673)
1515

>  <Formula> (1,673)
C16H15NO3S

>  <MolWeight> (1,673)
301.3602

>  <Cat> (1,673)
P3352

>  <Name> (1,673)
WAY-326542

>  <Synonyms> (1,673)
N/A

>  <Target> (1,673)
CDK5/p25

>  <Form> (1,673)
free base

>  <CAS> (1,673)
870983-04-3

>  <URL> (1,673)
N/A

$$$$
WAY-326578
csChFnd80/01132110042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,674)
1516

>  <Formula> (1,674)
C16H16N2O3S

>  <MolWeight> (1,674)
316.37484

>  <Cat> (1,674)
P3353

>  <Name> (1,674)
WAY-326578

>  <Synonyms> (1,674)
N/A

>  <Target> (1,674)
GSK-3b

>  <Form> (1,674)
free base

>  <CAS> (1,674)
870984-34-2

>  <URL> (1,674)
N/A

$$$$
WAY-326890
csChFnd80/01132110042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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free base

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685865-67-2

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N/A

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WAY-326891
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>  <Synonyms> (1,676)
N/A

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kinase

>  <Form> (1,676)
free base

>  <CAS> (1,676)
685865-71-8

>  <URL> (1,676)
N/A

$$$$
WAY-326892
csChFnd80/01132110042D

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>  <MolWeight> (1,677)
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>  <Synonyms> (1,677)
N/A

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kinase

>  <Form> (1,677)
free base

>  <CAS> (1,677)
685865-72-9

>  <URL> (1,677)
N/A

$$$$
WAY-326893
csChFnd80/01132110042D

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>  <Formula> (1,678)
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>  <MolWeight> (1,678)
375.46518

>  <Cat> (1,678)
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>  <Name> (1,678)
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>  <Synonyms> (1,678)
N/A

>  <Target> (1,678)
Others

>  <Form> (1,678)
free base

>  <CAS> (1,678)
685865-73-0

>  <URL> (1,678)
N/A

$$$$
WAY-326894
csChFnd80/01132110042D

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>  <Formula> (1,679)
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>  <MolWeight> (1,679)
365.4024832

>  <Cat> (1,679)
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WAY-326894

>  <Synonyms> (1,679)
N/A

>  <Target> (1,679)
kinase

>  <Form> (1,679)
free base

>  <CAS> (1,679)
685865-75-2

>  <URL> (1,679)
N/A

$$$$
WAY-327480
csChFnd80/01132110042D

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WAY-327480

>  <Synonyms> (1,680)
N/A

>  <Target> (1,680)
ROS

>  <Form> (1,680)
free base

>  <CAS> (1,680)
687576-28-9

>  <URL> (1,680)
N/A

$$$$
WAY-328158
csChFnd80/01132110042D

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M  END
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1523

>  <Formula> (1,681)
C19H16FN3O3S

>  <MolWeight> (1,681)
385.4120432

>  <Cat> (1,681)
P3360

>  <Name> (1,681)
WAY-328158

>  <Synonyms> (1,681)
N/A

>  <Target> (1,681)
BCR-ABL

>  <Form> (1,681)
free base

>  <CAS> (1,681)
688050-42-2

>  <URL> (1,681)
N/A

$$$$
WAY-621129
csChFnd80/01132110042D

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M  END
>  <Mol_ID> (1,682)
1524

