untitled.cdx
csChFnd80/09132309312D

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1

>  <Formula> (1)
C21H18FN5O

>  <MolWeight> (1)
375.3989232

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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
csChFnd80/09132309312D

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>  <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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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>  <Mol_ID> (4)
4

>  <Formula> (4)
C17H15BrClFN4O3

>  <MolWeight> (4)
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>  <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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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M  END
>  <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
csChFnd80/09132309312D

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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

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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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12

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C21H21FN6O

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392.4294432

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S1018

>  <Name> (12)
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

$$$$
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
csChFnd80/09132309312D

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>  <Mol_ID> (14)
14

>  <Formula> (14)
C30H35N7O4S

>  <MolWeight> (14)
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>  <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
csChFnd80/09132309312D

 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
csChFnd80/09132309312D

 38 39  0  0  0  0  0  0  0  0999 V2000
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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
csChFnd80/09132309312D

 39 43  0  0  0  0  0  0  0  0999 V2000
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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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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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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

$$$$

csChFnd80/09132309312D

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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

$$$$

csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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>  <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
csChFnd80/09132309312D

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>  <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
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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
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301836-41-9

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

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280744-09-4

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p38 MAPK 

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152121-47-6

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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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Akt

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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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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
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>  <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
csChFnd80/09132309312D

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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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>  <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)
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>  <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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csChFnd80/09132309312D

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>  <Synonyms> (54)
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>  <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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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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>  <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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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918505-84-7

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CDK 

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Free Base

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186692-46-6 

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537705-08-1

>  <URL> (65)
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693228-63-6

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EGFR

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1213269-23-8

>  <URL> (69)
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   10.8951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5282    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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 18 21  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
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
csChFnd80/09132309312D

 28 31  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
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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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  1  6  2  0  0  0  0
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 10 11  1  0  0  0  0
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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
csChFnd80/09132309312D

 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
csChFnd80/09132309312D

 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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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>  <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
csChFnd80/09132309312D

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mTOR 

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938440-64-3

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

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c-Met, c-Kit, PDGFR, Flt, c-RET

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

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

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Leflunomide

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Arava

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Dehydrogenase

>  <Form> (81)
Free Base

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

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

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JNJ-7706621

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CDK, Aurora Kinase

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443797-96-4

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

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mTOR 

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EGFR

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>  <Mol_ID> (88)
88

>  <Formula> (88)
C26H20FN5O2S2

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S1361

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MGCD-265

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N/A

>  <Target> (88)
c-Met, VEGFR, Tie-2 

>  <Form> (88)
Free Base

>  <CAS> (88)
875337-44-3

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

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csChFnd80/09132309312D

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>  <Mol_ID> (89)
89

>  <Formula> (89)
C21H24NNaO8S

>  <MolWeight> (89)
473.47193

>  <Cat> (89)
S1362

>  <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
csChFnd80/09132309312D

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>  <Mol_ID> (90)
90

>  <Formula> (90)
C24H18F3N3O4

>  <MolWeight> (90)
469.4126296

>  <Cat> (90)
S1363

>  <Name> (90)
Ki8751

>  <Synonyms> (90)
N/A

>  <Target> (90)
VEGFR, c-Kit, PDGFR

>  <Form> (90)
Free Base

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

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

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (91)
91

>  <Formula> (91)
C22H19Cl3N8

>  <MolWeight> (91)
501.79886

>  <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
csChFnd80/09132309312D

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>  <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
csChFnd80/09132309312D

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>  <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
csChFnd80/09132309312D

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>  <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
csChFnd80/09132309312D

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>  <Mol_ID> (95)
95

>  <Formula> (95)
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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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PLK 

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173529-46-9 

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

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PI3K, VEGFR

>  <Form> (105)
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593960-11-3

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

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N/A 

>  <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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csChFnd80/09132309312D

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107

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C24H22O6

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406.42788

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S2238

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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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csChFnd80/09132309312D

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>  <Target> (108)
PI3K, mTOR

>  <Form> (108)
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>  <CAS> (108)
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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>  <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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>  <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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117

>  <Formula> (117)
C25H31N5O4

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AZD8055

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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

>  <MolWeight> (118)
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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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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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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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csChFnd80/09132309312D

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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

$$$$
KU-60019.cdx
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>  <Mol_ID> (123)
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>  <Synonyms> (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
csChFnd80/09132309312D

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>  <Mol_ID> (124)
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>  <Formula> (124)
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>  <MolWeight> (124)
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>  <Cat> (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
csChFnd80/09132309312D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
csChFnd80/09132309312D

 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
csChFnd80/09132309312D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   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
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    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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

$$$$

csChFnd80/09132309312D

 38 41  0  0  0  0  0  0  0  0999 V2000
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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
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
csChFnd80/09132309312D

 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
csChFnd80/09132309312D

 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
csChFnd80/09132309312D

 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
csChFnd80/09132309312D

 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
csChFnd80/09132309312D

 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
csChFnd80/09132309312D

 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
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    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
csChFnd80/09132309312D

 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
csChFnd80/09132309312D

 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
csChFnd80/09132309312D

 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
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    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
 11 12  2  0  0  0  0
 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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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
csChFnd80/09132309312D

 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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    4.8582    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 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
csChFnd80/09132309312D

 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
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    3.7634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
csChFnd80/09132309312D

 32 33  0  0  0  0  0  0  0  0999 V2000
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 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
csChFnd80/09132309312D

  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
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  1  2  1  0  0  0  0
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  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
csChFnd80/09132309312D

 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
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  1  2  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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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
csChFnd80/09132309312D

 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
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    3.6415    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> (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
csChFnd80/09132309312D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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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
csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    2.4207    0.7024    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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 13 14  2  0  0  0  0
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 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
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
csChFnd80/09132309312D

 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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    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    6.2927    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
   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
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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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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 18 20  1  0  0  0  0
 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
csChFnd80/09132309312D

 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
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3646    3.4388    0.0000 N   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
csChFnd80/09132309312D

 40 44  0  0  0  0  0  0  0  0999 V2000
    2.9519    3.3541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 31 34  1  0  0  0  0
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 37 40  1  0  0  0  0
  1 36  1  0  0  0  0
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
csChFnd80/09132309312D

 41 46  0  0  0  0  0  0  0  0999 V2000
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802539-81-7

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>  <Mol_ID> (153)
153

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C25H23N5O2

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425.48242

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GW788388

>  <Synonyms> (153)
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
csChFnd80/09132309312D

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>  <Mol_ID> (154)
154

>  <Formula> (154)
C29H26ClFN4O4S

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>  <Cat> (154)
S2111

>  <Name> (154)
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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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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157

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N/A 

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IGF-1R

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Free Base

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65678-07-1

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

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3-Methyladenine.cdx
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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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ARQ-197.cdx
csChFnd80/09132309312D

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159

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C23H19N3O2

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S2753

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ARQ 197 (Tivantinib)

>  <Synonyms> (159)
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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BX-912.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (161)
161

>  <Formula> (161)
C20H23BrN8O

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N/A

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PDK-1 

>  <Form> (161)
Free Base

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

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

$$$$
NVP-BVU972.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (162)
162

>  <Formula> (162)
C20H16N6

>  <MolWeight> (162)
340.38124

>  <Cat> (162)
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>  <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
csChFnd80/09132309312D

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>  <Mol_ID> (163)
163

>  <Formula> (163)
C23H24N8O4S

>  <MolWeight> (163)
508.55286

>  <Cat> (163)
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>  <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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164

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C27H33FN6O7

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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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>  <Cat> (165)
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>  <Name> (165)
AST-1306

>  <Synonyms> (165)
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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BMS-265246

>  <Synonyms> (166)
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>  <Target> (166)
CDK

>  <Form> (166)
Free Base

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

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

$$$$
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>  <Synonyms> (167)
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>  <Target> (167)
TGF-beta/Smad 

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

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

$$$$
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>  <Cat> (168)
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MK-2461

>  <Synonyms> (168)
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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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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

$$$$
Sotrastaurin£¨AEB071£©.cdx
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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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M  END
>  <Mol_ID> (181)
181

>  <Formula> (181)
C24H15F3N4O

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S2817

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Torin 2

>  <Synonyms> (181)
N/A 

>  <Target> (181)
mTOR

>  <Form> (181)
Free Base

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

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

$$$$
BYL-719.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (182)
182

>  <Formula> (182)
C19H22F3N5O2S

>  <MolWeight> (182)
441.4704896

>  <Cat> (182)
S2814

>  <Name> (182)
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
csChFnd80/09132309312D

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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
csChFnd80/09132309312D

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>  <Mol_ID> (184)
184

>  <Formula> (184)
C23H25ClN6O3

>  <MolWeight> (184)
468.936

>  <Cat> (184)
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
csChFnd80/09132309312D

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>  <Mol_ID> (185)
185

>  <Formula> (185)
C15H10O7

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302.2357

>  <Cat> (185)
S2391

>  <Name> (185)
Quercetin (Sophoretin)

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Meletin, Quercetine

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PI3K, PKC, Src, Sirtuin

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117-39-5

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10338-51-9

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417716-92-8

>  <URL> (187)
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869357-68-6

>  <URL> (188)
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1000669-72-6

>  <URL> (189)
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N/A 

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Raf, VEGFR

>  <Form> (190)
Free Base

>  <CAS> (190)
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)
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>  <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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198

>  <Formula> (198)
C26H20F3N7O

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S2202

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NVP-BHG712

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N/A

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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
csChFnd80/09132309312D

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>  <Mol_ID> (199)
199

>  <Formula> (199)
C21H22ClN3O4

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S2205

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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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>  <Mol_ID> (200)
200

>  <Formula> (200)
C22H19N7O

>  <MolWeight> (200)
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>  <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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csChFnd80/09132309312D

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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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>  <Mol_ID> (202)
202

>  <Formula> (202)
C25H23F3N4O2

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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)
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>  <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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>  <Mol_ID> (205)
205

>  <Formula> (205)
C27H27N5O2

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

>  <Synonyms> (205)
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>  <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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    8.4702    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 14 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (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
csChFnd80/09132309312D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    0.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.9569    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    3.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3450    3.8280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2081    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5956    1.4204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9872    4.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  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
csChFnd80/09132309312D

 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
    6.0538    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    1.3976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.4976    0.0000 C   0  0  1  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
    4.8413    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
csChFnd80/09132309312D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (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
csChFnd80/09132309312D

 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    4.5249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.5249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    5.2249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    5.2249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    5.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.9249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.5297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  1 23  1  6  0  0  0
  4 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 21 27  1  6  0  0  0
  3 28  1  6  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
  5 31  1  1  0  0  0
  9 32  1  1  0  0  0
 18 33  1  1  0  0  0
 22 34  1  1  0  0  0
 17 35  1  1  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 28 38  1  0  0  0  0
M  END
>  <Mol_ID> (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
csChFnd80/09132309312D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1662    8.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  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
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 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

$$$$
Cryptotanshinone.cdx
csChFnd80/09132309312D

 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
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    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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    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3937    5.8451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    7.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  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 10  1  0  0  0  0
 10  5  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (212)
212

>  <Formula> (212)
C19H20O3

>  <MolWeight> (212)
296.3603

>  <Cat> (212)
S2285

>  <Name> (212)
Cryptotanshinone

>  <Synonyms> (212)
N/A

>  <Target> (212)
STAT

>  <Form> (212)
Free Base

>  <CAS> (212)
35825-57-1

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

$$$$
Emodin.cdx
csChFnd80/09132309312D

 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
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  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> (213)
213

>  <Formula> (213)
C15H10O5

>  <MolWeight> (213)
270.2369

>  <Cat> (213)
S2295

>  <Name> (213)
Emodin

>  <Synonyms> (213)
N/A

>  <Target> (213)
Dehydrogenase

>  <Form> (213)
Free Base

>  <CAS> (213)
518-82-1

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

$$$$
Formononetin.cdx
csChFnd80/09132309312D

 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
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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
  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> (214)
214

>  <Formula> (214)
C16H12O4

>  <MolWeight> (214)
268.26408

>  <Cat> (214)
S2299

>  <Name> (214)
Formononetin (Formononetol)

>  <Synonyms> (214)
Biochanin B, Formononetol 

>  <Target> (214)
Others

>  <Form> (214)
Free Base

>  <CAS> (214)
485-72-3

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

$$$$
Fumalic acid.cdx
csChFnd80/09132309312D

 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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  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> (215)
215

>  <Formula> (215)
C10H10O4

>  <MolWeight> (215)
194.184

>  <Cat> (215)
S2300

>  <Name> (215)
Fumalic acid (Ferulic acid)

>  <Synonyms> (215)
Ferulic acid

>  <Target> (215)
Others

>  <Form> (215)
Free Base

>  <CAS> (215)
1135-24-6

>  <URL> (215)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

$$$$
Hesperetin.cdx
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 10  5  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  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> (216)
216

>  <Formula> (216)
C16H14O6

>  <MolWeight> (216)
302.27876

>  <Cat> (216)
S2308

>  <Name> (216)
Hesperetin

>  <Synonyms> (216)
N/A

>  <Target> (216)
Histamine Receptor

>  <Form> (216)
Free Base

>  <CAS> (216)
520-33-2

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

$$$$
Honokiol.cdx
csChFnd80/09132309312D

 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
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    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (217)
217

>  <Formula> (217)
C18H18O2

>  <MolWeight> (217)
266.33432

>  <Cat> (217)
S2310

>  <Name> (217)
Honokiol

>  <Synonyms> (217)
N/A

>  <Target> (217)
Akt, MEK

>  <Form> (217)
Free Base

>  <CAS> (217)
35354-74-6

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

$$$$
Myricetin.cdx
csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (218)
218

>  <Formula> (218)
C15H10O8

>  <MolWeight> (218)
318.2351

>  <Cat> (218)
S2326

>  <Name> (218)
Myricetin (Cannabiscetin)

>  <Synonyms> (218)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (218)
NULL

>  <Form> (218)
Free Base

>  <CAS> (218)
529-44-2

>  <URL> (218)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

$$$$
Myricitrin.cdx
csChFnd80/09132309312D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (219)
219

>  <Formula> (219)
C21H20O12

>  <MolWeight> (219)
464.3763

>  <Cat> (219)
S2327

>  <Name> (219)
Myricitrin (Myricitrine)

>  <Synonyms> (219)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (219)
PKC

>  <Form> (219)
Free Base

>  <CAS> (219)
17912-87-7

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

$$$$
Oridonin.cdx
csChFnd80/09132309312D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.5553    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5553    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7677    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5097    5.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1465    5.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    6.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    6.8823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9105    8.4019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4641    6.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1677    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1062    7.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    3.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5654    1.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3429    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1884    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8719    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624    7.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980    9.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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> (220)
220

>  <Formula> (220)
C20H28O6

>  <MolWeight> (220)
364.43272

>  <Cat> (220)
S2335

>  <Name> (220)
Oridonin (Isodonol)

>  <Synonyms> (220)
Isodonol

>  <Target> (220)
Others

>  <Form> (220)
Free Base

>  <CAS> (220)
28957-04-2

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/09132309312D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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> (221)
221

>  <Formula> (221)
C15H14O9

>  <MolWeight> (221)
338.26626

>  <Cat> (221)
S2347

>  <Name> (221)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (221)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (221)
Others

>  <Form> (221)
Dihydrate

>  <CAS> (221)
6151-25-3

>  <URL> (221)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
  9 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (222)
222

>  <Formula> (222)
C15H12O8

>  <MolWeight> (222)
320.25098

>  <Cat> (222)
S2399

>  <Name> (222)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (222)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (222)
Others

>  <Form> (222)
Free Base

>  <CAS> (222)
27200-12-0

>  <URL> (222)
http://www.selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

$$$$
Sophocarpine.cdx
csChFnd80/09132309312D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C15H22N2O

>  <MolWeight> (223)
246.34798

>  <Cat> (223)
S2405

>  <Name> (223)
Sophocarpine

>  <Synonyms> (223)
N/A

>  <Target> (223)
Others

>  <Form> (223)
Free Base

>  <CAS> (223)
6483-15-4

>  <URL> (223)
http://www.selleckchem.com/products/Sophocarpine.html

$$$$
Chrysophanic acid.cdx
csChFnd80/09132309312D

 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
    3.6373    5.5903    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
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  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> (224)
224

>  <Formula> (224)
C15H10O4

>  <MolWeight> (224)
254.2375

>  <Cat> (224)
S2406

>  <Name> (224)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (224)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (224)
EGFR, mTOR

>  <Form> (224)
Free Base

>  <CAS> (224)
481-74-3

>  <URL> (224)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Curcumol.cdx
csChFnd80/09132309312D

 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> (225)
225

>  <Formula> (225)
C15H24O2

>  <MolWeight> (225)
236.34986

>  <Cat> (225)
S2407

>  <Name> (225)
Curcumol

>  <Synonyms> (225)
N/A

>  <Target> (225)
JAK

>  <Form> (225)
Free Base

>  <CAS> (225)
4871-97-0

>  <URL> (225)
http://www.selleckchem.com/products/Curcumol.html

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/09132309312D

 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
    8.4744    4.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4702    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
 15 16  1  0  0  0  0
 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> (226)
226

>  <Formula> (226)
C18H29ClN2O

>  <MolWeight> (226)
324.88866

>  <Cat> (226)
S2454

>  <Name> (226)
Bupivacaine hydrochloride (Marcain)

>  <Synonyms> (226)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (226)
Sodium Channel

>  <Form> (226)
Hydrochloride

>  <CAS> (226)
18010-40-7

>  <URL> (226)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

$$$$
Imatinib.cdx
csChFnd80/09132309312D

 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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152459-95-5

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Src

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936563-96-1

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http://www.selleckchem.com/products/pci-32765.html

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934541-31-8

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N/A

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Flt, JAK, c-RET

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Free Base

>  <CAS> (230)
936091-14-4

>  <URL> (230)
http://www.selleckchem.com/products/tg101209.html

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AMG 900

>  <Synonyms> (231)
N/A

>  <Target> (231)
Aurora Kinase

>  <Form> (231)
Free Base

>  <CAS> (231)
945595-80-2

>  <URL> (231)
http://www.selleckchem.com/products/amg-900.html

$$$$

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232

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C22H30Cl2N4O6

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S2485

>  <Name> (232)
Mitoxantrone 2HCl

>  <Synonyms> (232)
NSC-301739

>  <Target> (232)
Topoisomerase

>  <Form> (232)
Dihydrochloride

>  <CAS> (232)
70476-82-3

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

$$$$
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233

>  <Formula> (233)
C25H17F2N5O3S

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Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (233)
N/A 

>  <Target> (233)
PI3K, mTOR

>  <Form> (233)
Free Base

>  <CAS> (233)
1086062-66-9 

>  <URL> (233)
http://www.selleckchem.com/products/gsk2126458.html

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M  END
>  <Mol_ID> (234)
234

>  <Formula> (234)
C19H34ClNO2

>  <MolWeight> (234)
343.93176

>  <Cat> (234)
S5002

>  <Name> (234)
Fingolimod (FTY720) HCl

>  <Synonyms> (234)
Gilenia 

>  <Target> (234)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (234)
Hydrochloride

>  <URL> (234)
http://www.selleckchem.com/products/FTY720.html

$$$$
CP-690550 citrate.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (235)
235

>  <Formula> (235)
C22H28N6O8

>  <MolWeight> (235)
504.49312

>  <Cat> (235)
S5001

>  <Name> (235)
Tofacitinib citrate (CP-690550 citrate)

>  <Synonyms> (235)
N/A 

>  <Target> (235)
JAK

>  <Form> (235)
Citrate

>  <CAS> (235)
540737-29-9

>  <URL> (235)
http://www.selleckchem.com/products/CP-690550.html

$$$$
CAL-1011.cdx
csChFnd80/09132309312D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (236)
236

>  <Formula> (236)
C22H18FN7O

>  <MolWeight> (236)
415.4230232

>  <Cat> (236)
S2226

>  <Name> (236)
CAL-101 (GS-1101)

>  <Synonyms> (236)
CAL101

>  <Target> (236)
PI3K 

>  <Form> (236)
Free Base

>  <CAS> (236)
870281-82-6

>  <URL> (236)
http://www.selleckchem.com/products/CAL-101.html

$$$$
BI 6727.cdx
csChFnd80/09132309312D

 45 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (237)
237

>  <Formula> (237)
C34H50N8O3

>  <MolWeight> (237)
618.8126

>  <Cat> (237)
S2235

>  <Name> (237)
BI6727 (Volasertib)

>  <Synonyms> (237)
N/A 

>  <Target> (237)
PLK 

>  <Form> (237)
Free Base

>  <CAS> (237)
755038-65-4

>  <URL> (237)
http://www.selleckchem.com/products/BI6727-Volasertib.html

$$$$
PIK-294.cdx
csChFnd80/09132309312D

 37 42  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (238)
238

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C28H23N7O2

>  <MolWeight> (238)
489.52792

>  <Cat> (238)
S2227

>  <Name> (238)
PIK-294

>  <Synonyms> (238)
N/A 

>  <Target> (238)
PI3K 

>  <Form> (238)
Free Base

>  <CAS> (238)
900185-02-6

>  <URL> (238)
http://www.selleckchem.com/products/PIK-294.html

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/09132309312D

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>  <Mol_ID> (239)
239

>  <Formula> (239)
C20H16ClN5O3

>  <MolWeight> (239)
409.82574

>  <Cat> (239)
S2231

>  <Name> (239)
Telatinib (BAY 57-9352)

>  <Synonyms> (239)
N/A 

>  <Target> (239)
VEGFR, PDGFR, c-Kit

>  <Form> (239)
Free Base

>  <CAS> (239)
332012-40-5

>  <URL> (239)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (240)
240

>  <Formula> (240)
C10H16ClN5

>  <MolWeight> (240)
241.72054

>  <Cat> (240)
S2542

>  <Name> (240)
Phenformin hydrochloride 

>  <Synonyms> (240)
N/A

>  <Target> (240)
AMPK

>  <Form> (240)
Hydrochloride 

>  <CAS> (240)
834-28-6

>  <URL> (240)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
AZD5438.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (241)
241

>  <Formula> (241)
C18H21N5O2S

>  <MolWeight> (241)
371.45664

>  <Cat> (241)
S2621

>  <Name> (241)
AZD5438

>  <Synonyms> (241)
N/A 

>  <Target> (241)
CDK

>  <Form> (241)
Free Base

>  <CAS> (241)
602306-29-6 

>  <URL> (241)
http://www.selleckchem.com/products/AZD5438.html

$$$$
OSI-027.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (242)
242

>  <Formula> (242)
C21H22N6O3

>  <MolWeight> (242)
406.43778

>  <Cat> (242)
S2624

>  <Name> (242)
OSI-027

>  <Synonyms> (242)
N/A 

>  <Target> (242)
mTOR

>  <Form> (242)
Free Base

>  <CAS> (242)
936890-98-1

>  <URL> (242)
http://www.selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/09132309312D

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 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (243)
243

>  <Formula> (243)
C17H17N7

>  <MolWeight> (243)
319.36378

>  <Cat> (243)
S2622

>  <Name> (243)
PP-121

>  <Synonyms> (243)
N/A

>  <Target> (243)
DNA-PK, mTOR, PDGF

>  <Form> (243)
Free Base

>  <CAS> (243)
1092788-83-4

>  <URL> (243)
http://www.selleckchem.com/products/PP121.html

$$$$
WP1130.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (244)
244

>  <Formula> (244)
C19H18BrN3O

>  <MolWeight> (244)
384.26972

>  <Cat> (244)
S2243

>  <Name> (244)
Degrasyn (WP1130)

>  <Synonyms> (244)
N/A

>  <Target> (244)
DUB, Bcr-Abl

>  <Form> (244)
Free Base

>  <CAS> (244)
856243-80-6

>  <URL> (244)
http://www.selleckchem.com/products/WP1130.html

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (245)
245

>  <Formula> (245)
C11H18ClNO3

>  <MolWeight> (245)
247.71852

>  <Cat> (245)
S2566

>  <Name> (245)
Isoprenaline hydrochloride

>  <Synonyms> (245)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (245)
Adrenergic Receptor

>  <Form> (245)
Hydrochloride

>  <CAS> (245)
51-30-9

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

$$$$
BKM-120.cdx
csChFnd80/09132309312D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (246)
246

>  <Formula> (246)
C18H21F3N6O2

>  <MolWeight> (246)
410.3935496

>  <Cat> (246)
S2247

>  <Name> (246)
BKM120 (NVP-BKM120)

>  <Synonyms> (246)
N/A 

>  <Target> (246)
PI3K

>  <Form> (246)
Free Base

>  <CAS> (246)
944396-07-0

>  <URL> (246)
http://www.selleckchem.com/products/BKM-120.html

$$$$
CX-4945.cdx
csChFnd80/09132309312D

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700874-72-2

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>  <Synonyms> (258)
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>  <Target> (258)
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>  <Form> (258)
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>  <CAS> (258)
1234703-40-2

>  <URL> (258)
http://www.selleckchem.com/products/ly2608204.html

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>  <Target> (259)
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>  <Form> (259)
Benzenesulfonic

>  <CAS> (259)
939791-38-5

>  <URL> (259)
http://www.selleckchem.com/products/pf-00562271.html

$$$$
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c-Met

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477575-56-7

>  <URL> (269)
http://www.selleckchem.com/products/PHA-665752.html

$$$$
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HSP

>  <Form> (270)
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>  <CAS> (270)
30562-34-6

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

$$$$
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>  <Formula> (279)
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>  <Synonyms> (279)
N/A 

>  <Target> (279)
mTOR, PI3K

>  <Form> (279)
Free Base

>  <CAS> (279)
1032754-93-0

>  <URL> (279)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

$$$$
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csChFnd80/09132309312D

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>  <Mol_ID> (280)
280

>  <Formula> (280)
C21H21Cl2NO5

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>  <Cat> (280)
S2679

>  <Name> (280)
Flavopiridol (Alvocidib) HCl

>  <Synonyms> (280)
N/A

>  <Target> (280)
CDK

>  <Form> (280)
Hydrochloride

>  <CAS> (280)
131740-09-5

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

$$$$
PH797804.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (281)
281

>  <Formula> (281)
C22H19BrF2N2O3

>  <MolWeight> (281)
477.2986664

>  <Cat> (281)
S2726

>  <Name> (281)
PH-797804

>  <Synonyms> (281)
N/A

>  <Target> (281)
p38 MAPK

>  <Form> (281)
Free Base

>  <CAS> (281)
586379-66-0

>  <URL> (281)
http://www.selleckchem.com/products/ph-797804.html

$$$$
PF299804.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (282)
282

>  <Formula> (282)
C24H25ClFN5O2

>  <MolWeight> (282)
469.9390032

>  <Cat> (282)
S2727

>  <Name> (282)
Dacomitinib (PF299804, PF-00299804)

>  <Synonyms> (282)
N/A

>  <Target> (282)
EGFR

>  <Form> (282)
Free Base

>  <CAS> (282)
1110813-31-4

>  <URL> (282)
http://www.selleckchem.com/products/pf299804.html

$$$$
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csChFnd80/09132309312D

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M  END
>  <Mol_ID> (287)
287

>  <Formula> (287)
C26H29N5O2

>  <MolWeight> (287)
443.54076

>  <Cat> (287)
S2730

>  <Name> (287)
Crenolanib (CP-868596)

>  <Synonyms> (287)
N/A 

>  <Target> (287)
PDGFR

>  <Form> (287)
Free Base

>  <CAS> (287)
670220-88-9

>  <URL> (287)
http://www.selleckchem.com/products/crenolanib-cp-868596.html

$$$$
AG-1478.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (288)
288

>  <Formula> (288)
C16H14ClN3O2

>  <MolWeight> (288)
315.75426

>  <Cat> (288)
S2728

>  <Name> (288)
AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (288)
Tyrphostin AG-1478

>  <Target> (288)
EGFR

>  <Form> (288)
Free Base

>  <CAS> (288)
153436-53-4

>  <URL> (288)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
PF-04691502.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (289)
289

>  <Formula> (289)
C22H27N5O4

>  <MolWeight> (289)
425.48088

>  <Cat> (289)
S2743

>  <Name> (289)
PF-04691502

>  <Synonyms> (289)
N/A

>  <Target> (289)
mTOR, PI3K, Akt

>  <Form> (289)
Free Base

>  <CAS> (289)
1013101-36-4 

>  <URL> (289)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Benidipine hydrochloride.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (290)
290

>  <Formula> (290)
C28H32ClN3O6

>  <MolWeight> (290)
542.02318

>  <Cat> (290)
S2017

>  <Name> (290)
Benidipine hydrochloride

>  <Synonyms> (290)
N/A

>  <Target> (290)
calcium channel

>  <Form> (290)
Hydrochloride

>  <CAS> (290)
91599-74-5

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

$$$$
Lonidamine.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (291)
291

>  <Formula> (291)
C15H10Cl2N2O2

>  <MolWeight> (291)
321.1581

>  <Cat> (291)
S2610

>  <Name> (291)
Lonidamine

>  <Synonyms> (291)
N/A

>  <Target> (291)
Others

>  <Form> (291)
Free Base

>  <CAS> (291)
50264-69-2

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

$$$$
CP 673451.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (292)
292

>  <Formula> (292)
C24H27N5O2

>  <MolWeight> (292)
417.50348

>  <Cat> (292)
S1536

>  <Name> (292)
CP 673451

>  <Synonyms> (292)
CP673451 

>  <Target> (292)
Others

>  <Form> (292)
Free Base

>  <CAS> (292)
343787-29-1

>  <URL> (292)
http://www.selleckchem.com/products/CP-673451.html

$$$$
Acarbose.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (293)
293

>  <Formula> (293)
C25H43NO18

>  <MolWeight> (293)
645.60482

>  <Cat> (293)
S1271

>  <Name> (293)
Acarbose

>  <Synonyms> (293)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (293)
Others

>  <Form> (293)
Free Base

>  <CAS> (293)
56180-94-0

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

$$$$
ALPHACAINE (lidocaine).cdx
csChFnd80/09132309312D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (294)
294

>  <Formula> (294)
C14H22N2O

>  <MolWeight> (294)
234.33728

>  <Cat> (294)
S1357

>  <Name> (294)
Lidocaine (Alphacaine)

>  <Synonyms> (294)
Alphacaine, Xylocaine, lignocaine

>  <Target> (294)
Histamine Receptor

>  <Form> (294)
Free Base

>  <CAS> (294)
137-58-6

>  <URL> (294)
http://www.selleckchem.com/products/Lidocaine.html

$$$$
PHA.cdx
csChFnd80/09132309312D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (295)
295

>  <Formula> (295)
C12H11N3O

>  <MolWeight> (295)
213.23524

>  <Cat> (295)
S2742

>  <Name> (295)
PHA-767491

>  <Synonyms> (295)
N/A 

>  <Target> (295)
CDK

>  <Form> (295)
Free Base

>  <CAS> (295)
845714-00-3

>  <URL> (295)
http://www.selleckchem.com/products/pha-767491.html

$$$$
Sodium salicylate.cdx
csChFnd80/09132309312D

 11 10  0  0  0  0  0  0  0  0999 V2000
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    4.2000    2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.4481    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  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (296)
296

>  <Formula> (296)
C7H6NaO3

>  <MolWeight> (296)
161.11051

>  <Cat> (296)
S3137

>  <Name> (296)
Sodium salicylate

>  <Synonyms> (296)
N/A 

>  <Target> (296)
NF-¦ÊB

>  <Form> (296)
sodium salt

>  <CAS> (296)
54-21-7

>  <URL> (296)
http://www.selleckchem.com/products/sodium-salicylate.html

$$$$
TPCA-1.cdx
csChFnd80/09132309312D

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N/A

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JAK, EGFR

>  <Form> (306)
Free Base

>  <CAS> (306)
211555-04-3

>  <URL> (306)
http://www.selleckchem.com/products/whi-p154.html

$$$$
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Schisandrin B

>  <Synonyms> (307)
N/A

>  <Target> (307)
Others

>  <Form> (307)
Free Base

>  <CAS> (307)
61281-37-6

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

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IKK-16.cdx
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>  <MolWeight> (308)
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IKK-16

>  <Synonyms> (308)
N/A

>  <Target> (308)
IKK

>  <Form> (308)
Free Base

>  <CAS> (308)
873225-46-8

>  <URL> (308)
http://www.selleckchem.com/products/ikk-16.html

$$$$
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>  <Form> (309)
Free Base

>  <CAS> (309)
717907-75-0

>  <URL> (309)
http://www.selleckchem.com/products/pf-562271.html

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GW 441756.cdx
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501437-28-1

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10537-47-0

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ZM 323881 HCl

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VEGFR

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Hydrochloride

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193000-39-4

>  <URL> (313)
http://www.selleckchem.com/products/zm-323881-hcl.html

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>  <URL> (314)
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M  END
>  <Mol_ID> (315)
315

>  <Formula> (315)
C17H18N6

>  <MolWeight> (315)
306.36502

>  <Cat> (315)
S2902

>  <Name> (315)
S-Ruxolitinib

>  <Synonyms> (315)
N/A

>  <Target> (315)
JAK

>  <Form> (315)
Free Base

>  <CAS> (315)
941685-37-6

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

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (316)
316

>  <Formula> (316)
C19H21ClFNO3

>  <MolWeight> (316)
365.8263432

>  <Cat> (316)
S3005

>  <Name> (316)
Paroxetine HCl

>  <Synonyms> (316)
N/A

>  <Target> (316)
5-HT Receptor

>  <Form> (316)
Hydrochloride

>  <CAS> (316)
78246-49-8

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

$$$$
PF477736.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (317)
317

>  <Formula> (317)
C22H25N7O2

>  <MolWeight> (317)
419.4796

>  <Cat> (317)
S2904

>  <Name> (317)
PF 477736

>  <Synonyms> (317)
PF-00477736

>  <Target> (317)
Chk

>  <Form> (317)
Free Base

>  <CAS> (317)
952021-60-2

>  <URL> (317)
http://www.selleckchem.com/products/pf-477736.html

$$$$
Go 6983.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (318)
318

>  <Formula> (318)
C26H26N4O3

>  <MolWeight> (318)
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>  <Cat> (318)
S2911

>  <Name> (318)
Go 6983

>  <Synonyms> (318)
N/A

>  <Target> (318)
PKC

>  <Form> (318)
Free Base

>  <CAS> (318)
133053-19-7

>  <URL> (318)
http://www.selleckchem.com/products/go-6983.html

$$$$
PF 573228.cdx
csChFnd80/09132309312D

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>  <Synonyms> (319)
N/A

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FAK

>  <Form> (319)
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    2.0380    4.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (324)
324

>  <Formula> (324)
C10H10N2O2S

>  <MolWeight> (324)
222.2636

>  <Cat> (324)
S2926

>  <Name> (324)
TDZD-8

>  <Synonyms> (324)
N/A

>  <Target> (324)
GSK-3

>  <Form> (324)
Free Base

>  <CAS> (324)
327036-89-5 

>  <URL> (324)
http://www.selleckchem.com/products/tdzd-8.html

$$$$
Melatonin.cdx
csChFnd80/09132309312D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.0927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2894    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3262    0.7734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5795    3.0716    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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  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (325)
325

>  <Formula> (325)
C13H16N2O2

>  <MolWeight> (325)
232.27834

>  <Cat> (325)
S1204

>  <Name> (325)
Melatonin

>  <Synonyms> (325)
Melatonex

>  <Target> (325)
MT Receptor

>  <Form> (325)
Free Base

>  <CAS> (325)
73-31-4

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

$$$$
H-89.cdx
csChFnd80/09132309312D

 29 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.1058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.2082    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
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 11 12  1  0  0  0  0
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 17 18  1  0  0  0  0
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 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 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
M  END
>  <Mol_ID> (326)
326

>  <Formula> (326)
C20H22BrCl2N3O2S

>  <MolWeight> (326)
519.28258

>  <Cat> (326)
S1582

>  <Name> (326)
H 89 2HCl

>  <Synonyms> (326)
N/A

>  <Target> (326)
S6 Kinase

>  <Form> (326)
Dihydrochloride

>  <CAS> (326)
130964-39-5

>  <URL> (326)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

$$$$
Oxfendazole.cdx
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6331    1.3951    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4927    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 C   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
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    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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  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 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 14  2  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (327)
327

>  <Formula> (327)
C15H13N3O3S

>  <MolWeight> (327)
315.34702

>  <Cat> (327)
S1830

>  <Name> (327)
Oxfendazole

>  <Synonyms> (327)
N/A

>  <Target> (327)
Antifection

>  <Form> (327)
Free Base

>  <CAS> (327)
53716-50-0

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

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/09132309312D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    1.3976    0.0000 O   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
    6.0538    1.3951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 18 19  2  0  0  0  0
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 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (328)
328

>  <Formula> (328)
C18H23Cl2NO

>  <MolWeight> (328)
340.28732

>  <Cat> (328)
S2499

>  <Name> (328)
Phenoxybenzamine HCl

>  <Synonyms> (328)
N/A

>  <Target> (328)
Androgen Receptor

>  <Form> (328)
HCl

>  <CAS> (328)
63-92-3

>  <URL> (328)
http://www.selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

$$$$
Pazopanib.cdx
csChFnd80/09132309312D

 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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Pazopanib

>  <Synonyms> (329)
N/A

>  <Target> (329)
VEGFR

>  <Form> (329)
Free Base

>  <CAS> (329)
444731-52-6

>  <URL> (329)
http://www.selleckchem.com/products/pazopanib.html

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>  <Formula> (330)
C10H9NO2S

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BAY 11-7082 (BAY 11-7821)

>  <Synonyms> (330)
N/A

>  <Target> (330)
I¦ÊB/IKK

>  <Form> (330)
Free Base

>  <CAS> (330)
19542-67-7

>  <URL> (330)
http://www.selleckchem.com/products/bay-11-7082-bay-11-7821.html

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GNF-2.cdx
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>  <Mol_ID> (331)
331

>  <Formula> (331)
C18H13F3N4O2

>  <MolWeight> (331)
374.3166296

>  <Cat> (331)
S2899

>  <Name> (331)
GNF-2

>  <Synonyms> (331)
N/A

>  <Target> (331)
Bcr-Abl

>  <Form> (331)
Free Base

>  <CAS> (331)
778270-11-4

>  <URL> (331)
http://www.selleckchem.com/products/gnf-2.html

$$$$
OSI-906.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (332)
332

>  <Formula> (332)
C26H23N5O

>  <MolWeight> (332)
421.49372

>  <Cat> (332)
S1091

>  <Name> (332)
OSI-906 (Linsitinib)

>  <Synonyms> (332)
N/A

>  <Target> (332)
IGF-1R

>  <Form> (332)
Free Base

>  <CAS> (332)
867160-71-2

>  <URL> (332)
http://www.selleckchem.com/products/OSI-906.html

$$$$
aicar.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (333)
333

>  <Formula> (333)
C9H14N4O5

>  <MolWeight> (333)
258.23126

>  <Cat> (333)
S1802

>  <Name> (333)
AICAR (Acadesine)

>  <Synonyms> (333)
AICAR, AICA-riboside

>  <Target> (333)
AMPK

>  <Form> (333)
Free Base

>  <CAS> (333)
2627-69-2

>  <URL> (333)
http://www.selleckchem.com/products/Acadesine.html

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/09132309312D

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334

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C32H30FN3O10

>  <MolWeight> (334)
635.5931032

>  <Cat> (334)
S4001

>  <Name> (334)
Cabozantinib malate

>  <Synonyms> (334)
N/A

>  <Target> (334)
VEGFR

>  <Form> (334)
Malate

>  <CAS> (334)
1140909-48-3

>  <URL> (334)
http://www.selleckchem.com/products/cabozantinib-malate.html

$$$$
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>  <Mol_ID> (335)
335

>  <Formula> (335)
C19H21F3N6

>  <MolWeight> (335)
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>  <Cat> (335)
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>  <Name> (335)
PF-4708671

>  <Synonyms> (335)
PF-04708671

>  <Target> (335)
S6 Kinase

>  <Form> (335)
Free Base

>  <CAS> (335)
1255517-76-0

>  <URL> (335)
http://www.selleckchem.com/products/pf-4708671.html

$$$$
SL327.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (336)
336

>  <Formula> (336)
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>  <MolWeight> (336)
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>  <Cat> (336)
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>  <Synonyms> (336)
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>  <Target> (336)
MEK

>  <Form> (336)
Free Base

>  <CAS> (336)
305350-87-2

>  <URL> (336)
http://www.selleckchem.com/products/SL327.html

$$$$
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>  <Formula> (337)
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Sennoside B

>  <Synonyms> (337)
N/A

>  <Target> (337)
Others

>  <Form> (337)
Free Base

>  <CAS> (337)
128-57-4

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

$$$$
JNK-IN-8.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (338)
338

>  <Formula> (338)
C29H29N7O2

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>  <Name> (338)
JNK-IN-8

>  <Synonyms> (338)
N/A

>  <Target> (338)
Free Base

>  <Form> (338)
Free Base

>  <CAS> (338)
1410880-22-6

>  <URL> (338)
http://www.selleckchem.com/products/jnk-in-8.html

$$$$
SC-514.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (339)
339

>  <Formula> (339)
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>  <MolWeight> (339)
224.30262

>  <Cat> (339)
S4907

>  <Name> (339)
SC-514 

>  <Synonyms> (339)
N/A

>  <Target> (339)
I¦ÊB/IKK

>  <Form> (339)
Free Base

>  <CAS> (339)
354812-17-2

>  <URL> (339)
http://www.selleckchem.com/products/sc-514.html

$$$$
Doxapram HCl.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (340)
340

>  <Formula> (340)
C24H33ClN2O3

>  <MolWeight> (340)
432.98342

>  <Cat> (340)
S4037

>  <Name> (340)
Doxapram HCl

>  <Synonyms> (340)
N/A

>  <Target> (340)
Potassium Channel

>  <Form> (340)
HCl

>  <CAS> (340)
7081-53-0

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

$$$$
nifuroxazide.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (341)
341

>  <Formula> (341)
C12H9N3O5

>  <MolWeight> (341)
275.21696

>  <Cat> (341)
S4182

>  <Name> (341)
Nifuroxazide

>  <Synonyms> (341)
N/A

>  <Target> (341)
STAT

>  <Form> (341)
Free Base

>  <CAS> (341)
965-52-6

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

$$$$
MDBN.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (342)
342

>  <Formula> (342)
C9H7NO4

>  <MolWeight> (342)
193.15618

>  <Cat> (342)
S4921

>  <Name> (342)
MNS (3,4-Methylenedioxy-¦Â-nitrostyrene)

>  <Synonyms> (342)
N/A

>  <Target> (342)
Tyrosinase,p97,Syk,Src

>  <Form> (342)
Free Base

>  <CAS> (342)
1485-00-3

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

$$$$
VX-745.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (343)
343

>  <Formula> (343)
C19H9Cl2F2N3OS

>  <MolWeight> (343)
436.2620664

>  <Cat> (343)
S1458

>  <Name> (343)
VX-745

>  <Synonyms> (343)
N/A

>  <Target> (343)
p38 MAPK 

>  <Form> (343)
Free Base

>  <CAS> (343)
209410-46-8

>  <URL> (343)
http://www.selleckchem.com/products/VX-745.html

$$$$
untitled.cdx
csChFnd80/09132309312D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (344)
344

>  <Formula> (344)
C13H16N6O4

>  <MolWeight> (344)
320.30394

>  <Cat> (344)
S1117

>  <Name> (344)
Triciribine

>  <Synonyms> (344)
N/A

>  <Target> (344)
Akt

>  <Form> (344)
Free Base

>  <CAS> (344)
35943-35-2

>  <URL> (344)
http://www.selleckchem.com/products/Triciribine.html

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C15H12O7

>  <MolWeight> (345)
304.25158

>  <Cat> (345)
S2366

>  <Name> (345)
Taxifolin (Dihydroquercetin)

>  <Synonyms> (345)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (345)
VEGFR

>  <Form> (345)
Free Base

>  <CAS> (345)
480-18-2

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

$$$$
Flufenamic acid.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (346)
346

>  <Formula> (346)
C14H10F3NO2

>  <MolWeight> (346)
281.2299096

>  <Cat> (346)
S4268

>  <Name> (346)
Flufenamic acid

>  <Synonyms> (346)
N/A

>  <Target> (346)
COX

>  <Form> (346)
Free Base

>  <CAS> (346)
530-78-9

>  <URL> (346)
http://www.selleckchem.com/products/flufenamic-acid.html

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/09132309312D

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>  <Mol_ID> (347)
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>  <Formula> (347)
C19H20F3IN2O5S

>  <MolWeight> (347)
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>  <Cat> (347)
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>  <Name> (347)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (347)
BAY 869766

>  <Target> (347)
MEK

>  <Form> (347)
Free Base

>  <CAS> (347)
923032-37-5

>  <URL> (347)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
Dicoumarol.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (348)
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>  <Formula> (348)
C19H12O6

>  <MolWeight> (348)
336.29498

>  <Cat> (348)
S4299

>  <Name> (348)
Dicoumarol

>  <Synonyms> (348)
Dicumarol

>  <Target> (348)
Others

>  <Form> (348)
Free Base

>  <CAS> (348)
66-76-2

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

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/09132309312D

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>  <Mol_ID> (349)
349

>  <Formula> (349)
C24H25ClFN5O3

>  <MolWeight> (349)
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>  <Cat> (349)
S1011

>  <Name> (349)
Afatinib (BIBW2992)

>  <Synonyms> (349)
N/A

>  <Target> (349)
EGFR

>  <Form> (349)
Free Base

>  <CAS> (349)
439081-18-2

>  <URL> (349)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/09132309312D

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>  <Mol_ID> (350)
350

>  <Formula> (350)
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>  <MolWeight> (350)
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>  <Cat> (350)
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>  <Name> (350)
Tacrolimus (FK506)

>  <Synonyms> (350)
FR900506

>  <Target> (350)
mTOR

>  <Form> (350)
Free Base

>  <CAS> (350)
104987-11-3

>  <URL> (350)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
R-Ruxolitinib.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (351)
351

>  <Formula> (351)
C17H18N6

>  <MolWeight> (351)
306.36502

>  <Cat> (351)
S1378

>  <Name> (351)
Ruxolitinib (INCB018424)

>  <Synonyms> (351)
N/A

>  <Target> (351)
JAK

>  <Form> (351)
Free Base

>  <CAS> (351)
941678-49-5

>  <URL> (351)
http://www.selleckchem.com/products/INCB18424.html

$$$$
Temsirolimus.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (352)
352

>  <Formula> (352)
C56H87NO16

>  <MolWeight> (352)
1030.28708

>  <Cat> (352)
S1044

>  <Name> (352)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (352)
N/A

>  <Target> (352)
mTOR

>  <Form> (352)
Free Base

>  <CAS> (352)
162635-04-3

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

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (353)
353

>  <Formula> (353)
C25H31N7O6

>  <MolWeight> (353)
525.55694

>  <Cat> (353)
S2018

>  <Name> (353)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (353)
N/A

>  <Target> (353)
FLT3

>  <Form> (353)
Free Base

>  <CAS> (353)
1291074-87-7

>  <URL> (353)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
PF-2341066.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (354)
354

>  <Formula> (354)
C21H22Cl2FN5O

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>  <Cat> (354)
S1068

>  <Name> (354)
Crizotinib (PF-02341066)

>  <Synonyms> (354)
N/A 

>  <Target> (354)
c-Met, ALK

>  <Form> (354)
Free Base

>  <CAS> (354)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (354)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
BMS-599626 (AC480).cdx
csChFnd80/09132309312D

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>  <Mol_ID> (355)
355

>  <Formula> (355)
C27H27FN8O3

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S1056

>  <Name> (355)
AC480 (BMS-599626)

>  <Synonyms> (355)
N/A

>  <Target> (355)
HER2

>  <Form> (355)
Free Base

>  <CAS> (355)
714971-09-2

>  <URL> (355)
http://www.selleckchem.com/products/BMS-599626.html

$$$$
S1263.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (356)
356

>  <Formula> (356)
C22H18Cl2N8

>  <MolWeight> (356)
465.33792

>  <Cat> (356)
S1263

>  <Name> (356)
CHIR-99021 (CT99021)

>  <Synonyms> (356)
N/A

>  <Target> (356)
GSK-3

>  <Form> (356)
Free Base

>  <CAS> (356)
252917-06-9

>  <URL> (356)
http://www.selleckchem.com/products/CHIR-99021.html

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (357)
357

>  <Formula> (357)
C21H20ClNO5

>  <MolWeight> (357)
401.8402

>  <Cat> (357)
S1230

>  <Name> (357)
Flavopiridol (Alvocidib)

>  <Synonyms> (357)
NSC 649890 HCl,HMR-1275

>  <Target> (357)
CDK

>  <Form> (357)
Free Base

>  <CAS> (357)
146426-40-6

>  <URL> (357)
http://www.selleckchem.com/products/Flavopiridol.html

$$$$
6-Benzylaminopurine.cdx
csChFnd80/09132309312D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    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
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    2.5326    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  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
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (358)
358

>  <Formula> (358)
C12H11N5

>  <MolWeight> (358)
225.24924

>  <Cat> (358)
S4511

>  <Name> (358)
6-Benzylaminopurine

>  <Synonyms> (358)
N/A

>  <Target> (358)
Others

>  <Form> (358)
Free Base

>  <CAS> (358)
1214-39-7

>  <URL> (358)
http://www.selleckchem.com/products/6-benzylaminopurine.html

$$$$

csChFnd80/09132309312D

 20 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 Li  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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    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
    6.0622    0.0000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9710   28.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2488   28.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1099   18.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3877   18.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 16  2  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (359)
359

>  <Formula> (359)
C6H13Li3O11

>  <MolWeight> (359)
281.98382

>  <Cat> (359)
S4519

>  <Name> (359)
Citric acid trilithium salt tetrahydrate

>  <Synonyms> (359)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (359)
Others

>  <Form> (359)
Free Base

>  <CAS> (359)
6080-58-6

>  <URL> (359)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

$$$$
Danthron.cdx
csChFnd80/09132309312D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4399    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C14H8O4

>  <MolWeight> (360)
240.21092

>  <Cat> (360)
S4561

>  <Name> (360)
Danthron

>  <Synonyms> (360)
chrysazin, Antrapurol

>  <Target> (360)
Others

>  <Form> (360)
Free Base

>  <CAS> (360)
117-10-2

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

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/09132309312D

 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
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 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> (361)
361

>  <Formula> (361)
C14H23ClN2O

>  <MolWeight> (361)
270.79822

>  <Cat> (361)
S4667

>  <Name> (361)
Lidocaine hydrochloride

>  <Synonyms> (361)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (361)
Others

>  <Form> (361)
hydrochloride

>  <CAS> (361)
73-78-9

>  <URL> (361)
http://www.selleckchem.com/products/lidocaine-hydrochloride.html

$$$$
S4711 Esculetin.cdx
csChFnd80/09132309312D

 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
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  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> (362)
362

>  <Formula> (362)
C9H6O4

>  <MolWeight> (362)
178.14154

>  <Cat> (362)
S4711

>  <Name> (362)
Esculetin

>  <Synonyms> (362)
Cichorigenin|Aesculetin

>  <Target> (362)
Others

>  <Form> (362)
Free Base

>  <CAS> (362)
305-01-1

>  <URL> (362)
http://www.selleckchem.com/products/esculetin.html

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/09132309312D

 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> (363)
363

>  <Formula> (363)
C6H12O5

>  <MolWeight> (363)
164.15648

>  <Cat> (363)
S4701

>  <Name> (363)
2-Deoxy-D-glucose

>  <Synonyms> (363)
2-deoxyglucose, NSC 15193

>  <Target> (363)
Others

>  <Form> (363)
Free Base

>  <CAS> (363)
154-17-6

>  <URL> (363)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/09132309312D

 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
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364