>  <Formula> (1,682)
C16H12O4

>  <MolWeight> (1,682)
268.26408

>  <Cat> (1,682)
P3461

>  <Name> (1,682)
WAY-621129

>  <Synonyms> (1,682)
N/A

>  <Target> (1,682)
SIRT6,BCRP/ABCG2,CK2,HIV-1 protease,CDK

>  <Form> (1,682)
free base

>  <CAS> (1,682)
6889-78-7

>  <URL> (1,682)
N/A

$$$$
WAY-621555
csChFnd80/01132110042D

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>  <Mol_ID> (1,683)
1525

>  <Formula> (1,683)
C22H21N5

>  <MolWeight> (1,683)
355.43564

>  <Cat> (1,683)
P3462

>  <Name> (1,683)
WAY-621555

>  <Synonyms> (1,683)
N/A

>  <Target> (1,683)
Casein kinase 1¦Ä

>  <Form> (1,683)
free base

>  <CAS> (1,683)
956753-89-2

>  <URL> (1,683)
N/A

$$$$
WAY-621640
csChFnd80/01132110042D

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>  <Mol_ID> (1,684)
1526

>  <Formula> (1,684)
C17H15N3O2S

>  <MolWeight> (1,684)
325.3849

>  <Cat> (1,684)
P3463

>  <Name> (1,684)
WAY-621640

>  <Synonyms> (1,684)
N/A

>  <Target> (1,684)
Casein kinase 1¦Ä

>  <Form> (1,684)
free base

>  <CAS> (1,684)
742113-71-9

>  <URL> (1,684)
N/A

$$$$
WAY-621856
csChFnd80/01132110042D

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FGFR

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free base

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606958-57-0

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N/A

$$$$
WAY-639932
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WAY-639932

>  <Synonyms> (1,686)
N/A

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Casein kinase 1¦Ä

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free base

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851467-69-1

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N/A

$$$$
WAY-660114
csChFnd80/01132110042D

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WAY-660114

>  <Synonyms> (1,687)
N/A

>  <Target> (1,687)
kinase

>  <Form> (1,687)
free base

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871317-00-9

>  <URL> (1,687)
N/A

$$$$
WAY-660222
csChFnd80/01132110042D

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>  <Mol_ID> (1,688)
1530

>  <Formula> (1,688)
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>  <MolWeight> (1,688)
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>  <Name> (1,688)
WAY-660222

>  <Synonyms> (1,688)
N/A

>  <Target> (1,688)
EGFR

>  <Form> (1,688)
free base

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867294-23-3

>  <URL> (1,688)
N/A

$$$$
WAY-660667
csChFnd80/01132110042D

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>  <Formula> (1,689)
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>  <MolWeight> (1,689)
339.34858

>  <Cat> (1,689)
P3529

>  <Name> (1,689)
WAY-660667

>  <Synonyms> (1,689)
N/A

>  <Target> (1,689)
ROS

>  <Form> (1,689)
free base

>  <CAS> (1,689)
871218-26-7

>  <URL> (1,689)
N/A

$$$$
WAY-661516
csChFnd80/01132110042D

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 11  6  1  0  0  0  0
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  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,690)
1532

>  <Formula> (1,690)
C15H15ClFN3O5

>  <MolWeight> (1,690)
371.7481032

>  <Cat> (1,690)
P3530

>  <Name> (1,690)
WAY-661516

>  <Synonyms> (1,690)
N/A

>  <Target> (1,690)
Aurora kinase A

>  <Form> (1,690)
free base

>  <CAS> (1,690)
875163-98-7

>  <URL> (1,690)
N/A

$$$$
CL-230482
csChFnd80/01132110042D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0418   -0.2584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2306   -0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  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  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
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 15 16  1  0  0  0  0
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 16 18  2  0  0  0  0
  5  9  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,691)
1533

>  <Formula> (1,691)
C15H12N2O

>  <MolWeight> (1,691)
236.26858

>  <Cat> (1,691)
P3255

>  <Name> (1,691)
CL-230482

>  <Synonyms> (1,691)
N/A

>  <Target> (1,691)
PDGFR

>  <Form> (1,691)
free base

>  <CAS> (1,691)
909859-35-4

>  <URL> (1,691)
N/A

$$$$
WYE-163716-A
csChFnd80/01132110042D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.2542   -0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5783   -0.7307    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  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,692)
1534

>  <Formula> (1,692)
C15H14N4O2S2

>  <MolWeight> (1,692)
346.42726

>  <Cat> (1,692)
P3533

>  <Name> (1,692)
WYE-163716-A

>  <Synonyms> (1,692)
N/A

>  <Target> (1,692)
rRNA ErmC' methyltransferase,F508del-CFTR,PI

>  <Form> (1,692)
free base

>  <CAS> (1,692)
92902-64-2

>  <URL> (1,692)
N/A

$$$$
WYE-175765
csChFnd80/01132110042D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.4583    0.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 20  2  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
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 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
  9 12  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,693)
1535

>  <Formula> (1,693)
C14H13NO6S

>  <MolWeight> (1,693)
323.32112

>  <Cat> (1,693)
P3534

>  <Name> (1,693)
WYE-175765

>  <Synonyms> (1,693)
N/A

>  <Target> (1,693)
JAK3,YopH,antibacterial

>  <Form> (1,693)
free base

>  <CAS> (1,693)
956236-35-4

>  <URL> (1,693)
N/A

$$$$
WYE-175829
csChFnd80/01132110042D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  2  0  0  0  0
 15  8  1  0  0  0  0
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 16 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,694)
1536