>  <Formula> (364)
C21H26ClN3OS

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>  <Cat> (364)
S4731

>  <Name> (364)
Perphenazine

>  <Synonyms> (364)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (364)
Dopamine Receptor

>  <Form> (364)
Free Base

>  <CAS> (364)
58-39-9

>  <URL> (364)
http://www.selleckchem.com/products/perphenazine.html

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>  <Mol_ID> (365)
365

>  <Formula> (365)
C20H30N4O2

>  <MolWeight> (365)
358.4778

>  <Cat> (365)
S1024

>  <Name> (365)
LTI-291

>  <Synonyms> (365)
N/A

>  <Target> (365)
Others

>  <Form> (365)
Free Base

>  <CAS> (365)
1919820-28-2

>  <URL> (365)
http://www.selleck.cn/products/lti-291.html

$$$$
S4736 Trapidil.cdx
csChFnd80/09132309312D

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366

>  <Formula> (366)
C10H15N5

>  <MolWeight> (366)
205.2596

>  <Cat> (366)
S4736

>  <Name> (366)
Trapidil

>  <Synonyms> (366)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (366)
PDGFR

>  <Form> (366)
Free Base

>  <CAS> (366)
15421-84-8

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

$$$$
S4743 Wogonin.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (367)
367

>  <Formula> (367)
C16H12O5

>  <MolWeight> (367)
284.26348

>  <Cat> (367)
S4743

>  <Name> (367)
Wogonin

>  <Synonyms> (367)
Vogonin

>  <Target> (367)
CDK

>  <Form> (367)
Free Base

>  <CAS> (367)
632-85-9

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

$$$$
NS-187.cdx
csChFnd80/09132309312D

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368

>  <Formula> (368)
C30H31F3N8O

>  <MolWeight> (368)
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>  <Cat> (368)
S1369

>  <Name> (368)
Bafetinib (INNO-406)

>  <Synonyms> (368)
NS-187

>  <Target> (368)
Abl,Lyn

>  <Form> (368)
Free Base

>  <CAS> (368)
859212-16-1

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

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C37H42Cl2N2O6

>  <MolWeight> (369)
681.64518

>  <Cat> (369)
S3609

>  <Name> (369)
Berbamine (dihydrochloride)

>  <Synonyms> (369)
N/A

>  <Target> (369)
NF-¦ÊB,bcr/abl

>  <Form> (369)
dihydrochloride

>  <CAS> (369)
6078-17-7

>  <URL> (369)
http://www.selleckchem.com/products/berbamine-dihydrochloride.html

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/09132309312D

 26 27  0  0  0  0  0  0  0  0999 V2000
   10.9118    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1346    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.1905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3366    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5501    2.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9118    6.2905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5549    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (370)
370

>  <Formula> (370)
C18H16O8

>  <MolWeight> (370)
360.31484

>  <Cat> (370)
S3612

>  <Name> (370)
Rosmarinic acid

>  <Synonyms> (370)
Rosemary acid

>  <Target> (370)
IKK ¦Â

>  <Form> (370)
free base

>  <CAS> (370)
20283-92-5

>  <URL> (370)
http://www.selleckchem.com/products/rosmarinic-acid.html

$$$$
S3606 Fangchinoline.cdx
csChFnd80/09132309312D

 45 51  0  0  0  0  0  0  0  0999 V2000
    2.4346    8.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2048    8.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2048   10.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0330   10.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3874    6.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3443    8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2414   10.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    5.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5568    7.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0959    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
  1  3  1  0  0  0  0
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  2  6  2  0  0  0  0
  3  7  1  1  0  0  0
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 29 34  1  1  0  0  0
 29 35  1  0  0  0  0
 31 36  1  0  0  0  0
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 33 38  1  0  0  0  0
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 35 40  1  0  0  0  0
 35 38  1  0  0  0  0
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M  END
>  <Mol_ID> (371)
371

>  <Formula> (371)
C37H40N2O6

>  <MolWeight> (371)
608.7233

>  <Cat> (371)
S3606

>  <Name> (371)
Fangchinoline

>  <Synonyms> (371)
N/A

>  <Target> (371)
HIV-1

>  <Form> (371)
free base

>  <CAS> (371)
33889-68-8

>  <URL> (371)
http://www.selleckchem.com/products/fangchinoline.html

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/09132309312D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    3.5111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2319    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6177    4.2223    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
M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C4H7NO2

>  <MolWeight> (372)
101.10388

>  <Cat> (372)
S3699

>  <Name> (372)
2,3-Butanedione-2-monoxime

>  <Synonyms> (372)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (372)
skeletal muscle myosin-II

>  <Form> (372)
free base

>  <CAS> (372)
57-71-6

>  <URL> (372)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/09132309312D

 70 77  0  0  0  0  0  0  0  0999 V2000
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   10.6611   15.0858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8879   13.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1895   13.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0965   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4433   14.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   16.4799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   12.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3940   12.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2955   14.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2257   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8879   17.1864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C48H78O19

>  <MolWeight> (373)
959.12152

>  <Cat> (373)
S3616

>  <Name> (373)
Asiaticoside

>  <Synonyms> (373)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (373)
Others

>  <Form> (373)
free base

>  <CAS> (373)
16830-15-2

>  <URL> (373)
http://www.selleckchem.com/products/asiaticoside.html

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (374)
374

>  <Formula> (374)
C37H40N2O6

>  <MolWeight> (374)
608.7233

>  <Cat> (374)
S3611

>  <Name> (374)
(+)-Fangchinoline

>  <Synonyms> (374)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (374)
Others

>  <Form> (374)
free base

>  <CAS> (374)
436-77-1

>  <URL> (374)
http://www.selleckchem.com/products/s-s-fangchinoline.html

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/09132309312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (375)
375

>  <Formula> (375)
C15H18O2

>  <MolWeight> (375)
230.30222

>  <Cat> (375)
S3615

>  <Name> (375)
Dehydrocostus Lactone

>  <Synonyms> (375)
N/A

>  <Target> (375)
 IKK¦Â

>  <Form> (375)
free base

>  <CAS> (375)
477-43-0

>  <URL> (375)
http://www.selleckchem.com/products/dehydrocostus-lactone.html

$$$$
S3610 Cordycepin.cdx
csChFnd80/09132309312D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    1.1289    3.6176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2832    2.9247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8813    7.6513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4267    7.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6450    5.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1289    2.2177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.4267    9.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1498    0.0000    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
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C10H13N5O3

>  <MolWeight> (376)
251.24192

>  <Cat> (376)
S3610

>  <Name> (376)
Cordycepin

>  <Synonyms> (376)
N/A

>  <Target> (376)
Others

>  <Form> (376)
free base

>  <CAS> (376)
73-03-0

>  <URL> (376)
http://www.selleckchem.com/products/cordycepin.html

$$$$
S3626 Sesamol.cdx
csChFnd80/09132309312D

 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
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    4.9693    2.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (377)
377

>  <Formula> (377)
C7H6O3

>  <MolWeight> (377)
138.12074

>  <Cat> (377)
S3626

>  <Name> (377)
Sesamol

>  <Synonyms> (377)
1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol

>  <Target> (377)
Others

>  <Form> (377)
free base

>  <CAS> (377)
533-31-3

>  <URL> (377)
http://www.selleckchem.com/products/sesamol.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/09132309312D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (378)
378

>  <Formula> (378)
C11H8O3

>  <MolWeight> (378)
188.17942

>  <Cat> (378)
S3661

>  <Name> (378)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (378)
N/A

>  <Target> (378)
PKC

>  <Form> (378)
free base

>  <CAS> (378)
2348-82-5

>  <URL> (378)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3648 Amlexanox.cdx
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2876    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2876    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4987    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0814    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4987    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    4.2126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7418    2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7423    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9513    2.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9518    0.0044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1578    2.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9513    4.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    2.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    4.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1209    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
  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> (379)
379

>  <Formula> (379)
C16H14N2O4

>  <MolWeight> (379)
298.29336

>  <Cat> (379)
S3648

>  <Name> (379)
Amlexanox

>  <Synonyms> (379)
AA-673, CHX-3673

>  <Target> (379)
TBK1,IKK-¦Å

>  <Form> (379)
free base

>  <CAS> (379)
68302-57-8

>  <URL> (379)
http://www.selleckchem.com/products/amlexanox.html

$$$$
S3666 Ilaprazole.cdx
csChFnd80/09132309312D

 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> (380)
380

>  <Formula> (380)
C19H18N4O2S

>  <MolWeight> (380)
366.43682

>  <Cat> (380)
S3666

>  <Name> (380)
Ilaprazole

>  <Synonyms> (380)
IY-81149

>  <Target> (380)
Proton pump,TOPK 

>  <Form> (380)
free base

>  <CAS> (380)
172152-36-2

>  <URL> (380)
http://www.selleckchem.com/products/ilaprazole.html

$$$$
S3939 4'-Methoxyresveratrol.cdx
csChFnd80/09132309312D

 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> (381)
381

>  <Formula> (381)
C15H14O3

>  <MolWeight> (381)
242.26986

>  <Cat> (381)
S3939

>  <Name> (381)
4'-Methoxyresveratrol

>  <Synonyms> (381)
N/A

>  <Target> (381)
Others

>  <Form> (381)
free base

>  <CAS> (381)
33626-08-3

>  <URL> (381)
http://www.selleckchem.com/products/4-methoxyresveratrol.html

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/09132309312D

 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
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    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
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    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> (382)
382

>  <Formula> (382)
C16H16O4

>  <MolWeight> (382)
272.29584

>  <Cat> (382)
S3940

>  <Name> (382)
3'-Hydroxypterostilbene

>  <Synonyms> (382)
3'-HPT

>  <Target> (382)
Others

>  <Form> (382)
free base

>  <CAS> (382)
475231-21-1

>  <URL> (382)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/09132309312D

 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> (383)
383

>  <Formula> (383)
C18H22O4

>  <MolWeight> (383)
302.36488

>  <Cat> (383)
S3984

>  <Name> (383)
Nordihydroguaiaretic acid

>  <Synonyms> (383)
N/A

>  <Target> (383)
lipoxygenase

>  <Form> (383)
free base

>  <CAS> (383)
500-38-9

>  <URL> (383)
http://www.selleckchem.com/products/nordihydroguaiaretic-acid.html

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/09132309312D

 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> (384)
384

>  <Formula> (384)
C6H13NO4

>  <MolWeight> (384)
163.17172

>  <Cat> (384)
S3839

>  <Name> (384)
1-Deoxynojirimycin

>  <Synonyms> (384)
duvoglustat, moranolin

>  <Target> (384)
¦Á-glucosidase

>  <Form> (384)
free base

>  <CAS> (384)
19130-96-2

>  <URL> (384)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/09132309312D

 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
  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> (385)
385

>  <Formula> (385)
C13H13ClN2O

>  <MolWeight> (385)
248.70812

>  <Cat> (385)
S3817

>  <Name> (385)
Harmine hydrochloride

>  <Synonyms> (385)
telepathine hydrochloride

>  <Target> (385)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (385)
hydrochloride

>  <CAS> (385)
343-27-1

>  <URL> (385)
http://www.selleckchem.com/products/harmine-hydrochloride.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/09132309312D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    4.8534    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    2.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9660    7.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1018    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2136    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
  8 10  1  1  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 18  3  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  2  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
  7 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (386)
386

>  <Formula> (386)
C19H20O5

>  <MolWeight> (386)
328.3591

>  <Cat> (386)
S3819

>  <Name> (386)
Decursinol angelate

>  <Synonyms> (386)
N/A

>  <Target> (386)
PKC

>  <Form> (386)
free base

>  <CAS> (386)
130848-06-5

>  <URL> (386)
http://www.selleckchem.com/products/decursinol-angelate.html

$$$$
S3824 Quercitrin.cdx
csChFnd80/09132309312D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    6.9967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4927    8.3967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.2935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7070    9.0935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2821    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9138    6.9902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9175    8.3902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7107   10.4935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1318    9.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
 12  6  1  1  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  6  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  6  0  0  0
 26 31  1  6  0  0  0
 26 29  1  0  0  0  0
 29 32  1  1  0  0  0
M  END
>  <Mol_ID> (387)
387

>  <Formula> (387)
C21H20O11

>  <MolWeight> (387)
448.3769

>  <Cat> (387)
S3824

>  <Name> (387)
Quercitrin

>  <Synonyms> (387)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (387)
Others

>  <Form> (387)
free base

>  <CAS> (387)
522-12-3

>  <URL> (387)
http://www.selleckchem.com/products/quercitrin.html

$$$$
S3836 6-Gingerol.cdx
csChFnd80/09132309312D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.8540    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4914    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    4.8939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9162    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1287    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3411    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5535    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7660    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    2.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    2.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    4.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (388)
388

>  <Formula> (388)
C17H26O4

>  <MolWeight> (388)
294.38594

>  <Cat> (388)
S3836

>  <Name> (388)
6-Gingerol

>  <Synonyms> (388)
CI-1011

>  <Target> (388)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (388)
free base

>  <CAS> (388)
23513-14-6

>  <URL> (388)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/09132309312D

 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
    8.2155    4.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    3.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6155    4.5793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3918    5.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    5.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    3.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6358    5.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3935    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    1.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    1.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0155    4.5803    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6145    5.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    3.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467    7.3758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    5.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8235    7.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    3.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    1.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3149    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1147    0.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3471    4.6019    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  2  5  2  0  0  0  0
  4  2  1  0  0  0  0
  2  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  4  2  0  0  0  0
 18  4  2  0  0  0  0
 21  5  1  0  0  0  0
  8  6  1  0  0  0  0
 19  6  2  0  0  0  0
  7  8  1  0  0  0  0
 11  7  1  0  0  0  0
  7 10  2  0  0  0  0
 20  8  2  0  0  0  0
 13 10  1  0  0  0  0
 12 11  2  0  0  0  0
 22 11  1  0  0  0  0
 15 12  1  0  0  0  0
 12 14  1  0  0  0  0
 14 13  2  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
 15 23  1  0  0  0  0
 24 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (389)
389

>  <Formula> (389)
C19H17NaO6S

>  <MolWeight> (389)
396.38945

>  <Cat> (389)
S3766

>  <Name> (389)
Tanshinone IIA sulfonate (sodium)

>  <Synonyms> (389)
N/A

>  <Target> (389)
CYP3A4

>  <Form> (389)
sodium salt

>  <CAS> (389)
69659-80-9

>  <URL> (389)
http://www.selleckchem.com/products/tanshinone-iia-sulfonate-sodium.html

$$$$
S3759 Norcantharidin.cdx
csChFnd80/09132309312D

 12 14  0  0  0  0  0  0  0  0999 V2000
    0.2182    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    1.4028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5609    1.7635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5640    3.1635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2213    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.8028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7168    2.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444    3.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4040    4.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (390)
390

>  <Formula> (390)
C8H8O4

>  <MolWeight> (390)
168.14672

>  <Cat> (390)
S3759

>  <Name> (390)
Norcantharidin

>  <Synonyms> (390)
Endothall anhydride

>  <Target> (390)
c-Met,EGFR

>  <Form> (390)
free base

>  <CAS> (390)
29745-04-8

>  <URL> (390)
http://www.selleckchem.com/products/norcantharidin.html

$$$$
S3783 Echinacoside.cdx
csChFnd80/09132309312D

 55 59  0  0  0  0  0  0  0  0999 V2000
    9.7655    7.3069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4955    6.1066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4383    8.5218    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3657    7.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8638    6.1068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7941    4.8950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8689    8.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7397    9.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6719    8.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5767    7.3146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5623    4.8935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4954    3.6771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4391   10.9431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2671    8.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3709    9.7211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9767    7.3129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9113    3.6527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5697    9.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6781    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4788    1.2519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4070    2.4328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6101    2.4449    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3857   13.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0781    8.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9140    1.2133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.0101    2.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6632   14.5702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6199   13.3015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   16.7795    9.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3646   15.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2201   13.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    8.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0639   10.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1807    9.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1055   10.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5804   15.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    9.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3634    7.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8912   10.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7824   12.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1782   12.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2912   10.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
 12  6  1  6  0  0  0
  7 10  1  0  0  0  0
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 10 16  1  1  0  0  0
 12 17  1  0  0  0  0
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 19 13  1  1  0  0  0
 14 20  2  0  0  0  0
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 24 29  1  0  0  0  0
 25 32  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  6  0  0  0
 27 35  1  0  0  0  0
 27 36  2  0  0  0  0
 28 37  1  0  0  0  0
 29 38  1  6  0  0  0
 32 39  1  0  0  0  0
 32 40  1  1  0  0  0
 33 41  1  1  0  0  0
 33 39  1  0  0  0  0
 35 42  2  0  0  0  0
 36 43  1  0  0  0  0
 37 44  2  0  0  0  0
 37 45  1  0  0  0  0
 39 46  1  6  0  0  0
 40 47  1  0  0  0  0
 42 48  1  0  0  0  0
 42 49  1  0  0  0  0
 43 48  2  0  0  0  0
 44 50  1  0  0  0  0
 45 51  2  0  0  0  0
 48 52  1  0  0  0  0
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 51 53  1  0  0  0  0
 53 55  1  0  0  0  0
M  END
>  <Mol_ID> (391)
391

>  <Formula> (391)
C35H46O20

>  <MolWeight> (391)
786.72774

>  <Cat> (391)
S3783

>  <Name> (391)
Echinacoside

>  <Synonyms> (391)
N/A

>  <Target> (391)
Others

>  <Form> (391)
free base

>  <CAS> (391)
82854-37-3

>  <URL> (391)
http://www.selleckchem.com/products/echinacoside.html

$$$$
S3784 Obacunone.cdx
csChFnd80/09132309312D

 35 40  0  0  0  0  0  0  0  0999 V2000
    8.1413    4.1628    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9215    3.4726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3566    3.4726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1413    5.5723    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1413    2.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7113    4.1870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9215    2.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5716    4.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3566    6.2674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9215    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1413    6.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    3.4920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7113    5.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1851    1.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5716    5.5481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8305    3.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3566    7.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    2.0824    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4073    4.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2727    8.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5085    8.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4073    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0415    4.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7733    9.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0953    9.7865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0415    1.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4145    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7113    2.7774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9344    4.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    4.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    0.6824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  5  1  1  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  6  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 30  1  6  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  6  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
  2 31  1  1  0  0  0
 12 32  1  1  0  0  0
 19 33  1  6  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  END
>  <Mol_ID> (392)
392

>  <Formula> (392)
C26H30O7

>  <MolWeight> (392)
454.5122

>  <Cat> (392)
S3784

>  <Name> (392)
Obacunone

>  <Synonyms> (392)
N/A

>  <Target> (392)
Nrf2,Aromatase

>  <Form> (392)
free base

>  <CAS> (392)
751-03-1

>  <URL> (392)
http://www.selleckchem.com/products/obacunone.html

$$$$
S3786 Glabridin.cdx
csChFnd80/09132309312D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.8248    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347    3.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6150    3.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347    4.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347    0.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6150    0.6478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4896    3.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4896    4.8474    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6995    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9144    4.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6995    6.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1241    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9144    3.4476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9144    7.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1241    6.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3392    7.6773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0395    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (393)
393

>  <Formula> (393)
C20H20O4

>  <MolWeight> (393)
324.3704

>  <Cat> (393)
S3786

>  <Name> (393)
Glabridin

>  <Synonyms> (393)
Q-100692, KB-289522, LS-176045

>  <Target> (393)
PPAR¦Ã,¦Á1¦Â2¦Ã2,¦Á1¦Â3¦Ã2,¦Á1¦Â2,¦Á1¦Â1¦Ã2

>  <Form> (393)
free base

>  <CAS> (393)
59870-68-7

>  <URL> (393)
http://www.selleckchem.com/products/glabridin.html

$$$$
S3787 Picroside I.cdx
csChFnd80/09132309312D

 38 42  0  0  0  0  0  0  0  0999 V2000
   15.8873    5.8563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7069    6.9896    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5571    6.2863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.2798    5.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5998    4.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8844    8.1151    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5571    7.6825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3438    5.5857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.3143    9.4475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3495    8.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3438    4.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1261    6.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1468    7.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1282    3.4866    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9238    4.1820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1282    2.0946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6991    3.4749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9297    1.4027    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3441    1.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6991    2.1131    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4900    4.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9297    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4894    1.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7022    4.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7052    9.0748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6426    3.5520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3406    2.7866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  4  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 25  1  6  0  0  0
  6  9  1  6  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  6  0  0  0
  8 11  1  6  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  6  0  0  0
 17 20  1  0  0  0  0
 17 21  1  1  0  0  0
 18 22  1  1  0  0  0
 18 20  1  0  0  0  0
 20 23  1  6  0  0  0
 21 24  1  0  0  0  0
  5 27  1  0  0  0  0
 14 28  1  6  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 33  1  0  0  0  0
M  END
>  <Mol_ID> (394)
394

>  <Formula> (394)
C24H28O11

>  <MolWeight> (394)
492.47252

>  <Cat> (394)
S3787

>  <Name> (394)
Picroside I

>  <Synonyms> (394)
6'-Cinnamoylcatalpol

>  <Target> (394)
Antifection

>  <Form> (394)
free base

>  <CAS> (394)
27409-30-9

>  <URL> (394)
http://www.selleckchem.com/products/picroside-i.html

$$$$
S3918 4',7-Dimethoxy-5-Hydroxyflavone.cdx
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 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    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    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
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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    4.2000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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 11  2  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  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (395)
395

>  <Formula> (395)
C17H14O5

>  <MolWeight> (395)
298.29006

>  <Cat> (395)
S3918

>  <Name> (395)
4',7-Dimethoxy-5-Hydroxyflavone

>  <Synonyms> (395)
apigenin dimethylether; apigenin 7,4'-dimethyl ether; genkwanin 4'-methyl ether

>  <Target> (395)
Others

>  <Form> (395)
free base

>  <CAS> (395)
5128-44-9

>  <URL> (395)
http://www.selleckchem.com/products/4-7-dimethoxy-5-hydroxyflavone.html

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/09132309312D

 72 78  0  0  0  0  0  0  0  0999 V2000
    6.0656    3.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6408    3.4994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6415    2.0994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8543    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4280    4.1987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    1.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2756    8.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    7.7006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0642    6.3006    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2770    5.6013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4891    6.3019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4884    7.7019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9132    7.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (396)
396

>  <Formula> (396)
C48H82O18

>  <MolWeight> (396)
947.15388

>  <Cat> (396)
S3811

>  <Name> (396)
Ginsenoside Re

>  <Synonyms> (396)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (396)
Others

>  <Form> (396)
free base

>  <CAS> (396)
52286-59-6

>  <URL> (396)
http://www.selleckchem.com/products/ginsenoside-re.html

$$$$
S3881 Scopoletin.cdx
csChFnd80/09132309312D

 14 15  0  0  0  0  0  0  0  0999 V2000
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    2.4309    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (397)
397

>  <Formula> (397)
C10H8O4

>  <MolWeight> (397)
192.16812

>  <Cat> (397)
S3881

>  <Name> (397)
Scopoletin

>  <Synonyms> (397)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (397)
Immunology & Inflammation related

>  <Form> (397)
free base

>  <CAS> (397)
92-61-5

>  <URL> (397)
http://www.selleckchem.com/products/scopoletin.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/09132309312D

 58 65  0  0  0  0  0  0  0  0999 V2000
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 36 44  1  6  0  0  0
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M  END
>  <Mol_ID> (398)
398

>  <Formula> (398)
C41H68O14

>  <MolWeight> (398)
784.97022

>  <Cat> (398)
S3901

>  <Name> (398)
Astragaloside IV

>  <Synonyms> (398)
AST-IV, AS-IV

>  <Target> (398)
Others

>  <Form> (398)
free base

>  <CAS> (398)
84687-43-4

>  <URL> (398)
http://www.selleckchem.com/products/sastragaloside-iv.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/09132309312D

 32 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (399)
399

>  <Formula> (399)
C20H24O11

>  <MolWeight> (399)
440.39796

>  <Cat> (399)
S3781

>  <Name> (399)
Ginkgolide C

>  <Synonyms> (399)
BN-52022

>  <Target> (399)
Others

>  <Form> (399)
free base

>  <CAS> (399)
15291-76-6

>  <URL> (399)
http://www.selleckchem.com/products/ginkgolide-c.html

$$$$
S3799 Gentisic acid.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (400)
400

>  <Formula> (400)
C7H6O4

>  <MolWeight> (400)
154.12014

>  <Cat> (400)
S3799

>  <Name> (400)
Gentisic acid

>  <Synonyms> (400)
 DHB; 2,5-dihydroxybenzoic acid; 5-Hydroxysalicylic acid; Gentianic acid; Carboxyhydroquinone

>  <Target> (400)
Immunology & Inflammation related

>  <Form> (400)
free base

>  <CAS> (400)
490-79-9

>  <URL> (400)
http://www.selleckchem.com/products/gentisic-acid.html

$$$$
S3926 Forsythin.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (401)
401

>  <Formula> (401)
C27H34O11

>  <MolWeight> (401)
534.55226

>  <Cat> (401)
S3926

>  <Name> (401)
Forsythin

>  <Synonyms> (401)
Phillyrin

>  <Target> (401)
Others

>  <Form> (401)
free base

>  <CAS> (401)
487-41-2

>  <URL> (401)
http://www.selleckchem.com/products/forsythin.html

$$$$
LY2109761.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (402)
402

>  <Formula> (402)
C26H27N5O2

>  <MolWeight> (402)
441.52488

>  <Cat> (402)
S2704

>  <Name> (402)
LY2109761

>  <Synonyms> (402)
N/A

>  <Target> (402)
TGF-beta/Smad

>  <Form> (402)
Free Base

>  <CAS> (402)
700874-71-1 

>  <URL> (402)
http://www.selleckchem.com/products/ly2109761.html

$$$$
INCB28060.cdx
csChFnd80/09132309312D

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1029712-80-8

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http://www.selleckchem.com/products/incb28060.html

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>  <URL> (405)
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42521-82-4

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https://www.selleckchem.com/products/ipa-3.html

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172889-27-9

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EGFR

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Free Base

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194423-15-9

>  <URL> (409)
https://www.selleckchem.com/products/pd168393.html

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1370261-97-4,1370261-96-3(free base)

>  <URL> (410)
https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

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403811-55-2

>  <URL> (411)
https://www.selleckchem.com/products/10058-f4.html

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172889-26-8

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>  <Mol_ID> (416)
416

>  <Formula> (416)
C28H36F2N8O3S

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>  <Cat> (416)
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>  <Name> (416)
abemaciclib (LY2835219)

>  <Synonyms> (416)
N/A

>  <Target> (416)
CDK

>  <Form> (416)
Mesylate

>  <CAS> (416)
1231930-82-7

>  <URL> (416)
http://www.selleckchem.com/products/ly2835219.html

$$$$
NU6027.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (417)
417

>  <Formula> (417)
C11H17N5O2

>  <MolWeight> (417)
251.28498

>  <Cat> (417)
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NU6027

>  <Synonyms> (417)
N/A

>  <Target> (417)
CDK

>  <Form> (417)
Free Base

>  <CAS> (417)
220036-08-8

>  <URL> (417)
http://www.selleckchem.com/products/nu6027.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (418)
418

>  <Formula> (418)
C18H32ClN3O8P2

>  <MolWeight> (418)
515.862502

>  <Cat> (418)
S4157

>  <Name> (418)
Chloroquine Phosphate

>  <Synonyms> (418)
N/A

>  <Target> (418)
Others

>  <Form> (418)
Diphosphate

>  <CAS> (418)
50-63-5

>  <URL> (418)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
CNX-2006.cdx
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>  <Mol_ID> (419)
419

>  <Formula> (419)
C26H27F4N7O2

>  <MolWeight> (419)
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>  <Cat> (419)
S7206

>  <Name> (419)
CNX-2006

>  <Synonyms> (419)
N/A

>  <Target> (419)
EGFR

>  <Form> (419)
Free Base

>  <CAS> (419)
1375465-09-0

>  <URL> (419)
http://www.selleckchem.com/products/cnx-2006.html

$$$$
GZD824.cdx
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M  END
>  <Mol_ID> (420)
420

>  <Formula> (420)
C31H35F3N6O7S2

>  <MolWeight> (420)
724.7708096

>  <Cat> (420)
S7194

>  <Name> (420)
GZD824 Dimesylate 

>  <Synonyms> (420)
N/A

>  <Target> (420)
Bcr-Abl

>  <Form> (420)
Mesylate

>  <CAS> (420)
1421783-64-3

>  <URL> (420)
http://www.selleckchem.com/products/gzd824.html

$$$$
RKI-1447.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (421)
421

>  <Formula> (421)
C16H14N4O2S

>  <MolWeight> (421)
326.37296

>  <Cat> (421)
S7195

>  <Name> (421)
RKI-1447

>  <Synonyms> (421)
N/A

>  <Target> (421)
ROCK

>  <Form> (421)
Free Base

>  <CAS> (421)
1342278-01-6

>  <URL> (421)
http://www.selleckchem.com/products/rki-1447.html

$$$$
untitled.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (422)
422

>  <Formula> (422)
C24H25ClN6O

>  <MolWeight> (422)
448.9479

>  <Cat> (422)
S7106

>  <Name> (422)
AZD3463

>  <Synonyms> (422)
N/A

>  <Target> (422)
ALK

>  <Form> (422)
Free Base

>  <CAS> (422)
1356962-20-3

>  <URL> (422)
http://www.selleckchem.com/products/azd3463.html

$$$$
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csChFnd80/09132309312D

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 29 32  1  0  0  0  0
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M  END
>  <Mol_ID> (423)
423

>  <Formula> (423)
C54H92O23

>  <MolWeight> (423)
1109.29448

>  <Cat> (423)
S3924

>  <Name> (423)
Ginsenoside Rb1

>  <Synonyms> (423)
Gypenoside ¢ó

>  <Target> (423)
Others

>  <Form> (423)
free base

>  <CAS> (423)
41753-43-9

>  <URL> (423)
http://www.selleckchem.com/products/ginsenoside-rb1.html

$$$$
S3868 Harmine.cdx
csChFnd80/09132309312D

 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> (424)
424

>  <Formula> (424)
C13H12N2O

>  <MolWeight> (424)
212.24718

>  <Cat> (424)
S3868

>  <Name> (424)
Harmine

>  <Synonyms> (424)
telepathine

>  <Target> (424)
PPAR¦Ã,MAO-A

>  <Form> (424)
free base

>  <CAS> (424)
442-51-3

>  <URL> (424)
http://www.selleckchem.com/products/harmine.html

$$$$
S3980 Pyridoxine.cdx
csChFnd80/09132309312D

 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> (425)
425

>  <Formula> (425)
C8H11NO3

>  <MolWeight> (425)
169.17784

>  <Cat> (425)
S3980

>  <Name> (425)
Pyridoxine

>  <Synonyms> (425)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (425)
Others

>  <Form> (425)
free base

>  <CAS> (425)
65-23-6

>  <URL> (425)
http://www.selleckchem.com/products/pyridoxine.html

$$$$
S4990 TBHQ.cdx
csChFnd80/09132309312D

 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> (426)
426

>  <Formula> (426)
C10H14O2

>  <MolWeight> (426)
166.21696

>  <Cat> (426)
S4990

>  <Name> (426)
TBHQ

>  <Synonyms> (426)
Tert-butylhydroquinone

>  <Target> (426)
Nrf2

>  <Form> (426)
free base

>  <CAS> (426)
1948-33-0

>  <URL> (426)
http://selleckchem.com/products/tbhq.html

$$$$
S4953 Usnic acid.cdx
csChFnd80/09132309312D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0222    2.1098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6216    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6633    0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6216    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218    4.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4264    2.1163    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2721    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    0.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4214    3.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (427)
427

>  <Formula> (427)
C18H16O7

>  <MolWeight> (427)
344.31544

>  <Cat> (427)
S4953

>  <Name> (427)
Usnic acid

>  <Synonyms> (427)
Usniacin

>  <Target> (427)
Others

>  <Form> (427)
free base

>  <CAS> (427)
125-46-2

>  <URL> (427)
http://selleckchem.com/products/usnic-acid.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/09132309312D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.8389    5.3842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1564    4.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1771    3.9947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3358    3.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0022    2.4833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2089    1.7079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3626    2.7803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9317    4.1661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5939    5.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0264    6.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310    1.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1767    5.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388    6.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1773    5.2227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.5843    1.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6074    0.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1933    1.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6965    3.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8857    3.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0867    5.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    5.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777    2.9172    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
    7.2780    3.1276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0636    5.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 13  1  1  0  0  0  0
  1 16  1  1  0  0  0
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 21  6  1  0  0  0  0
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 24 10  2  0  0  0  0
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 31 12  1  0  0  0  0
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 15 33  1  1  0  0  0
 22 16  1  0  0  0  0
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 25 19  2  0  0  0  0
 28 19  1  0  0  0  0
 20 21  1  0  0  0  0
 26 22  2  0  0  0  0
 35 22  1  0  0  0  0
 27 23  2  0  0  0  0
 34 23  1  0  0  0  0
 32 28  1  0  0  0  0
 36 32  2  0  0  0  0
 37 32  1  0  0  0  0
 39 36  1  0  0  0  0
 38 37  2  0  0  0  0
 40 38  1  0  0  0  0
 40 39  2  0  0  0  0
M  END
>  <Mol_ID> (428)
428

>  <Formula> (428)
C32H40O8

>  <MolWeight> (428)
552.6552

>  <Cat> (428)
S3832

>  <Name> (428)
Euphorbiasteroid

>  <Synonyms> (428)
Euphorbia factor L1

>  <Target> (428)
Others

>  <Form> (428)
free base

>  <CAS> (428)
28649-59-4

>  <URL> (428)
http://selleckchem.com/products/euphorbiasteroid.html

$$$$
S4861 Oxindole.cdx
csChFnd80/09132309312D

 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
    3.7822    2.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2258    2.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7770    0.2613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6015    1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (429)
429

>  <Formula> (429)
C8H7NO

>  <MolWeight> (429)
133.14728

>  <Cat> (429)
S4861

>  <Name> (429)
Oxindole

>  <Synonyms> (429)
2-indolone, 2-Oxindole, Indolin-2-one

>  <Target> (429)
Others

>  <Form> (429)
free base

>  <CAS> (429)
59-48-3

>  <URL> (429)
http://selleckchem.com/products/oxindole.html

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/09132309312D

 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
    8.6032    0.2658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2720    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    2.1008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    4.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4257    6.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 11  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 10  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (430)
430

>  <Formula> (430)
C10H13N5O

>  <MolWeight> (430)
219.24312

>  <Cat> (430)
S4884

>  <Name> (430)
Trans-Zeatin

>  <Synonyms> (430)
(E)-Zeatin

>  <Target> (430)
Others

>  <CAS> (430)
1637-39-4

>  <URL> (430)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4959 Skatole.cdx
csChFnd80/09132309312D

 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
    1.2198    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548    0.2584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5817    1.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    3.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0049    2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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  7  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (431)
431

>  <Formula> (431)
C9H9N

>  <MolWeight> (431)
131.17446

>  <Cat> (431)
S4959

>  <Name> (431)
Skatole

>  <Synonyms> (431)
3-methylindole, Scatole

>  <Target> (431)
Anti-infection

>  <CAS> (431)
83-34-1

>  <URL> (431)
http://selleckchem.com/products/skatole.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/09132309312D

 68 74  0  0  0  0  0  0  0  0999 V2000
    6.9238    8.9622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0285    9.6191    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6762    9.6479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9525    7.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0475   11.0288    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3238    9.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0285    8.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5239    8.9905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6762   11.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2000   10.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4478   13.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    7.5812    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0476    5.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6287    2.0956    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3620    4.0763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2954   12.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2001    1.9812    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4764    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1905   16.9907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1525   18.1717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0000   16.9907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6477   11.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2191    3.4667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.6000   16.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2856   10.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (432)
432

>  <Formula> (432)
C47H80O18

>  <MolWeight> (432)
933.1273

>  <Cat> (432)
S3785

>  <Name> (432)
Notoginsenoside R1

>  <Synonyms> (432)
Sanchinoside R1

>  <Target> (432)
Others

>  <Form> (432)
free base

>  <CAS> (432)
80418-24-2

>  <URL> (432)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
GW 5074.cdx
csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9646    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1826    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7604    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1930    5.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4992    4.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0665    3.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6971    3.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8638    5.0218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0001    2.3634    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.9935    7.0990    0.0000 Br  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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 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (433)
433

>  <Formula> (433)
C15H8Br2INO2

>  <MolWeight> (433)
520.94199

>  <Cat> (433)
S2872

>  <Name> (433)
GW5074

>  <Synonyms> (433)
N/A

>  <Target> (433)
Raf

>  <Form> (433)
free base

>  <CAS> (433)
220904-83-6

>  <URL> (433)
http://selleckchem.com/products/gw5074.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/09132309312D

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    8.4702    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  6  0  0  0
 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
  6 33  1  6  0  0  0
  2 34  1  6  0  0  0
  3 35  1  6  0  0  0
 11 36  1  6  0  0  0
 13 37  1  6  0  0  0
 12 38  1  1  0  0  0
 19 39  1  0  0  0  0
 23 40  2  0  0  0  0
 31 41  1  0  0  0  0
 30 42  1  0  0  0  0
 42 43  1  0  0  0  0
 39 44  1  0  0  0  0
M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C29H36O15

>  <MolWeight> (434)
624.58714

>  <Cat> (434)
S2323

>  <Name> (434)
Methyl-Hesperidin

>  <Form> (434)
free base

>  <CAS> (434)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/09132309312D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.1148    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    3.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    5.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    5.6707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    3.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    7.4035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7437    7.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2309    7.5316    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8162    9.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 13  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 22 23  2  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (435)
435

>  <Formula> (435)
C19H19ClN6O4S3

>  <MolWeight> (435)
527.03996

>  <Cat> (435)
S1154

>  <Name> (435)
SNS-314 Mesylate

>  <Synonyms> (435)
N/A

>  <Target> (435)
Aurora Kinase

>  <Form> (435)
Mesylate

>  <CAS> (435)
1146618-41-8

>  <URL> (435)
http://www.selleckchem.com/products/SNS-314.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/09132309312D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5054    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0844    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1497    0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6314    2.7969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5771    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7749    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2423    4.2112    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4211    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0509    2.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6124    7.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2423    7.0273    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
  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 11  2  0  0  0  0
  9 13  1  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
 18 15  1  1  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 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> (436)
436

>  <Formula> (436)
C21H18O12

>  <MolWeight> (436)
462.36042

>  <Cat> (436)
S3810

>  <Name> (436)
Scutellarin

>  <Synonyms> (436)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (436)
Others

>  <Form> (436)
free base

>  <CAS> (436)
27740-01-8

>  <URL> (436)
http://www.selleckchem.com/products/scutellarin.html

$$$$
untitled.cdx
csChFnd80/09132309312D

 34 37  0  0  0  0  0  0  0  0999 V2000
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (437)
437

>  <Formula> (437)
C24H25ClFN5O3

>  <MolWeight> (437)
485.9384032

>  <Cat> (437)
S1019

>  <Name> (437)
CI-1033 (Canertinib)

>  <Synonyms> (437)
PD-183805 

>  <Target> (437)
EGFR, HER2

>  <Form> (437)
Free Base

>  <CAS> (437)
267243-28-7

>  <URL> (437)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (438)
438

>  <Formula> (438)
C31H42N6O4

>  <MolWeight> (438)
562.70298

>  <Cat> (438)
S1043

>  <Name> (438)
Tandutinib (MLN518)

>  <Synonyms> (438)
CT53518

>  <Target> (438)
Flt

>  <Form> (438)
Free Base

>  <CAS> (438)
387867-13-2

>  <URL> (438)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

$$$$
untitled.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (439)
439

>  <Formula> (439)
C22H24BrFN4O2

>  <MolWeight> (439)
475.3539632

>  <Cat> (439)
S1046

>  <Name> (439)
Vandetanib (ZD6474)

>  <Synonyms> (439)
N/A

>  <Target> (439)
VEGFR

>  <Form> (439)
Free Base

>  <CAS> (439)
443913-73-3

>  <URL> (439)
http://www.selleckchem.com/products/Vandetanib.html

$$$$
untitled.cdx
csChFnd80/09132309312D

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440

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C21H46NO4P

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S3056

>  <Name> (440)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (440)
N/A

>  <Target> (440)
Akt

>  <Form> (440)
Free Base

>  <CAS> (440)
58066-85-6

>  <URL> (440)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (441)
441

>  <Formula> (441)
C17H15NO3

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281.3059

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S2893

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NU7026

>  <Synonyms> (441)
N/A

>  <Target> (441)
DNA-PK

>  <Form> (441)
Free Base

>  <CAS> (441)
154447-35-5

>  <URL> (441)
http://www.selleckchem.com/products/nu7026.html

$$$$
Vinpocetine.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (442)
442

>  <Formula> (442)
C22H26N2O2

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350.45404

>  <Cat> (442)
S2110

>  <Name> (442)
Vinpocetine (Cavinton)

>  <Synonyms> (442)
N/A

>  <Target> (442)
Sodium Channel

>  <Form> (442)
Free Base

>  <CAS> (442)
42971-09-5

>  <URL> (442)
http://www.selleckchem.com/products/vinpocetine-cavinton.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/09132309312D

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>  <Mol_ID> (443)
443

>  <Formula> (443)
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SMI-4a

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N/A

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Pim

>  <Form> (443)
Free Base

>  <CAS> (443)
438190-29-5

>  <URL> (443)
http://www.selleckchem.com/products/smi-4a.html

$$$$
VE-821.cdx
csChFnd80/09132309312D

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444

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ATM/ATR

>  <Form> (444)
Free Base

>  <CAS> (444)
1232410-49-9

>  <URL> (444)
http://www.selleckchem.com/products/ve-821.html

$$$$
GSK2636771.cdx
csChFnd80/09132309312D

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 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> (445)
445

>  <Formula> (445)
C22H22F3N3O3

>  <MolWeight> (445)
433.4235896

>  <Cat> (445)
S8002

>  <Name> (445)
GSK2636771

>  <Synonyms> (445)
N/A

>  <Target> (445)
PI3K

>  <Form> (445)
Free Base

>  <CAS> (445)
1372540-25-4

>  <URL> (445)
http://www.selleckchem.com/products/gsk2636771.html

$$$$
PQ 401.cdx
csChFnd80/09132309312D

 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> (446)
446

>  <Formula> (446)
C18H16ClN3O2

>  <MolWeight> (446)
341.79154

>  <Cat> (446)
S8003

>  <Name> (446)
PQ 401

>  <Synonyms> (446)
N/A

>  <Target> (446)
IGF-1R

>  <Form> (446)
Free Base

>  <CAS> (446)
196868-63-0

>  <URL> (446)
http://www.selleckchem.com/products/pq-401.html

$$$$
AG 18.cdx
csChFnd80/09132309312D

 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> (447)
447

>  <Formula> (447)
C10H6N2O2

>  <MolWeight> (447)
186.16684

>  <Cat> (447)
S8009

>  <Name> (447)
AG 18 (Tyrphostin 23)

>  <Synonyms> (447)
RG-50810

>  <Target> (447)
EGFR

>  <Form> (447)
Free Base

>  <CAS> (447)
118409-57-7

>  <URL> (447)
http://www.selleckchem.com/products/ag-18-tyrphostin-23.html

$$$$

csChFnd80/09132309312D

 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
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   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
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    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
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   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> (448)
448

>  <Formula> (448)
C24H22F3N5O5

>  <MolWeight> (448)
517.4571896

>  <Cat> (448)
S8015

>  <Name> (448)
CEP-32496

>  <Synonyms> (448)
N/A

>  <Target> (448)
Raf

>  <Form> (448)
Free Base

>  <CAS> (448)
1188910-76-0

>  <URL> (448)
http://www.selleckchem.com/products/cep-32496.html

$$$$
GW 9508.cdx
csChFnd80/09132309312D

 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
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   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
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  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
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 14  8  1  0  0  0  0
 12  9  1  0  0  0  0
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 25 22  1  0  0  0  0
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 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (449)
449

>  <Formula> (449)
C22H21NO3

>  <MolWeight> (449)
347.40704

>  <Cat> (449)
S8014

>  <Name> (449)
GW9508

>  <Synonyms> (449)
N/A

>  <Target> (449)
GPR

>  <Form> (449)
Free Base

>  <CAS> (449)
885101-89-3

>  <URL> (449)
http://www.selleckchem.com/products/gw9508.html

$$$$
AP26113.cdx
csChFnd80/09132309312D

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450

>  <Formula> (450)
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N/A

>  <Target> (450)
ALK

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Free Base

>  <CAS> (450)
1197958-12-5

>  <URL> (450)
http://www.selleckchem.com/products/ap26113.html

$$$$
AZD5363.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (451)
451

>  <Formula> (451)
C21H25ClN6O2

>  <MolWeight> (451)
428.9152

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S8019

>  <Name> (451)
AZD5363

>  <Synonyms> (451)
N/A

>  <Target> (451)
Akt

>  <Form> (451)
Free Base

>  <CAS> (451)
1143532-39-1

>  <URL> (451)
http://www.selleckchem.com/products/azd5363.html

$$$$
AG-1296.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (452)
452

>  <Formula> (452)
C16H14N2O2

>  <MolWeight> (452)
266.29456

>  <Cat> (452)
S8024

>  <Name> (452)
Tyrphostin AG 1296 (AG 1296)

>  <Synonyms> (452)
N/A

>  <Target> (452)
PDGFR

>  <Form> (452)
Free Base

>  <CAS> (452)
146535-11-7

>  <URL> (452)
http://www.selleckchem.com/products/tyrphostin-ag-1296-ag-1296.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/09132309312D

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>  <Mol_ID> (453)
453

>  <Formula> (453)
C18H20N2O4S

>  <MolWeight> (453)
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>  <Cat> (453)
S8023

>  <Name> (453)
TCS 359

>  <Synonyms> (453)
N/A

>  <Target> (453)
FLT3

>  <Form> (453)
Free Base

>  <CAS> (453)
301305-73-7

>  <URL> (453)
http://www.selleckchem.com/products/tcs-359.html

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (454)
454

>  <Formula> (454)
FNa2O3P

>  <MolWeight> (454)
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>  <Cat> (454)
S4013

>  <Name> (454)
Sodium Monofluorophosphate

>  <Synonyms> (454)
Sodium Fluorophosphate

>  <Target> (454)
Others
phosphatase

>  <Form> (454)
Disodium salt

>  <CAS> (454)
10163-15-2

>  <URL> (454)
http://www.selleckchem.com/products/sodium-monofluorophosphate.html

$$$$
IPI-145.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (455)
455

>  <Formula> (455)
C22H17ClN6O

>  <MolWeight> (455)
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S7028

>  <Name> (455)
Duvelisib (IPI-145, INK1197)

>  <Synonyms> (455)
N/A

>  <Target> (455)
PI3K

>  <Form> (455)
Free Base

>  <CAS> (455)
1201438-56-3

>  <URL> (455)
http://www.selleckchem.com/products/ipi-145-ink1197.html

$$$$
Necrostatin-1.cdx
csChFnd80/09132309312D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (456)
456

>  <Formula> (456)
C13H13N3OS

>  <MolWeight> (456)
259.32682

>  <Cat> (456)
S8037

>  <Name> (456)
Necrostatin-1

>  <Synonyms> (456)
N/A

>  <Target> (456)
TNF-alpha

>  <Form> (456)
Free Base

>  <CAS> (456)
4311-88-0

>  <URL> (456)
http://www.selleckchem.com/products/necrostatin-1.html

$$$$
STATTIC.cdx
csChFnd80/09132309312D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (457)
457

>  <Formula> (457)
C8H5NO4S

>  <MolWeight> (457)
211.1946

>  <Cat> (457)
S7024

>  <Name> (457)
Stattic

>  <Synonyms> (457)
N/A

>  <Target> (457)
STAT

>  <Form> (457)
Free Base

>  <CAS> (457)
19983-44-9

>  <URL> (457)
http://www.selleckchem.com/products/stattic.html

$$$$
GW2580.cdx
csChFnd80/09132309312D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (458)
458

>  <Formula> (458)
C20H22N4O3

>  <MolWeight> (458)
366.41368

>  <Cat> (458)
S8042

>  <Name> (458)
GW2580

>  <Synonyms> (458)
N/A

>  <Target> (458)
CSF-1R

>  <Form> (458)
Free Base

>  <CAS> (458)
870483-87-7

>  <URL> (458)
http://www.selleckchem.com/products/gw2580.html

$$$$
Butein.cdx
csChFnd80/09132309312D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (459)
459

>  <Formula> (459)
C15H12O5

>  <MolWeight> (459)
272.25278

>  <Cat> (459)
S8036

>  <Name> (459)
Butein

>  <Synonyms> (459)
N/A

>  <Target> (459)
EGFR

>  <Form> (459)
Free Base

>  <CAS> (459)
487-52-5

>  <URL> (459)
https://www.selleckchem.com/products/butein.html

$$$$
(-)-Blebbistatin.cdx
csChFnd80/09132309312D

 22 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (460)
460

>  <Formula> (460)
C18H16N2O2

>  <MolWeight> (460)
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>  <Cat> (460)
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>  <Name> (460)
(-)-Blebbistatin

>  <Synonyms> (460)
N/A

>  <Target> (460)
ATPase

>  <Form> (460)
Free Base

>  <CAS> (460)
856925-71-8

>  <URL> (460)
https://www.selleckchem.com/products/blebbistatin.html

$$$$
GDC-0349.cdx
csChFnd80/09132309312D

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>  <URL> (463)
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SGX-523

>  <Synonyms> (464)
N/A

>  <Target> (464)
c-Met 

>  <Form> (464)
Free Base

>  <CAS> (464)
1022150-57-7

>  <URL> (464)
http://www.selleckchem.com/products/SGX-523.html

$$$$
untitled.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (465)
465

>  <Formula> (465)
C21H16N6O2S2

>  <MolWeight> (465)
448.52074

>  <Cat> (465)
S1118

>  <Name> (465)
XL147 analogue

>  <Synonyms> (465)
SAR245408

>  <Target> (465)
PI3K 

>  <Form> (465)
Free Base

>  <CAS> (465)
956958-53-5

>  <URL> (465)
http://www.selleckchem.com/products/XL147.html

$$$$
s1023.cdx
csChFnd80/09132309312D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (466)
466

>  <Formula> (466)
C22H24ClN3O4

>  <MolWeight> (466)
429.89666

>  <Cat> (466)
S1023

>  <Name> (466)
Erlotinib(OSI-744)

>  <Synonyms> (466)
(CP358774, NSC 718781) HCl

>  <Target> (466)
EGFR

>  <Form> (466)
Hydrochloride

>  <CAS> (466)
183319-69-9

>  <URL> (466)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/09132309312D

 28 29  0  0  0  0  0  0  0  0999 V2000
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  6  1  2  0  0  0  0
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M  END
>  <Mol_ID> (467)
467

>  <Formula> (467)
C16H15BrClN5O4S

>  <MolWeight> (467)
488.7434

>  <Cat> (467)
S1205

>  <Name> (467)
PIK-75 

>  <Synonyms> (467)
N/A

>  <Target> (467)
PI3K, DNA-PK

>  <Form> (467)
Hydrochloride

>  <CAS> (467)
372196-77-5

>  <URL> (467)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/09132309312D

 31 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (468)
468

>  <Formula> (468)
C25H52NO4P

>  <MolWeight> (468)
461.658441

>  <Cat> (468)
S1037

>  <Name> (468)
Perifosine (KRX-0401)