>  <Formula> (1,694)
C13H14N2O3S

>  <MolWeight> (1,694)
278.32686

>  <Cat> (1,694)
P3535

>  <Name> (1,694)
WYE-175829

>  <Synonyms> (1,694)
N/A

>  <Target> (1,694)
tyrosine kinase,gonadotropin-releasing hormo

>  <Form> (1,694)
free base

>  <CAS> (1,694)
327093-01-6

>  <URL> (1,694)
N/A

$$$$
WYE-175837
csChFnd80/01132110042D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,695)
1537

>  <Formula> (1,695)
C14H14N2O2

>  <MolWeight> (1,695)
242.27316

>  <Cat> (1,695)
P3536

>  <Name> (1,695)
WYE-175837

>  <Synonyms> (1,695)
N/A

>  <Target> (1,695)
BTK,VEGFR-2,Protein Arginine Deiminase

>  <Form> (1,695)
free base

>  <CAS> (1,695)
891-35-0

>  <URL> (1,695)
N/A

$$$$
WYE-175840
csChFnd80/01132110042D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 20 10  1  0  0  0  0
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 22 14  1  0  0  0  0
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 26 24  2  0  0  0  0
  3  4  1  0  0  0  0
 15 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,696)
1538

>  <Formula> (1,696)
C17H19N5O3S

>  <MolWeight> (1,696)
373.42946

>  <Cat> (1,696)
P3537

>  <Name> (1,696)
WYE-175840

>  <Synonyms> (1,696)
N/A

>  <Target> (1,696)
Glutamate Racemase,protein kinase-activated 

>  <Form> (1,696)
free base

>  <CAS> (1,696)
380432-29-1

>  <URL> (1,696)
N/A

$$$$
WYE-176092
csChFnd80/01132110042D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
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M  END
>  <Mol_ID> (1,697)
1539

>  <Formula> (1,697)
C12H14N2O2S2

>  <MolWeight> (1,697)
282.38176

>  <Cat> (1,697)
P3538

>  <Name> (1,697)
WYE-176092

>  <Synonyms> (1,697)
N/A

>  <Target> (1,697)
Anti-infection

>  <Form> (1,697)
free base

>  <CAS> (1,697)
121746-06-3

>  <URL> (1,697)
N/A

$$$$
WAY-333491
csChFnd80/01132110042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  6  3  1  0  0  0  0
 12 10  2  0  0  0  0
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M  END
>  <Mol_ID> (1,698)
1540

>  <Formula> (1,698)
C18H19N5OS

>  <MolWeight> (1,698)
353.44136

>  <Cat> (1,698)
P3379

>  <Name> (1,698)
WAY-333491

>  <Synonyms> (1,698)
N/A

>  <Target> (1,698)
LRRK2

>  <Form> (1,698)
free base

>  <CAS> (1,698)
852375-30-5

>  <URL> (1,698)
N/A

$$$$
WAY-333434
csChFnd80/01132110042D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  6  3  1  0  0  0  0
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 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,699)
1541

>  <Formula> (1,699)
C19H20FN5OS

>  <MolWeight> (1,699)
385.4584032

>  <Cat> (1,699)
P3378

>  <Name> (1,699)
WAY-333434

>  <Synonyms> (1,699)
N/A

>  <Target> (1,699)
Others

>  <Form> (1,699)
free base

>  <CAS> (1,699)
721964-45-0

>  <URL> (1,699)
N/A

$$$$
WAY-662864
csChFnd80/01132110042D

 25 27  0  0  0  0  0  0  0  0999 V2000
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N/A

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WAY-278752
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WAY-329594
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free base

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956910-37-5

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N/A

$$$$
WAY-329599
csChFnd80/01132110042D

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others

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free base

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956910-38-6

>  <URL> (1,703)
N/A

$$$$
WAY-329603
csChFnd80/01132110042D

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others

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free base

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956910-39-7

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N/A

$$$$
WAY-329598
csChFnd80/01132110042D

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>  <Synonyms> (1,705)
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others

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free base

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956910-48-8

>  <URL> (1,705)
N/A

$$$$
WAY-329607
csChFnd80/01132110042D

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>  <URL> (1,706)
N/A

$$$$
WAY-278535
csChFnd80/01132110042D

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N/A

$$$$