>  <Synonyms> (468)
NSC639966

>  <Target> (468)
Akt

>  <Form> (468)
Free Base

>  <CAS> (468)
157716-52-4

>  <URL> (468)
http://www.selleckchem.com/products/Perifosine.html

$$$$
Ellagic acid.cdx
csChFnd80/09132309312D

 22 25  0  0  0  0  0  0  0  0999 V2000
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469

>  <Formula> (469)
C14H6O8

>  <MolWeight> (469)
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S1327

>  <Name> (469)
Ellagic acid

>  <Synonyms> (469)
N/A

>  <Target> (469)
Topoisomerases

>  <Form> (469)
Free Base

>  <CAS> (469)
476-66-4

>  <URL> (469)
http://www.selleckchem.com/products/Ellagic-acid.html

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470

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GSK1059615

>  <Synonyms> (470)
N/A

>  <Target> (470)
PI3K, mTOR

>  <Form> (470)
Free Base

>  <CAS> (470)
958852-01-2

>  <URL> (470)
http://www.selleckchem.com/products/GSK1059615.html

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>  <Mol_ID> (471)
471

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C26H37FN6O6S2

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>  <Cat> (471)
S1494

>  <Name> (471)
LY2228820

>  <Synonyms> (471)
N/A

>  <Target> (471)
p38 MAPK

>  <Form> (471)
Dimesylate

>  <CAS> (471)
862507-23-1

>  <URL> (471)
http://www.selleckchem.com/products/LY2228820.html

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>  <Mol_ID> (472)
472

>  <Formula> (472)
C23H25ClN8OS

>  <MolWeight> (472)
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>  <Cat> (472)
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>  <Name> (472)
CCT129202

>  <Synonyms> (472)
N/A

>  <Target> (472)
Aurora Kinase

>  <Form> (472)
Free Base

>  <CAS> (472)
942947-93-5

>  <URL> (472)
http://www.selleckchem.com/products/CCT129202.html

$$$$
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473

>  <Formula> (473)
C30H29ClN6O3

>  <MolWeight> (473)
557.04266

>  <Cat> (473)
S2150

>  <Name> (473)
Neratinib (HKI-272)

>  <Synonyms> (473)
N/A 

>  <Target> (473)
HER2, EGFR

>  <Form> (473)
Free Base

>  <CAS> (473)
698387-09-6

>  <URL> (473)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

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csChFnd80/09132309312D

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>  <Mol_ID> (474)
474

>  <Formula> (474)
C23H24FN6Na2O9P

>  <MolWeight> (474)
624.4231642

>  <Cat> (474)
S2206

>  <Name> (474)
R935788 (Fostamatinib disodium)

>  <Synonyms> (474)
N/A 

>  <Target> (474)
Syk

>  <Form> (474)
Sodium Salt

>  <CAS> (474)
1025687-58-4

>  <URL> (474)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

$$$$
untitled.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (475)
475

>  <Formula> (475)
C19H12F4N4O2

>  <MolWeight> (475)
404.3177928

>  <Cat> (475)
S6005

>  <Name> (475)
VX-702

>  <Synonyms> (475)
N/A

>  <Target> (475)
p38 MAPK 

>  <Form> (475)
Free Base

>  <CAS> (475)
745833-23-2

>  <URL> (475)
http://www.selleckchem.com/products/VX-702.html

$$$$
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   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> (476)
476

>  <Formula> (476)
C32H41N9O4

>  <MolWeight> (476)
615.72584

>  <Cat> (476)
S2628

>  <Name> (476)
PF-05212384 (PKI-587)

>  <Synonyms> (476)
N/A 

>  <Target> (476)
mTOR, PI3K

>  <Form> (476)
Free Base

>  <CAS> (476)
1197160-78-3

>  <URL> (476)
http://www.selleckchem.com/products/pki587.html

$$$$
Amiloride hydrochloride dihydrate.cdx
csChFnd80/09132309312D

 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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    7.2831    6.7537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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> (477)
477

>  <Formula> (477)
C6H13Cl2N7O3

>  <MolWeight> (477)
302.11852

>  <Cat> (477)
S2560

>  <Name> (477)
Amiloride hydrochloride dihydrate

>  <Synonyms> (477)
MK-870

>  <Target> (477)
Sodium Channel

>  <Form> (477)
hydrochloride & dihydrate

>  <CAS> (477)
17440-83-4

>  <URL> (477)
http://www.selleckchem.com/products/amilorida.html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/09132309312D

 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
    2.4249    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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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   10.9093    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (478)
478

>  <Formula> (478)
C25H19NO3S

>  <MolWeight> (478)
413.48826

>  <Cat> (478)
S2638

>  <Name> (478)
NU7441(KU-57788)

>  <Synonyms> (478)
N/A 

>  <Target> (478)
DNA-PK, PI3K

>  <Form> (478)
Free Base

>  <CAS> (478)
503468-95-9 

>  <URL> (478)
http://www.selleckchem.com/products/nu7441.html

$$$$
SCH 900776.cdx
csChFnd80/09132309312D

 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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    9.5655    4.1976    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.8538    8.3645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4614    8.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4870    7.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9579    5.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (479)
479

>  <Formula> (479)
C15H18BrN7

>  <MolWeight> (479)
376.25432

>  <Cat> (479)
S2735

>  <Name> (479)
MK-8776 (SCH 900776)

>  <Synonyms> (479)
N/A

>  <Target> (479)
CHK

>  <Form> (479)
Free Base

>  <CAS> (479)
891494-63-6

>  <URL> (479)
http://www.selleckchem.com/products/sch-900776.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/09132309312D

 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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    8.4744    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    2.0927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5703    6.2927    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1703    6.2927    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 26  1  0  0  0  0
 30 31  2  0  0  0  0
 28 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (480)
480

>  <Formula> (480)
C23H14Na2O11

>  <MolWeight> (480)
512.3302

>  <Cat> (480)
S1911

>  <Name> (480)
Disodium Cromoglycate

>  <Synonyms> (480)
Gynazole

>  <Target> (480)
Calcium Channel

>  <Form> (480)
Disodium Salt

>  <CAS> (480)
15826-37-6

>  <URL> (480)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

$$$$
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1421373-98-9

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http://www.selleckchem.com/products/az5104.html

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1234480-84-2

>  <URL> (486)
http://www.selleckchem.com/products/lrrk2-in-1.html

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>  <Target> (487)
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>  <Form> (487)
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>  <CAS> (487)
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>  <URL> (487)
http://www.selleckchem.com/products/nps-1034.html

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1168091-68-6

>  <URL> (489)
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>  <URL> (490)
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>  <Target> (491)
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>  <Form> (491)
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>  <CAS> (491)
1627494-13-6

>  <URL> (491)
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M  END
>  <Mol_ID> (492)
492

>  <Formula> (492)
C18H23N5NaO8P

>  <MolWeight> (492)
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>  <Cat> (492)
S7858

>  <Name> (492)
Dibutyryl-cAMP (Bucladesine)

>  <Synonyms> (492)
dbcAMP

>  <Target> (492)
PKA

>  <Form> (492)
sodium salt

>  <CAS> (492)
16980-89-5

>  <URL> (492)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

$$$$
8-Bromo-cAMP.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (493)
493

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>  <Name> (493)
8-Bromo-cAMP

>  <Synonyms> (493)
N/A

>  <Target> (493)
PKA

>  <Form> (493)
sodium salt

>  <CAS> (493)
76939-46-3

>  <URL> (493)
http://www.selleckchem.com/products/8-bromo-camp.html

$$$$
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>  <Mol_ID> (494)
494

>  <Formula> (494)
C26H22Cl2N4O3

>  <MolWeight> (494)
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>  <Cat> (494)
S7819

>  <Name> (494)
BLU9931

>  <Synonyms> (494)
N/A

>  <Target> (494)
FGFR

>  <Form> (494)
Free Base

>  <CAS> (494)
1538604-68-0

>  <URL> (494)
http://www.selleckchem.com/products/blu9931.html

$$$$
TP-0903.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (495)
495

>  <Formula> (495)
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>  <Name> (495)
TP-0903

>  <Synonyms> (495)
N/A

>  <Target> (495)
TAM Receptor

>  <Form> (495)
Free Base

>  <CAS> (495)
1341200-45-0

>  <URL> (495)
http://www.selleckchem.com/products/tp-0903.html

$$$$
FLLL32.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (496)
496

>  <Formula> (496)
C28H32O6

>  <MolWeight> (496)
464.55008

>  <Cat> (496)
S7259

>  <Name> (496)
FLLL32

>  <Synonyms> (496)
N/A

>  <Target> (496)
JAK

>  <Form> (496)
Free Base

>  <CAS> (496)
1226895-15-3

>  <URL> (496)
http://www.selleckchem.com/products/flll32.html

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (497)
497

>  <Formula> (497)
C5H6Na2O5

>  <MolWeight> (497)
192.07768

>  <Cat> (497)
S7873

>  <Name> (497)
Disodium (R)-2-Hydroxyglutarate

>  <Synonyms> (497)
N/A

>  <Target> (497)
Others

>  <Form> (497)
disodium salt

>  <CAS> (497)
103404-90-6

>  <URL> (497)
http://www.selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (498)
498

>  <Formula> (498)
C26H44NNaO6S

>  <MolWeight> (498)
521.68543

>  <Cat> (498)
S7896

>  <Name> (498)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (498)
N/A

>  <Target> (498)
Antifection

>  <Form> (498)
sodium salt

>  <CAS> (498)
35807-85-3

>  <URL> (498)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (499)
499

>  <Formula> (499)
C24H28N8O2

>  <MolWeight> (499)
460.53152

>  <Cat> (499)
S7103

>  <Name> (499)
GDC-0032

>  <Synonyms> (499)
RG7604

>  <Target> (499)
PI3K

>  <Form> (499)
Free Base

>  <CAS> (499)
1282512-48-4

>  <URL> (499)
http://www.selleckchem.com/products/gdc-0032.html

$$$$
ONO-4059.cdx
csChFnd80/09132309312D

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1449685-96-4

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http://www.selleckchem.com/products/ddr1-in-1.html

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N/A

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VEGFR

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Free Base

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215543-92-3

>  <URL> (506)
http://www.selleckchem.com/products/su5402.html

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N/A

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TAM Receptor

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hydrochloride salt

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1429881-91-3

>  <URL> (507)
http://www.selleckchem.com/products/unc-2025.html

$$$$
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M  END
>  <Mol_ID> (512)
512

>  <Formula> (512)
C21H23N5O4S

>  <MolWeight> (512)
441.50342

>  <Cat> (512)
S7851

>  <Name> (512)
AZD3264

>  <Synonyms> (512)
N/A

>  <Target> (512)
I¦ÊB/IKK

>  <Form> (512)
Free Base

>  <CAS> (512)
1609281-86-8

>  <URL> (512)
http://www.selleckchem.com/products/azd3264.html

$$$$
BAY 1895344.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (513)
513

>  <Formula> (513)
C20H22ClN7O

>  <MolWeight> (513)
411.88798

>  <Cat> (513)
S8666

>  <Name> (513)
BAY 1895344

>  <Synonyms> (513)
N/A

>  <Target> (513)
ATR

>  <Form> (513)
hydrochloride

>  <CAS> (513)
1876467-74-1(free base)

>  <URL> (513)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
S3753 L-Leucine.cdx
csChFnd80/09132309312D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.6380    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (514)
514

>  <Formula> (514)
C6H13NO2

>  <MolWeight> (514)
131.17292

>  <Cat> (514)
S3753

>  <Name> (514)
L-Leucine

>  <Synonyms> (514)
(S)-Leucine, Leu

>  <Target> (514)
Others

>  <Form> (514)
free base

>  <CAS> (514)
61-90-5

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

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/09132309312D

 26 30  0  0  0  0  0  0  0  0999 V2000
    3.4240    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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M  END
>  <Mol_ID> (515)
515

>  <Formula> (515)
C17H15N9

>  <MolWeight> (515)
345.3613

>  <Cat> (515)
S7674

>  <Name> (515)
Savolitinib(AZD6094, HMPL-504)

>  <Synonyms> (515)
Volitinib

>  <Target> (515)
MET

>  <Form> (515)
free base

>  <CAS> (515)
1313725-88-0

>  <URL> (515)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
S3801 Sodium Houttuyfonate.cdx
csChFnd80/09132309312D

 21 19  0  0  0  0  0  0  0  0999 V2000
   14.5492    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8865    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3990    1.9124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    6.0622    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
   20.6496    1.9007    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  4  7  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (516)
516

>  <Formula> (516)
C14H27NaO5S

>  <MolWeight> (516)
330.41595

>  <Cat> (516)
S3801

>  <Name> (516)
Sodium Houttuyfonate

>  <Synonyms> (516)
N/A

>  <Target> (516)
Antifection

>  <Form> (516)
sodium salt

>  <CAS> (516)
1847-58-1

>  <URL> (516)
http://www.selleckchem.com/products/sodium-houttuyfonate.html

$$$$
S3813 Bakuchiol.cdx
csChFnd80/09132309312D

 19 19  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  1  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
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    9.6993    2.7739    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
   10.9042    2.0610    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
   12.1241    2.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1391    4.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3289    2.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (517)
517

>  <Formula> (517)
C18H24O

>  <MolWeight> (517)
256.38256

>  <Cat> (517)
S3813

>  <Name> (517)
Bakuchiol

>  <Synonyms> (517)
(S)-(+)-Bakuchiol

>  <Target> (517)
Immunology & Inflammation related

>  <Form> (517)
free base

>  <CAS> (517)
10309-37-2

>  <URL> (517)
http://www.selleckchem.com/products/bakuchiol.html

$$$$
AZD1080.cdx
csChFnd80/09132309312D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (518)
518

>  <Formula> (518)
C19H18N4O2

>  <MolWeight> (518)
334.37182

>  <Cat> (518)
S7145

>  <Name> (518)
AZD1080

>  <Synonyms> (518)
N/A

>  <Target> (518)
GSK-3

>  <Form> (518)
Free Base

>  <CAS> (518)
612487-72-6

>  <URL> (518)
http://www.selleckchem.com/products/azd1080.html

$$$$
SKI II (SphK-I2).cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (519)
519

>  <Formula> (519)
C15H11ClN2OS

>  <MolWeight> (519)
302.77864

>  <Cat> (519)
S7176

>  <Name> (519)
SKI II

>  <Synonyms> (519)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (519)
S1P Receptor

>  <Form> (519)
Free Base

>  <CAS> (519)
312636-16-1

>  <URL> (519)
http://www.selleckchem.com/products/ski-ii.html

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/09132309312D

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>  <Mol_ID> (520)
520

>  <Formula> (520)
C17H15BrF2N4O3

>  <MolWeight> (520)
441.2268064

>  <Cat> (520)
S7007

>  <Name> (520)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (520)
N/A

>  <Target> (520)
MEK

>  <Form> (520)
Free Base

>  <CAS> (520)
606143-89-9

>  <URL> (520)
http://www.selleckchem.com/products/mek162.html

$$$$
GSK2334470.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (521)
521

>  <Formula> (521)
C25H34N8O

>  <MolWeight> (521)
462.59046

>  <Cat> (521)
S7087

>  <Name> (521)
GSK2334470

>  <Synonyms> (521)
N/A

>  <Target> (521)
PDK-1

>  <Form> (521)
Free Base

>  <CAS> (521)
1227911-45-6

>  <URL> (521)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (522)
522

>  <Formula> (522)
C24H26N4O

>  <MolWeight> (522)
386.48944

>  <Cat> (522)
S7127

>  <Name> (522)
TIC10 analogue

>  <Synonyms> (522)
TRAIL-inducing Compound 10

>  <Target> (522)
Akt

>  <Form> (522)
Free Base

>  <CAS> (522)
41276-02-2

>  <URL> (522)
http://www.selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/09132309312D

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523

>  <Formula> (523)
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BIO

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GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (523)
GSK-3

>  <Form> (523)
Free Base

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667463-62-9

>  <URL> (523)
http://www.selleckchem.com/products/bio.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/09132309312D

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>  <Mol_ID> (524)
524

>  <Formula> (524)
C17H13N5

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>  <Cat> (524)
S7223

>  <Name> (524)
RepSox

>  <Synonyms> (524)
E-616452, SJN 2511

>  <Target> (524)
TGF-beta/Smad

>  <Form> (524)
Free Base

>  <CAS> (524)
446859-33-2

>  <URL> (524)
http://www.selleckchem.com/products/repsox.html

$$$$
AZD2858.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (525)
525

>  <Formula> (525)
C21H23N7O3S

>  <MolWeight> (525)
453.51742

>  <Cat> (525)
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>  <Name> (525)
AZD2858

>  <Synonyms> (525)
N/A

>  <Target> (525)
GSK-3

>  <Form> (525)
Free Base

>  <CAS> (525)
486424-20-8

>  <URL> (525)
http://www.selleckchem.com/products/azd2858.html

$$$$
ZM39923 HCl.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (526)
526

>  <Formula> (526)
C23H26ClNO

>  <MolWeight> (526)
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>  <Cat> (526)
S8004

>  <Name> (526)
ZM 39923 HCl

>  <Synonyms> (526)
N/A

>  <Target> (526)
JAK

>  <Form> (526)
HCl

>  <CAS> (526)
1021868-92-7

>  <URL> (526)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/09132309312D

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    3.0533    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
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  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
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 18 19  2  0  0  0  0
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 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> (527)
527

>  <Formula> (527)
C26H27N5O5S2

>  <MolWeight> (527)
553.65308

>  <Cat> (527)
S7207

>  <Name> (527)
Ro 31-8220 Mesylate

>  <Synonyms> (527)
Bisindolylmaleimide IX Mesylate

>  <Target> (527)
PKC

>  <Form> (527)
Mesylate

>  <CAS> (527)
138489-18-6

>  <URL> (527)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
Bardoxolone Methyl.cdx
csChFnd80/09132309312D

 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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   10.9095    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
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 20 21  1  0  0  0  0
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  1 22  1  0  0  0  0
 23 24  2  0  0  0  0
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 17 28  1  1  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
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 33 34  3  0  0  0  0
 15 33  1  0  0  0  0
 25 35  1  0  0  0  0
  9 36  1  1  0  0  0
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 22 38  1  1  0  0  0
 21 39  1  1  0  0  0
 12 40  1  6  0  0  0
M  END
>  <Mol_ID> (528)
528

>  <Formula> (528)
C32H43NO4

>  <MolWeight> (528)
505.68812

>  <Cat> (528)
S8078

>  <Name> (528)
Bardoxolone Methyl

>  <Synonyms> (528)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester

>  <Target> (528)
I¦ÊB/IKK

>  <Form> (528)
Free Base

>  <CAS> (528)
218600-53-4

>  <URL> (528)
http://www.selleckchem.com/products/bardoxolone-methyl.html

$$$$
CZC24832.cdx
csChFnd80/09132309312D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  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
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20  8  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
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  8 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 24  1  0  0  0  0
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M  END
>  <Mol_ID> (529)
529

>  <Formula> (529)
C15H17FN6O2S

>  <MolWeight> (529)
364.3978832

>  <Cat> (529)
S7018

>  <Name> (529)
CZC24832

>  <Synonyms> (529)
N/A

>  <Target> (529)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (529)
Free Base

>  <CAS> (529)
1159824-67-5

>  <URL> (529)
http://www.selleckchem.com/products/czc24832.html

$$$$
SRPIN340.cdx
csChFnd80/09132309312D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.1876    6.3000    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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
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  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (530)
530

>  <Formula> (530)
C18H18F3N3O

>  <MolWeight> (530)
349.3502296

>  <Cat> (530)
S7270

>  <Name> (530)
SRPIN340

>  <Synonyms> (530)
N/A

>  <Target> (530)
Others

>  <Form> (530)
Free Base

>  <CAS> (530)
218156-96-8

>  <URL> (530)
http://www.selleckchem.com/products/srpin340.html

$$$$
ETP-46464.cdx
csChFnd80/09132309312D

 36 41  0  0  0  0  0  0  0  0999 V2000
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mTOR

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1345675-02-6

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http://www.selleckchem.com/products/etp-46464.html

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XL388

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N/A

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mTOR

>  <Form> (532)
Free Base

>  <CAS> (532)
1251156-08-7

>  <URL> (532)
http://www.selleckchem.com/products/xl388.html

$$$$
CO-1686(AVL-301).cdx
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533

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Rociletinib (CO-1686, AVL-301)

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CNX-419, AVL-301

>  <Target> (533)
EGFR

>  <Form> (533)
Free Base

>  <CAS> (533)
1374640-70-6

>  <URL> (533)
http://www.selleckchem.com/products/co-1686.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
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534

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C24H27Cl2N5O

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S7306

>  <Name> (534)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (534)
BML-275,Compound C

>  <Target> (534)
AMPK

>  <Form> (534)
Dihydrochloride

>  <CAS> (534)
1219168-18-9

>  <URL> (534)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EHop-016.cdx
csChFnd80/09132309312D

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445430-58-0

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1228591-30-7

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http://www.selleckchem.com/products/avl-292.html

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DYRK

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Free Base

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http://www.selleckchem.com/products/az191.html

$$$$
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JAK

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937272-79-2

>  <URL> (545)
http://www.selleckchem.com/products/pacritinib-sb1518.html

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Raf

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Free Base

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284461-73-0

>  <URL> (546)
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>  <Mol_ID> (547)
547

>  <Formula> (547)
C21H21ClF3N7O3S

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543.9497496

>  <Cat> (547)
S7357

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PF-562271 HCl

>  <Synonyms> (547)
N/A

>  <Target> (547)
FAK

>  <Form> (547)
Hydrochloride

>  <URL> (547)
http://www.selleckchem.com/products/pf-562271-hcl.html

$$$$
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548

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C13H15NO2S

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249.3287

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TG003

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N/A

>  <Target> (548)
CDK

>  <Form> (548)
Free Base

>  <CAS> (548)
300801-52-9

>  <URL> (548)
http://www.selleckchem.com/products/tg003.html

$$$$
WZ4003.cdx
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>  <Mol_ID> (549)
549

>  <Formula> (549)
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>  <Synonyms> (549)
N/A

>  <Target> (549)
AMPK

>  <Form> (549)
Free Base

>  <CAS> (549)
1214265-58-3

>  <URL> (549)
http://www.selleckchem.com/products/wz4003.html

$$$$
ID-8.cdx
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>  <Mol_ID> (550)
550

>  <Formula> (550)
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>  <MolWeight> (550)
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>  <Cat> (550)
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>  <Name> (550)
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>  <Synonyms> (550)
N/A

>  <Target> (550)
DYRK

>  <Form> (550)
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>  <CAS> (550)
147591-46-6

>  <URL> (550)
http://www.selleckchem.com/products/id-8.html

$$$$
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1233339-22-4

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

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Aurora Kinase

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Free Base

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885325-71-3

>  <URL> (560)
http://www.selleckchem.com/products/mk-8745.html

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315706-13-9

>  <URL> (561)
http://www.selleckchem.com/products/4egi-1.html

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1211441-98-3

>  <URL> (562)
http://www.selleckchem.com/products/lee011.html

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iodide

>  <CAS> (563)
278603-08-0

>  <URL> (563)
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>  <Mol_ID> (564)
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C18H15Cl4N3OS

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Sal003

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N/A

>  <Target> (564)
phosphatase

>  <Form> (564)
Free Base

>  <CAS> (564)
1164470-53-4

>  <URL> (564)
http://www.selleckchem.com/products/sal003.html

$$$$
LDN193189 HCl.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (565)
565

>  <Formula> (565)
C25H23ClN6

>  <MolWeight> (565)
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>  <Cat> (565)
S7507

>  <Name> (565)
LDN193189 HCl

>  <Synonyms> (565)
N/A

>  <Target> (565)
TGF-beta/Smad

>  <Form> (565)
Hydrochloride

>  <CAS> (565)
1062368-62-0

>  <URL> (565)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
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566

>  <Formula> (566)
C13H12N4O2S2

>  <MolWeight> (566)
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S7258

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SKLB1002

>  <Synonyms> (566)
N/A

>  <Target> (566)
VEGFR

>  <Form> (566)
Free Base

>  <CAS> (566)
1225451-84-2

>  <URL> (566)
http://www.selleckchem.com/products/sklb1002.html

$$$$
1-Azakenpaullone.cdx
csChFnd80/09132309312D

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567

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1-Azakenpaullone

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>  <Target> (567)
GSK-3

>  <Form> (567)
Free Base

>  <CAS> (567)
676596-65-9

>  <URL> (567)
http://www.selleckchem.com/products/1-azakenpaullone.html

$$$$
4E1RCat.cdx
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328998-25-0

>  <URL> (568)
http://www.selleckchem.com/products/4e1rcat.html

$$$$
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csChFnd80/09132309312D

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252017-04-2

>  <URL> (570)
http://www.selleckchem.com/products/azd7545.html

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csChFnd80/09132309312D

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571

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C19H17N3O3

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ML167

>  <Synonyms> (571)
CID 44968231

>  <Target> (571)
CDK

>  <Form> (571)
Free Base

>  <CAS> (571)
1285702-20-6

>  <URL> (571)
http://www.selleckchem.com/products/ml167.html

$$$$
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csChFnd80/09132309312D

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>  <Target> (572)
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>  <Form> (572)
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>  <CAS> (572)
1062368-49-3

>  <URL> (572)
http://www.selleckchem.com/products/ml347.html

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573

>  <Formula> (573)
C23H21N7O

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>  <Name> (573)
Entospletinib (GS-9973)

>  <Synonyms> (573)
N/A

>  <Target> (573)
Syk

>  <Form> (573)
Free Base

>  <CAS> (573)
1229208-44-9

>  <URL> (573)
http://www.selleckchem.com/products/gs-9973.html

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (574)
574

>  <Formula> (574)
C17H22Cl2N2O3S

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S7333

>  <Name> (574)
K-Ras(G12C) inhibitor 6

>  <Synonyms> (574)
N/A

>  <Target> (574)
Rho

>  <Form> (574)
Free Base

>  <CAS> (574)
No

>  <URL> (574)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
DMH1.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (575)
575

>  <Formula> (575)
C24H20N4O

>  <MolWeight> (575)
380.4418

>  <Cat> (575)
S7146

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DMH1

>  <Synonyms> (575)
N/A

>  <Target> (575)
TGF-beta/Smad

>  <Form> (575)
Free Base

>  <CAS> (575)
1206711-16-1

>  <URL> (575)
http://www.selleckchem.com/products/dmh1.html

$$$$
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csChFnd80/09132309312D

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>  <Mol_ID> (576)
576

>  <Formula> (576)
C25H22N6

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>  <Cat> (576)
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LDN-212854

>  <Synonyms> (576)
BMP Inhibitor III

>  <Target> (576)
TGF-beta/Smad

>  <Form> (576)
Free Base

>  <CAS> (576)
1432597-26-6

>  <URL> (576)
http://www.selleckchem.com/products/ldn-212854.html

$$$$
CGP 57380.cdx
csChFnd80/09132309312D

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577

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CGP 57380

>  <Synonyms> (577)
N/A

>  <Target> (577)
MNK

>  <Form> (577)
Free Base

>  <CAS> (577)
522629-08-9

>  <URL> (577)
http://www.selleckchem.com/products/cgp57380.html

$$$$
LM-3093 AZD9291.cdx
csChFnd80/09132309312D

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1276110-06-5

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M  END
>  <Mol_ID> (586)
586

>  <Formula> (586)
C25H33N7O2

>  <MolWeight> (586)
463.57522

>  <Cat> (586)
S7325

>  <Name> (586)
UNC2881

>  <Synonyms> (586)
N/A

>  <Target> (586)
TAM Receptor

>  <Form> (586)
Free Base

>  <CAS> (586)
1493764-08-1

>  <URL> (586)
http://www.selleckchem.com/products/unc2881.html

$$$$
PF-543 .cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (587)
587

>  <Formula> (587)
C27H31NO4S

>  <MolWeight> (587)
465.60434

>  <Cat> (587)
S7177

>  <Name> (587)
PF-543

>  <Synonyms> (587)
N/A

>  <Target> (587)
S1P Receptor

>  <Form> (587)
Free Base

>  <CAS> (587)
1415562-82-1

>  <URL> (587)
http://www.selleckchem.com/products/pf-543.html

$$$$
AZD1208.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (588)
588

>  <Formula> (588)
C21H21N3O2S

>  <MolWeight> (588)
379.47534

>  <Cat> (588)
S7104

>  <Name> (588)
AZD1208

>  <Synonyms> (588)
N/A

>  <Target> (588)
Pim

>  <Form> (588)
Free Base

>  <CAS> (588)
1204144-28-4

>  <URL> (588)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (589)
589

>  <Formula> (589)
C26H25Cl2N3O3

>  <MolWeight> (589)
498.401

>  <Cat> (589)
S7041

>  <Name> (589)
CX-6258 HCl

>  <Synonyms> (589)
N/A

>  <Target> (589)
Pim

>  <Form> (589)
Hydrochloride

>  <CAS> (589)
1353859-00-3

>  <URL> (589)
http://www.selleckchem.com/products/CX-6258.html

$$$$
EHT 1864.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (590)
590

>  <Formula> (590)
C25H29Cl2F3N2O4S

>  <MolWeight> (590)
581.4749696

>  <Cat> (590)
S7482

>  <Name> (590)
EHT 1864 2HCl

>  <Synonyms> (590)
N/A

>  <Target> (590)
Rho

>  <Form> (590)
Dihydrochloride

>  <CAS> (590)
754240-09-0

>  <URL> (590)
http://www.selleckchem.com/products/eht-1864.html

$$$$
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csChFnd80/09132309312D

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>  <Mol_ID> (591)
591

>  <Formula> (591)
C29H28N6O2

>  <MolWeight> (591)
492.57162

>  <Cat> (591)
S7067

>  <Name> (591)
Tepotinib (EMD 1214063)

>  <Synonyms> (591)
N/A

>  <Target> (591)
c-Met

>  <Form> (591)
Free Base

>  <CAS> (591)
1100598-32-0

>  <URL> (591)
http://www.selleckchem.com/products/emd-1214063.html

$$$$
LDC000067.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (592)
592

>  <Formula> (592)
C18H18N4O3S

>  <MolWeight> (592)
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>  <Cat> (592)
S7461

>  <Name> (592)
LDC000067

>  <Synonyms> (592)
LDC067

>  <Target> (592)
CDK

>  <Form> (592)
Free Base

>  <CAS> (592)
1073485-20-7

>  <URL> (592)
http://www.selleckchem.com/products/ldc000067.html

$$$$
XMD8-92.cdx
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865362-74-9

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PD173955

>  <Synonyms> (601)
N/A 

>  <Target> (601)
Bcr-Abl

>  <Form> (601)
Free Base

>  <CAS> (601)
260415-63-2

>  <URL> (601)
http://www.selleckchem.com/products/pd173955.html

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/09132309312D

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602

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C16H21ClIN3O4S

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>  <Cat> (602)
S7332

>  <Name> (602)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (602)
N/A

>  <Target> (602)
Rho

>  <Form> (602)
Free Base

>  <CAS> (602)
1469337-91-4

>  <URL> (602)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
SH-4-54.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (603)
603

>  <Formula> (603)
C29H27F5N2O5S

>  <MolWeight> (603)
610.592096

>  <Cat> (603)
S7337

>  <Name> (603)
SH-4-54

>  <Synonyms> (603)
N/A

>  <Target> (603)
STAT

>  <Form> (603)
Free Base

>  <CAS> (603)
1456632-40-8

>  <URL> (603)
http://www.selleckchem.com/products/sh-4-54.html

$$$$
Zotarolimus.cdx
csChFnd80/09132309312D

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mTOR

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Free Base

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221877-54-9

>  <URL> (604)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

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Go6976.cdx
csChFnd80/09132309312D

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N/A

>  <Target> (605)
PKC

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Free Base

>  <CAS> (605)
136194-77-9

>  <URL> (605)
http://www.selleckchem.com/products/go6976.html

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WH-4-023.cdx
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837422-57-8

>  <URL> (606)
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SF1670 (PTEN inhibitor).cdx
csChFnd80/09132309312D

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607

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PTEN

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345630-40-2

>  <URL> (607)
http://www.selleckchem.com/products/sf1670.html

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IM-12.cdx
csChFnd80/09132309312D

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   11.4365   10.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3744    9.6866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3744    8.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417    7.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6744    6.1323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0744    6.1323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5070    7.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103    7.8964    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8515    4.9996    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4591    5.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6362    4.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057    2.7344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5980    2.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4209    3.7207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8132    3.5743    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828    1.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6018    0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 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  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 15 19  1  0  0  0  0
 20 16  1  6  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 20  1  0  0  0  0
 25 26  1  1  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 27  1  0  0  0  0
M  END
>  <Mol_ID> (612)
612

>  <Formula> (612)
C17H20ClF4N7O

>  <MolWeight> (612)
449.8336128

>  <Cat> (612)
S7368

>  <Name> (612)
GNE-9605

>  <Synonyms> (612)
N/A

>  <Target> (612)
LRRK2

>  <Form> (612)
Free Base

>  <CAS> (612)
1536200-31-3

>  <URL> (612)
http://www.selleckchem.com/products/gne-9605.html

$$$$
filgotinib.cdx
csChFnd80/09132309312D

 30 34  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    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
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    3.3124    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
    2.4249    9.1000    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
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (613)
613

>  <Formula> (613)
C21H23N5O3S

>  <MolWeight> (613)
425.50402

>  <Cat> (613)
S7605

>  <Name> (613)
Filgotinib£¨GLPG0643)

>  <Synonyms> (613)
N/A

>  <Target> (613)
JAK

>  <Form> (613)
Free Base

>  <CAS> (613)
1206161-97-8

>  <URL> (613)
http://www.selleckchem.com/products/filgotinib.html

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/09132309312D

 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> (614)
614

>  <Formula> (614)
C15H17ClIN3O3

>  <MolWeight> (614)
449.67125

>  <Cat> (614)
S7331

>  <Name> (614)
K-Ras(G12C) inhibitor 12

>  <Synonyms> (614)
N/A

>  <Target> (614)
Rho

>  <Form> (614)
Free Base

>  <CAS> (614)
1469337-95-8

>  <URL> (614)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

$$$$
Anacardic Acid.cdx
csChFnd80/09132309312D

 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> (615)
615

>  <Formula> (615)
C22H36O3

>  <MolWeight> (615)
348.51944

>  <Cat> (615)
S7582

>  <Name> (615)
Anacardic Acid

>  <Synonyms> (615)
6-pentadecylsalicylic Acid

>  <Target> (615)
Histone Acetyltransferase

>  <Form> (615)
Free Base

>  <CAS> (615)
16611-84-0

>  <URL> (615)
http://www.selleckchem.com/products/anacardic-acid.html

$$$$
GNF5837.cdx
csChFnd80/09132309312D

 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
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GO 6850

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PKC

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133052-90-1

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1062243-51-9

>  <URL> (625)
http://www.selleckchem.com/products/ro3280.html

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Free Base

>  <CAS> (626)
196309-76-9

>  <URL> (626)
http://www.selleckchem.com/products/bay-11-7085.html

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csChFnd80/09132309312D

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627

>  <Formula> (627)
C20H16N2OS

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>  <Cat> (627)
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>  <Name> (627)
JNK inhibitor IX

>  <Synonyms> (627)
TCS JNK 5a

>  <Target> (627)
JNK

>  <Form> (627)
Free Base

>  <CAS> (627)
312917-14-9

>  <URL> (627)
http://www.selleckchem.com/products/jnk-inhibitor-ix.html

$$$$
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1454846-35-5

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M  END
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632

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JNK

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Free Base

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no

>  <URL> (632)
http://www.selleckchem.com/products/dtp3.html

$$$$
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633

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C25H20N4O3

>  <MolWeight> (633)
424.4513

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S7606

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RBC8

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N/A

>  <Target> (633)
Others

>  <Form> (633)
Free Base

>  <CAS> (633)
361185-42-4

>  <URL> (633)
http://www.selleckchem.com/products/rbc8.html

$$$$
ML141.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (634)
634

>  <Formula> (634)
C22H21N3O3S

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407.48544

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S7686

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ML141

>  <Synonyms> (634)
CID-2950007

>  <Target> (634)
Rho

>  <Form> (634)
Free Base

>  <CAS> (634)
71203-35-5

>  <URL> (634)
http://www.selleckchem.com/products/ml141.html

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/09132309312D

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635

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C22H22O8

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AXL1717

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IGF-1R

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Free Base

>  <CAS> (635)
477-47-4

>  <URL> (635)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

$$$$
Reversine.cdx
csChFnd80/09132309312D

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Adenosine Receptor

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Free Base

>  <CAS> (636)
656820-32-5

>  <URL> (636)
http://www.selleckchem.com/products/reversine.html

$$$$
SU 9516.cdx
csChFnd80/09132309312D

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1056901-62-2

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641

>  <Formula> (641)
C25H26F3N5O3

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S7653

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PND-1186 (VS-4718)

>  <Synonyms> (641)
SR-2156

>  <Target> (641)
FAK

>  <Form> (641)
Free Base

>  <CAS> (641)
1061353-68-1

>  <URL> (641)
http://www.selleckchem.com/products/pnd-1186-vs-4718.html

$$$$
Defactinib.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (642)
642

>  <Formula> (642)
C20H21F3N8O3S

>  <MolWeight> (642)
510.4927496

>  <Cat> (642)
S7654

>  <Name> (642)
Defactinib (VS-6063, PF-04554878)

>  <Synonyms> (642)
VS-6063, PF-04554878

>  <Target> (642)
FAK

>  <Form> (642)
Free Base

>  <CAS> (642)
1073154-85-4

>  <URL> (642)
http://www.selleckchem.com/products/defactinib.html

$$$$
GSK2578215A.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (643)
643

>  <Formula> (643)
C24H18FN3O2

>  <MolWeight> (643)
399.4170232

>  <Cat> (643)
S7664

>  <Name> (643)
GSK2578215A

>  <Synonyms> (643)
N/A

>  <Target> (643)
LRRK2

>  <Form> (643)
Free Base

>  <CAS> (643)
1285515-21-0

>  <URL> (643)
http://www.selleckchem.com/products/gsk2578215a.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/09132309312D

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>  <Mol_ID> (644)
644

>  <Formula> (644)
C23H21Cl2FN4O3

>  <MolWeight> (644)
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>  <Cat> (644)
S7358

>  <Name> (644)
Poziotinib (HM781-36B)

>  <Synonyms> (644)
NOV120101

>  <Target> (644)
EGFR

>  <Form> (644)
Free Base

>  <CAS> (644)
1092364-38-9

>  <URL> (644)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
LY2584702.cdx
csChFnd80/09132309312D

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S6 Kinase

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Free Base

>  <CAS> (645)
1082949-67-4

>  <URL> (645)
http://www.selleckchem.com/products/ly2584702.html

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PI-3065.cdx
csChFnd80/09132309312D

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646

>  <Formula> (646)
C27H31FN6OS

>  <MolWeight> (646)
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>  <Cat> (646)
S7623

>  <Name> (646)
PI-3065

>  <Synonyms> (646)
N/A

>  <Target> (646)
PI3K

>  <Form> (646)
Free Base

>  <CAS> (646)
955977-50-1

>  <URL> (646)
http://www.selleckchem.com/products/pi-3065.html

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (647)
647

>  <Formula> (647)
C24H28Cl2N2O4

>  <MolWeight> (647)
479.39612

>  <Cat> (647)
S7720

>  <Name> (647)
SBE 13 HCl

>  <Synonyms> (647)
N/A

>  <Target> (647)
PLK

>  <Form> (647)
Hydrochloride

>  <CAS> (647)
1052532-15-6

>  <URL> (647)
http://www.selleckchem.com/products/sbe-13-hcl.html

$$$$
Bikinin.cdx
csChFnd80/09132309312D

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648

>  <Formula> (648)
C9H9BrN2O3

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>  <Cat> (648)
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Bikinin

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N/A

>  <Target> (648)
GSK-3

>  <Form> (648)
Free Base

>  <CAS> (648)
188011-69-0

>  <URL> (648)
http://www.selleckchem.com/products/bikinin.html

$$$$
Salirasib.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (649)
649

>  <Formula> (649)
C22H30O2S

>  <MolWeight> (649)
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>  <Cat> (649)
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N/A

>  <Target> (649)
Rho

>  <Form> (649)
Free Base

>  <CAS> (649)
162520-00-5

>  <URL> (649)
http://www.selleckchem.com/products/salirasib.html

$$$$
SD208.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (654)
654

>  <Formula> (654)
C28H27F4N7O3S

>  <MolWeight> (654)
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>  <Cat> (654)
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>  <Name> (654)
LY2584702 tosylate

>  <Synonyms> (654)
N/A

>  <Target> (654)
S6 Kinase

>  <Form> (654)
Free Base

>  <CAS> (654)
1082949-68-5

>  <URL> (654)
http://www.selleckchem.com/products/ly2584702-tosylate.html

$$$$
RN486.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (655)
655

>  <Formula> (655)
C35H35FN6O3

>  <MolWeight> (655)
606.6892032

>  <Cat> (655)
S7080

>  <Name> (655)
RN486

>  <Synonyms> (655)
N/A

>  <Target> (655)
BTK

>  <Form> (655)
Free Base

>  <CAS> (655)
no

>  <URL> (655)
http://www.selleckchem.com/products/rn486.html

$$$$
Dovitinib Lactate.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (656)
656

>  <Formula> (656)
C24H27FN6O4

>  <MolWeight> (656)
482.5073832

>  <Cat> (656)
S7765

>  <Name> (656)
Dovitinib (TKI258) Lactate

>  <Synonyms> (656)
N/A

>  <Target> (656)
FLT3

>  <Form> (656)
Lactate

>  <CAS> (656)
915769-50-5

>  <URL> (656)
http://www.selleckchem.com/products/dovitinib-tki258-lactate.html

$$$$
BLZ945.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (662)
662

>  <Formula> (662)
C22H28ClN7O3S

>  <MolWeight> (662)
506.02082

>  <Cat> (662)
S7782

>  <Name> (662)
Dasatinib Monohydrate

>  <Synonyms> (662)
BMS-354825 Monohydrate

>  <Target> (662)
Src

>  <Form> (662)
Monohydrate

>  <CAS> (662)
863127-77-9

>  <URL> (662)
http://www.selleckchem.com/products/dasatinib-monohydrate.html

$$$$
LM-3572.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (663)
663

>  <Formula> (663)
C22H27FN4O2

>  <MolWeight> (663)
398.4737832

>  <Cat> (663)
S7781

>  <Name> (663)
Sunitinib

>  <Synonyms> (663)
SU11248

>  <Target> (663)
PDGFR

>  <Form> (663)
Free Base

>  <CAS> (663)
557795-19-4

>  <URL> (663)
http://www.selleckchem.com/products/sunitinib.html

$$$$
Erlotinib free Base.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (664)
664

>  <Formula> (664)
C22H23N3O4

>  <MolWeight> (664)
393.43572

>  <Cat> (664)
S7786

>  <Name> (664)
Erlotinib

>  <Synonyms> (664)
CP358774, NSC 718781

>  <Target> (664)
EGFR

>  <Form> (664)
Free Base

>  <CAS> (664)
183321-74-6

>  <URL> (664)
http://www.selleckchem.com/products/erlotinib.html

$$$$
CL-387785.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (665)
665

>  <Formula> (665)
C18H13BrN4O

>  <MolWeight> (665)
381.22602

>  <Cat> (665)
S7557

>  <Name> (665)
CL-387785 (EKI-785)

>  <Synonyms> (665)
N/A

>  <Target> (665)
EGFR

>  <Form> (665)
Free Base

>  <CAS> (665)
194423-06-8

>  <URL> (665)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (666)
666

>  <Formula> (666)
C24H30ClN7O2

>  <MolWeight> (666)
483.9937

>  <Cat> (666)
S1116

>  <Name> (666)
PD 0332991 (Palbociclib) HCl

>  <Synonyms> (666)
N/A

>  <Target> (666)
CDK

>  <Form> (666)
Hydrochloride

>  <CAS> (666)
827022-32-2, 571190-30-2 (free base)

>  <URL> (666)
http://www.selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (667)
667

>  <Formula> (667)
C26H35N7O6S

>  <MolWeight> (667)
573.6644

>  <Cat> (667)
S1579

>  <Name> (667)
PD 0332991 (Palbociclib) Isethionate

>  <Synonyms> (667)
N/A

>  <Target> (667)
CDK

>  <Form> (667)
Isethionate

>  <CAS> (667)
827022-33-3, 571190-30-2(free base)

>  <URL> (667)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
STF-083010.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (668)
668

>  <Formula> (668)
C15H11NO3S2

>  <MolWeight> (668)
317.38274

>  <Cat> (668)
S7771

>  <Name> (668)
STF-083010

>  <Synonyms> (668)
N/A

>  <Target> (668)
Others

>  <Form> (668)
Free Base

>  <CAS> (668)
307543-71-1

>  <URL> (668)
http://www.selleckchem.com/products/stf-083010.html

$$$$
FRAX597.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (669)
669

>  <Formula> (669)
C29H28ClN7OS

>  <MolWeight> (669)
558.09692

>  <Cat> (669)
S7271

>  <Name> (669)
FRAX597

>  <Synonyms> (669)
N/A

>  <Target> (669)
PAK

>  <Form> (669)
Free Base

>  <CAS> (669)
1286739-19-2

>  <URL> (669)
http://www.selleckchem.com/products/frax597.html

$$$$
Ro-3306.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (670)
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CDK

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Free Base

>  <CAS> (670)
872573-93-8

>  <URL> (670)
http://www.selleckchem.com/products/ro-3306.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (671)
671

>  <Formula> (671)
C32H33ClFN5O11

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>  <Cat> (671)
S7810

>  <Name> (671)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (671)
N/A

>  <Target> (671)
EGFR

>  <Form> (671)
Dimaleate

>  <CAS> (671)
850140-73-7

>  <URL> (671)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
LY2409881.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (672)
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>  <Formula> (672)
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>  <MolWeight> (672)
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>  <Cat> (672)
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>  <Name> (672)
LY2409881

>  <Synonyms> (672)
N/A

>  <Target> (672)
I¦ÊB/IKK

>  <Form> (672)
Trihydrochloride

>  <CAS> (672)
946518-60-1

>  <URL> (672)
http://www.selleckchem.com/products/ly2409881.html

$$$$
Afuresertib £¨GSK2110183).cdx
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673

>  <Formula> (673)
C18H17Cl2FN4OS

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>  <Name> (673)
Afuresertib (GSK2110183)

>  <Synonyms> (673)
N/A

>  <Target> (673)
Akt

>  <Form> (673)
Free Base

>  <CAS> (673)
1047644-62-1

>  <URL> (673)
http://www.selleckchem.com/products/afuresertib-gsk2110183.html

$$$$
GNE-317.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (674)
674

>  <Formula> (674)
C19H22N6O3S

>  <MolWeight> (674)
414.48138

>  <Cat> (674)
S7798

>  <Name> (674)
GNE-317

>  <Synonyms> (674)
N/A

>  <Target> (674)
PI3K

>  <Form> (674)
Free Base

>  <CAS> (674)
1394076-92-6

>  <URL> (674)
http://www.selleckchem.com/products/gne-317.html

$$$$
LDN-214117.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (675)
675

>  <Formula> (675)
C25H29N3O3

>  <MolWeight> (675)
419.51606

>  <Cat> (675)
S7627

>  <Name> (675)
LDN-214117

>  <Synonyms> (675)
N/A

>  <Target> (675)
TGF-beta/Smad

>  <Form> (675)
Free Base

>  <CAS> (675)
1627503-67-6

>  <URL> (675)
http://www.selleckchem.com/products/ldn-214117.html

$$$$
Purvalanol A.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (676)
676

>  <Formula> (676)
C19H25ClN6O

>  <MolWeight> (676)
388.8944

>  <Cat> (676)
S7793

>  <Name> (676)
Purvalanol A

>  <Synonyms> (676)
N/A

>  <Target> (676)
CDK

>  <Form> (676)
Free Base

>  <CAS> (676)
212844-53-6

>  <URL> (676)
http://www.selleckchem.com/products/purvalanol-a.html

$$$$
AZD2932.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (677)
677

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C24H25N5O4

>  <MolWeight> (677)
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>  <Cat> (677)
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>  <Name> (677)
AZD2932

>  <Synonyms> (677)
N/A

>  <Target> (677)
PDGFR

>  <Form> (677)
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>  <CAS> (677)
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JNK

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Free Base

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22862-76-6

>  <URL> (678)
http://www.selleckchem.com/products/anisomycin.html

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mTOR

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Free Base

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326914-06-1

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>  <Mol_ID> (682)
682

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D 4476

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>  <Target> (682)
Others

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Free Base

>  <CAS> (682)
301836-43-1

>  <URL> (682)
http://www.selleckchem.com/products/d-4476.html

$$$$
XL147.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (683)
683

>  <Formula> (683)
C25H25ClN6O4S

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Pilaralisib (XL147)

>  <Synonyms> (683)
N/A

>  <Target> (683)
PI3K

>  <Form> (683)
Free Base

>  <CAS> (683)
934526-89-3

>  <URL> (683)
http://www.selleckchem.com/products/pilaralisib-xl147.html

$$$$
AT7519 HCl.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (684)
684

>  <Formula> (684)
C16H18Cl3N5O2

>  <MolWeight> (684)
418.70542

>  <Cat> (684)
S7808

>  <Name> (684)
AT7519 HCl

>  <Synonyms> (684)
N/A

>  <Target> (684)
CDK

>  <Form> (684)
Hydrochloride

>  <CAS> (684)
902135-91-5

>  <URL> (684)
http://www.selleckchem.com/products/at7519-hcl.html

$$$$
ARRY-614.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (685)
685

>  <Formula> (685)
C31H33FN6O3

>  <MolWeight> (685)
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Free Base

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945614-12-0

>  <URL> (685)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

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Raf

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Free Base

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1454682-72-4

>  <URL> (686)
http://www.selleckchem.com/products/ly3009120.html

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AMPK

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Free Base

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1613724-42-7

>  <URL> (687)
http://www.selleckchem.com/products/hth-01-015.html

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CSF-1R

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Free Base

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1029044-16-3

>  <URL> (688)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

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csChFnd80/09132309312D

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934660-93-2

>  <URL> (689)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
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>  <Target> (690)
ERK

>  <Form> (690)
Free Base

>  <CAS> (690)
869886-67-9

>  <URL> (690)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

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Dorsomorphin.cdx
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691

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C24H25N5O

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Dorsomorphin (Compound C)

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Compound C, BML-275

>  <Target> (691)
AMPK

>  <Form> (691)
Free Base

>  <CAS> (691)
866405-64-3

>  <URL> (691)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$

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692

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DEL-22379

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ERK

>  <Form> (692)
Free Base

>  <CAS> (692)
181223-80-3

>  <URL> (692)
http://www.selleckchem.com/products/del-22379.html

$$$$
ASP015K.cdx
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C18H22N4O2

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Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (693)
N/A

>  <Target> (693)
JAK

>  <Form> (693)
Free Base

>  <CAS> (693)
944118-01-8

>  <URL> (693)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
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896720-20-0

>  <URL> (701)
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EGFR

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Free Base

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1626387-80-1

>  <URL> (702)
http://www.selleckchem.com/products/azd3759.html

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Free Base

>  <CAS> (703)
934493-76-2

>  <URL> (703)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

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431898-65-6

>  <URL> (704)
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1627709-94-7

>  <URL> (705)
http://www.selleckchem.com/products/lji308.html

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    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (706)
706

>  <Formula> (706)
C27H21F3N8O

>  <MolWeight> (706)
530.5038496

>  <Cat> (706)
S8134

>  <Name> (706)
Radotinib

>  <Synonyms> (706)
IY-5511

>  <Target> (706)
Bcr-Abl

>  <Form> (706)
Free Base

>  <CAS> (706)
926037-48-1

>  <URL> (706)
http://www.selleckchem.com/products/radotinib.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/09132309312D

 25 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (707)
707

>  <Formula> (707)
C15H23ClFN3O4S

>  <MolWeight> (707)
395.8772232

>  <Cat> (707)
S7995

>  <Name> (707)
Ripasudil (K-115)

>  <Synonyms> (707)
N/A

>  <Target> (707)
ROCK

>  <Form> (707)
Hydrochloride dihydrate

>  <CAS> (707)
887375-67-9

>  <URL> (707)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
K03861.cdx
csChFnd80/09132309312D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (708)
708

>  <Formula> (708)
C24H26F3N7O2

>  <MolWeight> (708)
501.5041496

>  <Cat> (708)
S8100

>  <Name> (708)
K03861

>  <Synonyms> (708)
N/A

>  <Target> (708)
CDK

>  <Form> (708)
Free Base

>  <CAS> (708)
853299-07-7

>  <URL> (708)
http://www.selleckchem.com/products/k03861.html

$$$$
GNF-7.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (719)
719

>  <Formula> (719)
C16H11BrN2O

>  <MolWeight> (719)
327.17534

>  <Cat> (719)
S7917

>  <Name> (719)
Kenpaullone

>  <Synonyms> (719)
N/A

>  <Target> (719)
CDK

>  <Form> (719)
Free Base

>  <CAS> (719)
142273-20-9

>  <URL> (719)
http://www.selleckchem.com/products/kenpaullone.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (720)
720

>  <Formula> (720)
C19H27N5O6S

>  <MolWeight> (720)
453.51258

>  <Cat> (720)
S8195

>  <Name> (720)
Oclacitinib maleate

>  <Synonyms> (720)
PF-03394197

>  <Target> (720)
JAK

>  <Form> (720)
Free Base

>  <CAS> (720)
1640292-55-2

>  <URL> (720)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
MLN2480.cdx
csChFnd80/09132309312D

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.2124    8.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (721)
721

>  <Formula> (721)
C17H12Cl2F3N7O2S

>  <MolWeight> (721)
506.2890896

>  <Cat> (721)
S7121

>  <Name> (721)
MLN2480

>  <Synonyms> (721)
BIIB-024

>  <Target> (721)
Raf

>  <Form> (721)
Free Base

>  <CAS> (721)
1096708-71-2

>  <URL> (721)
http://www.selleckchem.com/products/mln2480.html

$$$$
Acalabrutinib.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (722)
722

>  <Formula> (722)
C26H23N7O2

>  <MolWeight> (722)
465.50652

>  <Cat> (722)
S8116

>  <Name> (722)
Acalabrutinib (ACP-196)

>  <Synonyms> (722)
N/A

>  <Target> (722)
BTK

>  <Form> (722)
Free Base

>  <CAS> (722)
1420477-60-6

>  <URL> (722)
http://www.selleckchem.com/products/acalabrutinib.html

$$$$
PIK-III.cdx
csChFnd80/09132309312D

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1383716-40-2

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M  END
>  <Mol_ID> (727)
727

>  <Formula> (727)
C19H36O5

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ETC-1002

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Bempedoic acid|ESP-55016

>  <Target> (727)
AMPK

>  <Form> (727)
Free Base

>  <CAS> (727)
738606-46-7

>  <URL> (727)
http://www.selleckchem.com/products/etc-1002.html

$$$$
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>  <Mol_ID> (728)
728

>  <Formula> (728)
C27H25F3N8O2

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S7752

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Pluripotin (SC1)

>  <Synonyms> (728)
N/A

>  <Target> (728)
ERK

>  <Form> (728)
Free Base

>  <CAS> (728)
839707-37-8

>  <URL> (728)
http://www.selleckchem.com/products/pluripotin-sc1.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (729)
729

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C22H20N4O

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356.4204

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S1058

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BI-1347

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N/A

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CDK

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Free Base

>  <CAS> (729)
2163056-91-3

>  <URL> (729)
http://www.selleck.cn/products/bi-1347.html

$$$$
PLX7904.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (730)
730

>  <Formula> (730)
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>  <MolWeight> (730)
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>  <Cat> (730)
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>  <Name> (730)
PLX7904

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PB04

>  <Target> (730)
Raf

>  <Form> (730)
Free Base

>  <CAS> (730)
1393465-84-3

>  <URL> (730)
http://www.selleckchem.com/products/plx7904.html

$$$$
Dihydrostreptomycin sulfate.cdx
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M  END
>  <Mol_ID> (731)
731

>  <Formula> (731)
C42H88N14O36S3

>  <MolWeight> (731)
1461.41532

>  <Cat> (731)
S4523

>  <Name> (731)
Dihydrostreptomycin sulfate

>  <Synonyms> (731)
N/A

>  <Target> (731)
Antifection

>  <Form> (731)
1.5Sulfate

>  <CAS> (731)
5490-27-7

>  <URL> (731)
http://www.selleckchem.com/products/dihydrostreptomycin-sulfate.html

$$$$
MRT68921.cdx
csChFnd80/09132309312D

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A   35
xHCl
M  END
>  <Mol_ID> (732)
732

>  <Formula> (732)
C26H36N6O2R

>  <MolWeight> (732)
464.60304

>  <Cat> (732)
S7948

>  <Name> (732)
MRT67307 HCl

>  <Synonyms> (732)
N/A

>  <Target> (732)
I¦ÊB/IKK

>  <Form> (732)
hydrochloride

>  <CAS> (732)
1190378-57-4 (free-base)

>  <URL> (732)
http://www.selleckchem.com/products/mrt67307.html

$$$$
MRT67307.cdx
csChFnd80/09132309312D

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XHCl
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MRT68921 HCl

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>  <Target> (733)
Autophagy

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hydrochloride

>  <CAS> (733)
1190379-70-4 (free base)

>  <URL> (733)
http://www.selleckchem.com/products/mrt68921.html

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>  <Target> (734)
JNK

>  <Form> (734)
Free Base

>  <CAS> (734)
883065-90-5

>  <URL> (734)
http://www.selleckchem.com/products/bi-78d3.html

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IC261

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Casein Kinase

>  <Form> (735)
Free Base

>  <CAS> (735)
186611-52-9

>  <URL> (735)
http://www.selleckchem.com/products/ic261.html

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GSK481

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>  <Target> (736)
TNF-alpha

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Free Base

>  <CAS> (736)
1622849-58-4

>  <URL> (736)
http://www.selleckchem.com/products/gsk481.html

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1173699-31-4

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http://www.selleckchem.com/products/amg-337.html

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739

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C19H13NO4

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S8289

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NQDI-1

>  <Synonyms> (739)
N/A

>  <Target> (739)
Caspase

>  <Form> (739)
Free Base

>  <CAS> (739)
175026-96-7

>  <URL> (739)
http://www.selleckchem.com/products/nqdi-1.html

$$$$
Kobe0065.cdx
csChFnd80/09132309312D

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N/A

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Rho

>  <Form> (740)
Free Base

>  <CAS> (740)
436133-68-5

>  <URL> (740)
http://www.selleckchem.com/products/kobe0065.html

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/09132309312D

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741

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C26H26N6O2S

>  <MolWeight> (741)
486.58864

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>  <Name> (741)
Olmutinib (HM61713, BI 1482694)

>  <Synonyms> (741)
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EGFR

>  <Form> (741)
Free Base

>  <CAS> (741)
1353550-13-6

>  <URL> (741)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  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
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 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> (742)
742

>  <Formula> (742)
C11H13IN4O4

>  <MolWeight> (742)
392.14979

>  <Cat> (742)
S8314

>  <Name> (742)
5-Iodotubercidin

>  <Synonyms> (742)
NSC 113939, 5-ITu

>  <Target> (742)
Adenosine Receptor

>  <Form> (742)
Free Base

>  <CAS> (742)
24386-93-4

>  <URL> (742)
http://www.selleckchem.com/products/5-iodotubercidin.html

$$$$
S4690 Vitamin E.cdx
csChFnd80/09132309312D

 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
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    2.4230    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6268    3.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  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
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 22 23  1  0  0  0  0
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 23 25  1  6  0  0  0
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 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> (743)
743

>  <Formula> (743)
C29H50O2

>  <MolWeight> (743)
430.7061

>  <Cat> (743)
S4686

>  <Name> (743)
Vitamin E

>  <Synonyms> (743)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (743)
COX,VEGFR

>  <Form> (743)
Free Base

>  <CAS> (743)
21590

>  <URL> (743)
http://www.selleckchem.com/products/vitamin-e.html

$$$$
S4671 Cefradine.cdx
csChFnd80/09132309312D

 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
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    0.0000    4.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  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
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 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 19  1  1  0  0  0
 18 20  1  0  0  0  0
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 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> (744)
744

>  <Formula> (744)
C16H19N3O4S

>  <MolWeight> (744)
349.40476

>  <Cat> (744)
S4671

>  <Name> (744)
Cefradine

>  <Synonyms> (744)
Cephradine, Sefril, Anspor, Cephradin, Velosef

>  <Target> (744)
Antifection

>  <Form> (744)
Free Base

>  <CAS> (744)
38821-53-3

>  <URL> (744)
http://www.selleckchem.com/products/cefradine.html

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/09132309312D

 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
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  4  7  1  0  0  0  0
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 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
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 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (745)
745

>  <Formula> (745)
C15H10O4

>  <MolWeight> (745)
254.2375

>  <Cat> (745)
S8319

>  <Name> (745)
7,8-Dihydroxyflavone

>  <Synonyms> (745)
7,8-DHF

>  <Target> (745)
Trk receptor

>  <Form> (745)
Free Base

>  <CAS> (745)
38183-03-8

>  <URL> (745)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
MLR-1023.cdx
csChFnd80/09132309312D

 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
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  1  2  1  0  0  0  0
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  3  4  2  0  0  0  0
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 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (746)
746

>  <Formula> (746)
C11H10N2O2

>  <MolWeight> (746)
202.2093

>  <Cat> (746)
S8321

>  <Name> (746)
MLR-1023

>  <Synonyms> (746)
Tolimidone, CP-26154

>  <Target> (746)
Others

>  <Form> (746)
Free Base

>  <CAS> (746)
41964-07-2

>  <URL> (746)
http://www.selleckchem.com/products/mlr-1023.html

$$$$
LY3023414.cdx
csChFnd80/09132309312D

 30 33  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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    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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Akt

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1386874-06-1

>  <URL> (747)
http://www.selleckchem.com/products/ly3023414.html

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csChFnd80/09132309312D

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Selonsertib (GS-4997)

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N/A

>  <Target> (748)
Caspase

>  <Form> (748)
Free Base

>  <CAS> (748)
1448428-04-3

>  <URL> (748)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

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csChFnd80/09132309312D

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749

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C28H29ClN4O3

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>  <Name> (749)
LY333531 HCl

>  <Synonyms> (749)
Ruboxistaurin

>  <Target> (749)
PKC

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hydrochloride

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169939-93-9

>  <URL> (749)
http://www.selleckchem.com/products/ly333531.html

$$$$
FRAX486.cdx
csChFnd80/09132309312D

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>  <URL> (750)
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VO-Ohpic.cdx
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M  END
>  <Mol_ID> (751)
751

>  <Formula> (751)
C12H15N2O11V

>  <MolWeight> (751)
414.1958

>  <Cat> (751)
S8174

>  <Name> (751)
VO-Ohpic trihydrate

>  <Synonyms> (751)
N/A

>  <Target> (751)
Others

>  <Form> (751)
trihydrate

>  <CAS> (751)
476310-60-8

>  <URL> (751)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
EAI045.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (752)
752

>  <Formula> (752)
C19H14FN3O3S

>  <MolWeight> (752)
383.3961632

>  <Cat> (752)
S8242

>  <Name> (752)
EAI045

>  <Synonyms> (752)
N/A

>  <Target> (752)
EGFR

>  <Form> (752)
Free Base

>  <CAS> (752)
1942114-09-1

>  <URL> (752)
http://www.selleckchem.com/products/eai045.html

$$$$
Shikonin.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (753)
753

>  <Formula> (753)
C16H16O5

>  <MolWeight> (753)
288.29524

>  <Cat> (753)
S8279

>  <Name> (753)
Shikonin

>  <Synonyms> (753)
N/A

>  <Target> (753)
Others

>  <Form> (753)
Free Base

>  <CAS> (753)
517-89-5

>  <URL> (753)
http://www.selleckchem.com/products/shikonin.html

$$$$
AZD8835.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (754)
754

>  <Formula> (754)
C22H31N9O3

>  <MolWeight> (754)
469.54004

>  <Cat> (754)
S7966

>  <Name> (754)
AZD8835

>  <Synonyms> (754)
N/A

>  <Target> (754)
PI3K

>  <Form> (754)
Free Base

>  <CAS> (754)
1620576-64-8

>  <URL> (754)
http://www.selleckchem.com/products/azd8835.html

$$$$
Necrosulfonamide.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (755)
755

>  <Formula> (755)
C18H15N5O6S2

>  <MolWeight> (755)
461.4716

>  <Cat> (755)
S8251

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Necrosulfonamide

>  <Synonyms> (755)
N/A

>  <Target> (755)
Others

>  <Form> (755)
Free Base

>  <CAS> (755)
1360614-48-7

>  <URL> (755)
http://www.selleckchem.com/products/necrosulfonamide.html

$$$$
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csChFnd80/09132309312D

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>  <Mol_ID> (756)
756

>  <Formula> (756)
C20H20Cl2N6O3

>  <MolWeight> (756)
463.3172

>  <Cat> (756)
S7006

>  <Name> (756)
BAY-61-3606

>  <Synonyms> (756)
N/A

>  <Target> (756)
Syk

>  <Form> (756)
dihydrochloride

>  <CAS> (756)
648903-57-5

>  <URL> (756)
http://www.selleckchem.com/products/bay-61-3606.html

$$$$
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csChFnd80/09132309312D

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>  <Mol_ID> (757)
757

>  <Formula> (757)
C21H24F3N7O2

>  <MolWeight> (757)
463.4561696

>  <Cat> (757)
S8358

>  <Name> (757)
WNK463

>  <Synonyms> (757)
N/A

>  <Target> (757)
Others

>  <Form> (757)
Free Base

>  <CAS> (757)
2012607-27-9

>  <URL> (757)
http://www.selleckchem.com/products/wnk463.html

$$$$
LOXO-101.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (758)
758

>  <Formula> (758)
C21H24F2N6O6S

>  <MolWeight> (758)
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>  <Cat> (758)
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>  <Name> (758)
LOXO-101(sulfate)

>  <Synonyms> (758)
N/A

>  <Target> (758)
Trk receptor

>  <Form> (758)
sulfate

>  <CAS> (758)
1223405-08-0

>  <URL> (758)
http://www.selleckchem.com/products/loxo-101.html

$$$$
APS-2-79.cdx
csChFnd80/09132309312D

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hydrochloride

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2002381-31-7

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EGFR

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113104-25-9

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http://www.selleckchem.com/products/nsc228155.html

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1271022-90-2

>  <URL> (761)
http://www.selleckchem.com/products/bms-911543.html

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861875-60-7

>  <URL> (763)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (764)
764

>  <Formula> (764)
C19H20F2N4O4

>  <MolWeight> (764)
406.3833064

>  <Cat> (764)
S8125

>  <Name> (764)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (764)
N/A

>  <Target> (764)
p38 MAPK

>  <Form> (764)
Free Base

>  <CAS> (764)
449811-01-2

>  <URL> (764)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
Alantolactone.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (765)
765

>  <Formula> (765)
C15H20O2

>  <MolWeight> (765)
232.3181

>  <Cat> (765)
S8318

>  <Name> (765)
Alantolactone

>  <Synonyms> (765)
helenin, helenine, Eupatal

>  <Target> (765)
Others

>  <Form> (765)
Free Base

>  <CAS> (765)
546-43-0

>  <URL> (765)
http://www.selleckchem.com/products/alantolactone.html

$$$$
OICR-9429.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (766)
766

>  <Formula> (766)
C29H32F3N5O3

>  <MolWeight> (766)
555.5912896

>  <Cat> (766)
S7833

>  <Name> (766)
OICR-9429

>  <Synonyms> (766)
N/A

>  <Target> (766)
Histone Methyltransferase

>  <Form> (766)
Free Base

>  <CAS> (766)
1801787-56-3

>  <URL> (766)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
BFH772.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (767)
767

>  <Formula> (767)
C23H16F3N3O3

>  <MolWeight> (767)
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>  <Cat> (767)
S8188

>  <Name> (767)
BFH772

>  <Synonyms> (767)
BFH 772, BFH-772

>  <Target> (767)
VEGFR

>  <Form> (767)
Free Base

>  <CAS> (767)
890128-81-1

>  <URL> (767)
http://www.selleckchem.com/products/bfh772.html

$$$$
GSK269962.cdx
csChFnd80/09132309312D

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768

>  <Formula> (768)
C29H31ClN8O5

>  <MolWeight> (768)
607.06004

>  <Cat> (768)
S7687

>  <Name> (768)
GSK269962 HCl

>  <Synonyms> (768)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (768)
ROCK

>  <Form> (768)
hydrochloride

>  <CAS> (768)
850664-21-0(free base)

>  <URL> (768)
http://www.selleckchem.com/products/gsk269962.html

$$$$
NT157.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (769)
769

>  <Formula> (769)
C16H14BrNO5S

>  <MolWeight> (769)
412.25506

>  <Cat> (769)
S8228

>  <Name> (769)
NT157

>  <Synonyms> (769)
N/A

>  <Target> (769)
IGF-1R

>  <Form> (769)
Free Base

>  <CAS> (769)
1384426-12-3

>  <URL> (769)
http://www.selleckchem.com/products/nt157.html

$$$$
RO9021.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (770)
770

>  <Formula> (770)
C18H25N7O

>  <MolWeight> (770)
355.4374

>  <Cat> (770)
S7286

>  <Name> (770)
RO9021

>  <Synonyms> (770)
N/A

>  <Target> (770)
Syk

>  <Form> (770)
Free Base

>  <CAS> (770)
1446790-62-0

>  <URL> (770)
http://www.selleckchem.com/products/ro9021.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (771)
771

>  <Formula> (771)
C26H24N8O2

>  <MolWeight> (771)
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>  <Cat> (771)
S8362

>  <Name> (771)
ARRY-380 (ONT-380)

>  <Synonyms> (771)
Tucatinib

>  <Target> (771)
HER2

>  <Form> (771)
Free Base

>  <CAS> (771)
937263-43-9

>  <URL> (771)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/09132309312D

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>  <Mol_ID> (772)
772

>  <Formula> (772)
C30H22F2N6O3

>  <MolWeight> (772)
552.5308864

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S7014

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LY2801653 (Merestinib)

>  <Synonyms> (772)
N/A

>  <Target> (772)
c-Met

>  <Form> (772)
Free Base

>  <CAS> (772)
1206799-15-6

>  <URL> (772)
http://www.selleckchem.com/products/ly2801653-merestinib.html

$$$$
GDC-0084.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (773)
773

>  <Formula> (773)
C18H22N8O2

>  <MolWeight> (773)
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>  <Cat> (773)
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GDC-0084

>  <Synonyms> (773)
N/A

>  <Target> (773)
PI3K

>  <Form> (773)
Free Base

>  <CAS> (773)
1382979-44-3

>  <URL> (773)
http://www.selleckchem.com/products/gdc-0084.html

$$$$
ML-7.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (774)
774

>  <Formula> (774)
C15H18ClIN2O2S

>  <MolWeight> (774)
452.73809

>  <Cat> (774)
S8388

>  <Name> (774)
ML-7 HCl

>  <Synonyms> (774)
N/A

>  <Target> (774)
Others

>  <Form> (774)
hydrochloride

>  <CAS> (774)
110448-33-4

>  <URL> (774)
http://www.selleckchem.com/products/ml-7.html

$$$$
CC-115.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (775)
775

>  <Formula> (775)
C16H16N8O

>  <MolWeight> (775)
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>  <Cat> (775)
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>  <Synonyms> (775)
N/A

>  <Target> (775)
DNA-PK

>  <Form> (775)
Free Base

>  <CAS> (775)
1228013-15-7

>  <URL> (775)
http://www.selleckchem.com/products/cc-115.html

$$$$
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csChFnd80/09132309312D

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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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   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
   16.9541    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7222   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  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
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 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> (780)
780

>  <Formula> (780)
C16H18Cl2N4O

>  <MolWeight> (780)
353.24632

>  <Cat> (780)
S7935

>  <Name> (780)
Y-39983 HCl

>  <Synonyms> (780)
Y-33075 HCl

>  <Target> (780)
ROCK

>  <Form> (780)
dihydrochloride

>  <CAS> (780)
173897-44-4

>  <URL> (780)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/09132309312D

 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
   11.4619    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2495    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6743    5.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8972    7.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6356    2.4215    0.0000 O   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
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 20 24  1  0  0  0  0
 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> (781)
781

>  <Formula> (781)
C21H20N2O3S

>  <MolWeight> (781)
380.4601

>  <Cat> (781)
S8448

>  <Name> (781)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (781)
N/A

>  <Target> (781)
ROCK

>  <Form> (781)
Free Base

>  <CAS> (781)
557782-81-7

>  <URL> (781)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
STO-609.cdx
csChFnd80/09132309312D

 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
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 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
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
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 17 18  2  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> (782)
782

>  <Formula> (782)
C19H10N2O3

>  <MolWeight> (782)
314.2943

>  <Cat> (782)
S8274

>  <Name> (782)
STO-609

>  <Synonyms> (782)
N/A

>  <Target> (782)
CaMK

>  <Form> (782)
Free Base

>  <CAS> (782)
52029-86-4

>  <URL> (782)
http://www.selleckchem.com/products/sto-609.html

$$$$
NSC12.cdx
csChFnd80/09132309312D

 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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 17 12  1  0  0  0  0
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 18 20  1  0  0  0  0
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 23 25  1  0  0  0  0
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 22 28  1  0  0  0  0
 22 29  1  0  0  0  0
 22 30  1  0  0  0  0
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  5 32  1  1  0  0  0
  9 33  1  1  0  0  0
 10 34  1  6  0  0  0
 11 35  1  6  0  0  0
 17 36  1  6  0  0  0
 12 37  1  1  0  0  0
M  END
>  <Mol_ID> (783)
783

>  <Formula> (783)
C24H34F6O3

>  <MolWeight> (783)
484.5153792

>  <Cat> (783)
S7940

>  <Name> (783)
NSC12

>  <Synonyms> (783)
NSC 172285

>  <Target> (783)
FGFR

>  <Form> (783)
Free Base

>  <CAS> (783)
102586-30-1

>  <URL> (783)
http://www.selleckchem.com/products/nsc12.html

$$$$
THZ1.cdx
csChFnd80/09132309312D

 43 45  0  0  0  0  0  0  0  0999 V2000
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C31H30Cl3N7O2

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THZ1 2HCl

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N/A

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CDK

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dihydrochloride

>  <CAS> (784)
1604810-83-4(free base)

>  <URL> (784)
http://www.selleckchem.com/products/thz1.html

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GSK2269557

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Nemiralisib

>  <Target> (785)
PI3K

>  <Form> (785)
Free Base

>  <CAS> (785)
1254036-71-9

>  <URL> (785)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
S4740 Ferulic acid (sodium).cdx
csChFnd80/09132309312D

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>  <Mol_ID> (786)
786

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C10H9NaO4

>  <MolWeight> (786)
216.16583

>  <Cat> (786)
S4740

>  <Name> (786)
Sodium ferulate

>  <Synonyms> (786)
Ferulic acid sodium salt

>  <Target> (786)
Thrombin

>  <Form> (786)
Sodium salt

>  <CAS> (786)
24276-84-4

>  <URL> (786)
http://www.selleckchem.com/products/ferulic-acid-sodium.html

$$$$
S49076.cdx
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C22H22N4O4S

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S49076

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c-Met  & FGFR

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Free Base

>  <CAS> (787)
1265965-22-7

>  <URL> (787)
http://www.selleckchem.com/products/s49076.html

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M  END
>  <Mol_ID> (788)
788

>  <Formula> (788)
C20H19FN4O2S

>  <MolWeight> (788)
398.4538632

>  <Cat> (788)
S8261

>  <Name> (788)
GSK583

>  <Synonyms> (788)
N/A

>  <Target> (788)
NF-¦ÊB

>  <Form> (788)
Free Base

>  <CAS> (788)
1346547-00-9

>  <URL> (788)
http://www.selleckchem.com/products/gsk583.html

$$$$
ARQ 092.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (789)
789

>  <Formula> (789)
C27H25ClN6

>  <MolWeight> (789)
468.9806

>  <Cat> (789)
S8339

>  <Name> (789)
Miransertib (ARQ 092)HCl

>  <Synonyms> (789)
Miransertib

>  <Target> (789)
Akt

>  <Form> (789)
hydrochloride

>  <CAS> (789)
1313883-00-9

>  <URL> (789)
http://www.selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (790)
790

>  <Formula> (790)
C21H25N7O

>  <MolWeight> (790)
391.4695

>  <Cat> (790)
S8456

>  <Name> (790)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (790)
N/A

>  <Target> (790)
PI3K

>  <Form> (790)
Free Base

>  <CAS> (790)
1383716-46-8

>  <URL> (790)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
BP-1-102.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (791)
791

>  <Formula> (791)
C29H27F5N2O6S

>  <MolWeight> (791)
626.591496

>  <Cat> (791)
S7769

>  <Name> (791)
BP-1-102

>  <Synonyms> (791)
N/A

>  <Target> (791)
STAT

>  <Form> (791)
Free Base

>  <CAS> (791)
1334493-07-0

>  <URL> (791)
http://www.selleckchem.com/products/bp-1-102.html

$$$$
OTS514.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (792)
792

>  <Formula> (792)
C21H21ClN2O2S

>  <MolWeight> (792)
400.92164

>  <Cat> (792)
S7652

>  <Name> (792)
OTS514 hydrochloride

>  <Synonyms> (792)
N/A

>  <Target> (792)
TOPK

>  <Form> (792)
hydrochloride

>  <CAS> (792)
1338540-63-8(free base)

>  <URL> (792)
http://www.selleckchem.com/products/ots514.html

$$$$
SAR-020106.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (793)
793

>  <Formula> (793)
C19H19ClN6O

>  <MolWeight> (793)
382.84676

>  <Cat> (793)
S7740

>  <Name> (793)
SAR-020106

>  <Synonyms> (793)
N/A

>  <Target> (793)
Chk

>  <Form> (793)
Free Base

>  <CAS> (793)
1184843-57-9

>  <URL> (793)
http://www.selleckchem.com/products/sar-020106.html

$$$$
S8275-eFT-508.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (794)
794

>  <Formula> (794)
C17H20N6O2

>  <MolWeight> (794)
340.3797

>  <Cat> (794)
S8275

>  <Name> (794)
eFT-508 (eFT508)

>  <Synonyms> (794)
N/A

>  <Target> (794)
MNK

>  <Form> (794)
Free Base

>  <CAS> (794)
1849590-01-7

>  <URL> (794)
http://www.selleckchem.com/products/eft-508.html

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (795)
795

>  <Formula> (795)
C14H17Cl2N5O4S

>  <MolWeight> (795)
422.28688

>  <Cat> (795)
S8457

>  <Name> (795)
UK-371804 HCl

>  <Synonyms> (795)
UK-371804 HCl

>  <Target> (795)
Serine Protease

>  <Form> (795)
hydrochloride

>  <CAS> (795)
256476-36-5

>  <URL> (795)
http://www.selleckchem.com/products/uk-371804-hcl.html

$$$$
S7743-CCT196969.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (796)
796

>  <Formula> (796)
C27H24FN7O3

>  <MolWeight> (796)
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>  <Cat> (796)
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>  <Name> (796)
CCT196969

>  <Synonyms> (796)
N/A

>  <Target> (796)
Raf

>  <Form> (796)
Free Base

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EGFR

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Free Base

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1448232-80-1

>  <URL> (800)
http://www.selleckchem.com/products/naquotinib-asp8273.html

$$$$
LDC4297 (LDC044297).cdx
csChFnd80/09132309312D

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LDC4297 (LDC044297)

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N/A

>  <Target> (801)
CDK

>  <Form> (801)
Free Base

>  <CAS> (801)
1453834-21-3

>  <URL> (801)
http://www.selleckchem.com/products/ldc4297-ldc044297.html

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/09132309312D

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>  <Mol_ID> (802)
802

>  <Formula> (802)
C25H23ClN6O3

>  <MolWeight> (802)
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>  <Cat> (802)
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>  <Name> (802)
ONO-4059 (GS-4059) hydrochloride

>  <Synonyms> (802)
N/A

>  <Target> (802)
BTK

>  <Form> (802)
hydrochloride

>  <CAS> (802)
1439901-97-9

>  <URL> (802)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

$$$$
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csChFnd80/09132309312D

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Wnt/beta-catenin

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Free Base

>  <CAS> (803)
125314-13-8

>  <URL> (803)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
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csChFnd80/09132309312D

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M  END
>  <Mol_ID> (804)
804

>  <Formula> (804)
C15H18O2

>  <MolWeight> (804)
230.30222

>  <Cat> (804)
S8291

>  <Name> (804)
Atractylenolide I

>  <Synonyms> (804)
N/A

>  <Target> (804)
Immunology & Inflammation related

>  <Form> (804)
Free Base

>  <CAS> (804)
73069-13-3
73069-13-3

>  <URL> (804)
http://www.selleckchem.com/products/atractylenolide-i.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/09132309312D

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A   23
xH2O
M  END
>  <Mol_ID> (805)
805

>  <Formula> (805)
C14H18ClN3O3RS

>  <MolWeight> (805)
343.82902

>  <Cat> (805)
S8208

>  <Name> (805)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (805)
N/A

>  <Target> (805)
ROCK

>  <Form> (805)
hydrochloride

>  <CAS> (805)
155558-32-0 (HCl salt)

>  <URL> (805)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (806)
806

>  <Formula> (806)
C21H18F3N5O

>  <MolWeight> (806)
413.3957296

>  <Cat> (806)
S2931

>  <Name> (806)
Aurora Kinase Inhibitor III

>  <Synonyms> (806)
N/A

>  <Target> (806)
Aurora Kinase

>  <Form> (806)
Free Base

>  <CAS> (806)
879127-16-9

>  <URL> (806)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$
SUN11602.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (807)
807

>  <Formula> (807)
C26H37N5O2

>  <MolWeight> (807)
451.60428

>  <Cat> (807)
S8192

>  <Name> (807)
SUN11602

>  <Synonyms> (807)
N/A

>  <Target> (807)
FGFR

>  <Form> (807)
Free Base

>  <CAS> (807)
704869-38-5

>  <URL> (807)
http://www.selleckchem.com/products/sun11602.html

$$$$
TGR-1202.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (808)
808

>  <Formula> (808)
C31H24F3N5O3

>  <MolWeight> (808)
571.5491696

>  <Cat> (808)
S8194

>  <Name> (808)
TGR-1202

>  <Synonyms> (808)
Rp-5264

>  <Target> (808)
PI3K

>  <Form> (808)
Free Base

>  <CAS> (808)
1532533-67-7

>  <URL> (808)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (809)
809

>  <Formula> (809)
C26H31ClN6O2

>  <MolWeight> (809)
495.01634

>  <Cat> (809)
S7824

>  <Name> (809)
Nazartinib (EGF816, NVS-816)

>  <Synonyms> (809)
N/A

>  <Target> (809)
EGFR

>  <Form> (809)
Free Base

>  <CAS> (809)
1508250-71-2

>  <URL> (809)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
OTS964.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (810)
810

>  <Formula> (810)
C23H26Cl2N2O2S

>  <MolWeight> (810)
465.43574

>  <Cat> (810)
S7648

>  <Name> (810)
OTS964

>  <Synonyms> (810)
N/A

>  <Target> (810)
Others

>  <Form> (810)
dihydrochloride

>  <CAS> (810)
1338545-07-5(HCl salt)

>  <URL> (810)
http://www.selleckchem.com/products/ots964.html

$$$$
CC-930.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (811)
811

>  <Formula> (811)
C21H24ClF3N6O2

>  <MolWeight> (811)
484.9024696

>  <Cat> (811)
S8490

>  <Name> (811)
Tanzisertib(CC-930)

>  <Synonyms> (811)
JNK-930|JNKI-1

>  <Target> (811)
JNK

>  <Form> (811)
hydrochloride

>  <CAS> (811)
899805-25-5 (free base)

>  <URL> (811)
http://www.selleckchem.com/products/cc-930.html

$$$$
PD-166866.cdx
csChFnd80/09132309312D

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http://www.selleckchem.com/products/pd-166866.html

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hydrochloride salt

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1194961-19-7 (free base)

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PLK

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1338806-73-7

>  <URL> (817)
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DNA-PK

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1943733-16-1

>  <URL> (818)
http://www.selleckchem.com/products/yu238259.html

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1629268-00-3

>  <URL> (819)
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1879887-96-3

>  <URL> (821)
http://www.selleckchem.com/products/lturm34.html

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free base

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1384071-99-1

>  <URL> (822)
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (824)
824

>  <Formula> (824)
C19H22N6O3

>  <MolWeight> (824)
382.41638

>  <Cat> (824)
S8157

>  <Name> (824)
GDC-0326

>  <Synonyms> (824)
N/A

>  <Target> (824)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (824)
free base

>  <CAS> (824)
1282514-88-8

>  <URL> (824)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

$$$$
Senexin A.cdx
csChFnd80/09132309312D

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  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (825)
825

>  <Formula> (825)
C17H14N4

>  <MolWeight> (825)
274.31986

>  <Cat> (825)
S8520

>  <Name> (825)
Senexin A

>  <Synonyms> (825)
N/A

>  <Target> (825)
CDK19,CDK8

>  <Form> (825)
free base

>  <CAS> (825)
1366002-50-7

>  <URL> (825)
http://www.selleckchem.com/products/senexin-a.html

$$$$
MSC2530818.cdx
csChFnd80/09132309312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    3.3668    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 13  1  0  0  0  0
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M  END
>  <Mol_ID> (826)
826

>  <Formula> (826)
C18H17ClN4O

>  <MolWeight> (826)
340.80678

>  <Cat> (826)
S8387

>  <Name> (826)
MSC2530818

>  <Synonyms> (826)
N/A

>  <Target> (826)
CDK8

>  <Form> (826)
free base

>  <CAS> (826)
1883423-59-3

>  <URL> (826)
http://www.selleckchem.com/products/msc2530818.html

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/09132309312D

 45 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (827)
827

>  <Formula> (827)
C33H29F2N5O4S

>  <MolWeight> (827)
629.6762664

>  <Cat> (827)
S8573

>  <Name> (827)
Sitravatinib (MGCD516)

>  <Synonyms> (827)
MG-516

>  <Target> (827)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (827)
free base

>  <CAS> (827)
1123837-84-2

>  <URL> (827)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

$$$$
3BDO.cdx
csChFnd80/09132309312D

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3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (828)
FKBP1A

>  <Form> (828)
free base

>  <CAS> (828)
890405-51-3

>  <URL> (828)
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TPX-0005

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>  <Target> (829)
 ALK,ALK(L1196M),ALK(G1202R),Src 

>  <Form> (829)
free base

>  <CAS> (829)
no

>  <URL> (829)
http://www.selleckchem.com/products/tpx-0005.html

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>  <Mol_ID> (830)
830

>  <Formula> (830)
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>  <MolWeight> (830)
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>  <Cat> (830)
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>  <Name> (830)
GSK2982772

>  <Synonyms> (830)
N/A

>  <Target> (830)
human RIP1

>  <Form> (830)
free base

>  <CAS> (830)
1622848-92-3

>  <URL> (830)
http://www.selleckchem.com/products/gsk2982772.html

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>  <Target> (831)
Nanog

>  <Form> (831)
free base

>  <CAS> (831)
1129403-56-0

>  <URL> (831)
http://www.selleckchem.com/products/amcasertib-bbi503.html

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1952251-28-3

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1402438-74-7

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>  <CAS> (836)
1346546-69-7

>  <URL> (836)
http://www.selleckchem.com/products/GSK872-GSK2399872A.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (837)
837

>  <Formula> (837)
C19H17N5O3

>  <MolWeight> (837)
363.36998

>  <Cat> (837)
S8581

>  <Name> (837)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Synonyms> (837)
N/A

>  <Target> (837)
PI3K¦Á 

>  <Form> (837)
Free base

>  <CAS> (837)
1268454-23-4

>  <URL> (837)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/09132309312D

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (838)
838

>  <Formula> (838)
C2HCl2NaO2

>  <MolWeight> (838)
150.92391

>  <Cat> (838)
S8615

>  <Name> (838)
Sodium dichloroacetate (DCA)

>  <Synonyms> (838)
bichloroacetic acid, BCA

>  <Target> (838)
PDK

>  <Form> (838)
sodium salt

>  <CAS> (838)
2156-56-1

>  <URL> (838)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/09132309312D

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 31  9  1  1  0  0  0
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M  END
>  <Mol_ID> (839)
839

>  <Formula> (839)
C33H44FN5O3

>  <MolWeight> (839)
577.7325632

>  <Cat> (839)
S8511

>  <Name> (839)
Belizatinib (TSR-011)

>  <Synonyms> (839)
N/A

>  <Target> (839)
ALK,TRK

>  <Form> (839)
free base

>  <CAS> (839)
1357920-84-3

>  <URL> (839)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

$$$$
Autophinib.cdx
csChFnd80/09132309312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (840)
840

>  <Formula> (840)
C14H11ClN6O3

>  <MolWeight> (840)
346.72854

>  <Cat> (840)
S8596

>  <Name> (840)
Autophinib

>  <Synonyms> (840)
N/A

>  <Target> (840)
autophagy

>  <Form> (840)
free base

>  <CAS> (840)
1644443-47-9

>  <URL> (840)
http://www.selleckchem.com/products/autophinib.html

$$$$
PRN1371.cdx
csChFnd80/09132309312D

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1802929-43-6

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http://www.selleckchem.com/products/prn1371.html

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1191911-26-8

>  <URL> (842)
http://www.selleck.cn/products/czc-25146.html

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1254053-43-4

>  <URL> (843)
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>  <Mol_ID> (845)
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>  <Formula> (845)
C15H17ClN2OS

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>  <Name> (845)
Azoramide

>  <Synonyms> (845)
N/A

>  <Target> (845)
UPR

>  <Form> (845)
free base

>  <CAS> (845)
932986-18-0

>  <URL> (845)
http://www.selleckchem.com/products/azoramide.html

$$$$
R-IMPP.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (846)
846

>  <Formula> (846)
C24H27N3O2

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>  <Cat> (846)
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>  <Name> (846)
R-IMPP

>  <Synonyms> (846)
N/A

>  <Target> (846)
PCSK9 

>  <Form> (846)
free base

>  <CAS> (846)
no cas

>  <URL> (846)
http://www.selleckchem.com/products/r-impp.html

$$$$
Chk2 Inhibitor II (BML-277).cdx
csChFnd80/09132309312D

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>  <Mol_ID> (847)
847

>  <Formula> (847)
C20H14ClN3O2

>  <MolWeight> (847)
363.79706

>  <Cat> (847)
S8632

>  <Name> (847)
Chk2 Inhibitor II (BML-277)

>  <Synonyms> (847)
N/A

>  <Target> (847)
Chk2

>  <Form> (847)
free base

>  <CAS> (847)
516480-79-8

>  <URL> (847)
http://www.selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
LY3214996.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (848)
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>  <Formula> (848)
C22H27N7O2S

>  <MolWeight> (848)
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>  <Cat> (848)
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>  <Name> (848)
LY3214996

>  <Synonyms> (848)
N/A

>  <Target> (848)
ERK1,ERK2

>  <Form> (848)
free base

>  <CAS> (848)
1951483-29-6

>  <URL> (848)
http://www.selleckchem.com/products/ly3214996.html

$$$$
PF-06409577.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (849)
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>  <Formula> (849)
C19H16ClNO3

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>  <Cat> (849)
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>  <Name> (849)
PF-06409577

>  <Synonyms> (849)
N/A

>  <Target> (849)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (849)
free base

>  <CAS> (849)
1467057-23-3

>  <URL> (849)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
CCG-203971.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (850)
850

>  <Formula> (850)
C23H21ClN2O3

>  <MolWeight> (850)
408.87744

>  <Cat> (850)
S8469

>  <Name> (850)
CCG-203971

>  <Synonyms> (850)
N/A

>  <Target> (850)
SRE.L

>  <Form> (850)
free base

>  <CAS> (850)
1443437-74-8

>  <URL> (850)
http://www.selleckchem.com/products/ccg-203971.html

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (851)
851

>  <Formula> (851)
C18H19NO2S2

>  <MolWeight> (851)
345.47896

>  <Cat> (851)
S8616

>  <Name> (851)
PKM2 inhibitor(compound 3k)

>  <Synonyms> (851)
N/A

>  <Target> (851)
PKM2

>  <Form> (851)
free base

>  <CAS> (851)
94164-88-2

>  <URL> (851)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

$$$$
MKC-3946.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (852)
852

>  <Formula> (852)
C21H20N2O3S

>  <MolWeight> (852)
380.4601

>  <Cat> (852)
S8286

>  <Name> (852)
MKC-3946

>  <Synonyms> (852)
N/A

>  <Target> (852)
IRE1¦Á endoribonuclease

>  <Form> (852)
free base

>  <CAS> (852)
1093119-54-0

>  <URL> (852)
http://www.selleckchem.com/products/mkc-3946.html

$$$$
LYN-1604.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (853)
853

>  <Formula> (853)
C33H45Cl4N3O2

>  <MolWeight> (853)
657.5413

>  <Cat> (853)
S8597

>  <Name> (853)
LYN-1604

>  <Synonyms> (853)
N/A

>  <Target> (853)
ULK1

>  <Form> (853)
dihydrochloride

>  <CAS> (853)
2088939-99-3(free base)

>  <URL> (853)
http://www.selleckchem.com/products/lyn-1604.html

$$$$
FM-381.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (854)
854

>  <Formula> (854)
C24H24N6O2

>  <MolWeight> (854)
428.48636

>  <Cat> (854)
S8541

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FM-381

>  <Synonyms> (854)
N/A

>  <Target> (854)
JAK3

>  <Form> (854)
free base

>  <CAS> (854)
No

>  <URL> (854)
http://www.selleckchem.com/products/fm-381.html

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CA-4948.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (855)
855

>  <Formula> (855)
C21H19N7O3

>  <MolWeight> (855)
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>  <Cat> (855)
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CA-4948

>  <Synonyms> (855)
N/A

>  <Target> (855)
IRAK4

>  <Form> (855)
free base

>  <CAS> (855)
1801343-74-7

>  <URL> (855)
http://www.selleckchem.com/products/ca-4948.html

$$$$
S3614 Lupeol.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (856)
856

>  <Formula> (856)
C30H50O

>  <MolWeight> (856)
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>  <Cat> (856)
S3614

>  <Name> (856)
Lupeol

>  <Synonyms> (856)
(3¦Â,13¦Î)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol

>  <Target> (856)
Others

>  <Form> (856)
free base

>  <CAS> (856)
545-47-1

>  <URL> (856)
http://www.selleckchem.com/products/lupeol.html

$$$$
C188-9.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (857)
857

>  <Formula> (857)
C27H21NO5S

>  <MolWeight> (857)
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>  <Cat> (857)
S8605

>  <Name> (857)
C188-9

>  <Synonyms> (857)
N/A

>  <Target> (857)
STAT3

>  <Form> (857)
free base

>  <CAS> (857)
432001-19-9

>  <URL> (857)
http://www.selleckchem.com/products/c188-9.html

$$$$
3PO.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (858)
858

>  <Formula> (858)
C13H10N2O

>  <MolWeight> (858)
210.2313

>  <Cat> (858)
S7639

>  <Name> (858)
3PO

>  <Synonyms> (858)
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one

>  <Target> (858)
PFKFB3

>  <Form> (858)
free base

>  <CAS> (858)
18550-98-6

>  <URL> (858)
http://www.selleckchem.com/products/3po.html

$$$$
H3B-6527.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (859)
859

>  <Formula> (859)
C29H34Cl2N8O4

>  <MolWeight> (859)
629.53746

>  <Cat> (859)
S8675

>  <Name> (859)
H3B-6527

>  <Synonyms> (859)
N/A

>  <Target> (859)
FGFR4

>  <Form> (859)
free base

>  <CAS> (859)
1702259-66-2

>  <URL> (859)
http://www.selleckchem.com/products/h3b-6527.html

$$$$
S5144 Neferine.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (860)
860

>  <Formula> (860)
C38H44N2O6

>  <MolWeight> (860)
624.76576

>  <Cat> (860)
S5144

>  <Name> (860)
Neferine

>  <Synonyms> (860)
(R)-1,2-Dimethoxyaporphine

>  <Target> (860)
Others

>  <Form> (860)
free base

>  <CAS> (860)
2292-16-2

>  <URL> (860)
http://www.selleckchem.com/products/neferine.html

$$$$
Takinib.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (861)
861

>  <Formula> (861)
C18H18N4O2

>  <MolWeight> (861)
322.36112

>  <Cat> (861)
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Takinib

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EDHS-206

>  <Target> (861)
TAK1,IRAK4,IRAK1

>  <Form> (861)
free base

>  <CAS> (861)
1111556-37-6

>  <URL> (861)
http://www.selleckchem.com/products/takinib.html

$$$$
S4770 Creatine phosphate disodium salt.cdx
csChFnd80/09132309312D

 15 12  0  0  0  0  0  0  0  0999 V2000
    7.1740    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8113    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1740    0.0000    0.0000 C   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
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 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (862)
862

>  <Formula> (862)
C4H8N3Na2O5P

>  <MolWeight> (862)
255.076721

>  <Cat> (862)
S4770

>  <Name> (862)
Creatine phosphate disodium salt

>  <Synonyms> (862)
Phosphocreatine disodium salt

>  <Target> (862)
Others

>  <Form> (862)
disodium salt

>  <CAS> (862)
922-32-7

>  <URL> (862)
http://www.selleckchem.com/products/creatine-phosphate-disodium-salt.html

$$$$
IPI-3063.cdx
csChFnd80/09132309312D

 34 37  0  0  0  0  0  0  0  0999 V2000
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    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  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
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 13 14  1  0  0  0  0
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 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
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 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
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 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> (863)
863

>  <Formula> (863)
C25H25N7O2

>  <MolWeight> (863)
455.5117

>  <Cat> (863)
S7335

>  <Name> (863)
IPI-3063

>  <Synonyms> (863)
N/A

>  <Target> (863)
p110¦Ä

>  <Form> (863)
free base

>  <CAS> (863)
1425043-73-7

>  <URL> (863)
http://www.selleckchem.com/products/ipi-3063.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/09132309312D

 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
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    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> (864)
864

>  <Formula> (864)
C6H6Na3O9P

>  <MolWeight> (864)
322.049511

>  <Cat> (864)
S5115

>  <Name> (864)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (864)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (864)
Others

>  <Form> (864)
sodium salt

>  <CAS> (864)
66170-10-3

>  <URL> (864)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
PF-06651600.cdx
csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 N   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
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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
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    4.8497    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (865)
865

>  <Formula> (865)
C15H19N5O

>  <MolWeight> (865)
285.34426

>  <Cat> (865)
S8538

>  <Name> (865)
PF-06651600

>  <Synonyms> (865)
N/A

>  <Target> (865)
JAK3 

>  <Form> (865)
free base

>  <CAS> (865)
1792180-81-4

>  <URL> (865)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
2-D08.cdx
csChFnd80/09132309312D

 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
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    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
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  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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M  END
>  <Mol_ID> (866)
866

>  <Formula> (866)
C15H10O5

>  <MolWeight> (866)
270.2369

>  <Cat> (866)
S8696

>  <Name> (866)
2-D08
2-D08

>  <Synonyms> (866)
2',3',4'-trihydroxy flavone

>  <Target> (866)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (866)
free base

>  <CAS> (866)
144707-18-6

>  <URL> (866)
http://selleckchem.com/products/2-d08.html

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/09132309312D

 40 45  0  0  0  0  0  0  0  0999 V2000
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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
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    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
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M  END
>  <Mol_ID> (867)
867

>  <Formula> (867)
C26H23F4N9O

>  <MolWeight> (867)
553.5141328

>  <Cat> (867)
S7812

>  <Name> (867)
Itacitinib (INCB39110)

>  <Synonyms> (867)
N/A

>  <Target> (867)
JAK

>  <Form> (867)
free base

>  <CAS> (867)
1334298-90-6

>  <URL> (867)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.html

$$$$
S5045 Nomilin.cdx
csChFnd80/09132309312D

 39 44  0  0  0  0  0  0  0  0999 V2000
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    9.3566    6.4072    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (868)
868

>  <Formula> (868)
C28H34O9

>  <MolWeight> (868)
514.56416

>  <Cat> (868)
S5045

>  <Name> (868)
Nomilin

>  <Synonyms> (868)
N/A

>  <Target> (868)
Others

>  <Form> (868)
free base

>  <CAS> (868)
1063-77-0

>  <URL> (868)
http://selleckchem.com/products/nomilin.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/09132309312D

 34 35  0  0  0  0  0  0  0  0999 V2000
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   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
   15.7617    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (869)
869

>  <Formula> (869)
C21H17ClF4N4O4

>  <MolWeight> (869)
500.8306928

>  <Cat> (869)
S5077

>  <Name> (869)
Regorafenib Monohydrate

>  <Synonyms> (869)
N/A

>  <Target> (869)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (869)
monohydrate

>  <CAS> (869)
1019206-88-2

>  <URL> (869)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
S5084 Carbazochrome.cdx
csChFnd80/09132309312D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (870)
870

>  <Formula> (870)
C10H12N4O3

>  <MolWeight> (870)
236.22728

>  <Cat> (870)
S5084

>  <Name> (870)
Carbazochrome

>  <Synonyms> (870)
Adedolon, Adchnon, Adrenostazin, Cromadrenal, Adona, AC-17

>  <Target> (870)
Others

>  <Form> (870)
free base

>  <CAS> (870)
69-81-8

>  <URL> (870)
http://selleckchem.com/products/carbazochrome.html

$$$$
S5093 Rafoxanide.cdx
csChFnd80/09132309312D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (871)
871

>  <Formula> (871)
C19H11Cl2I2NO3

>  <MolWeight> (871)
626.01048

>  <Cat> (871)
S5093

>  <Name> (871)
Rafoxanide

>  <Synonyms> (871)
Disalan, Ranide, Flukanide, Bovanide

>  <Target> (871)
Anti-infection

>  <Form> (871)
free base

>  <CAS> (871)
22662-39-1

>  <URL> (871)
http://selleckchem.com/products/rafoxanide.html

$$$$
BGB-3111.cdx
csChFnd80/09132309312D

 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
   11.1689    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9565    4.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5316    4.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3813    1.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5938    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0187    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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 18  7  2  0  0  0  0
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 23 17  1  1  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (872)
872

>  <Formula> (872)
C24H25N5O3

>  <MolWeight> (872)
431.487

>  <Cat> (872)
S8542

>  <Name> (872)
Btk inhibitor 2

>  <Synonyms> (872)
N/A

>  <Target> (872)
BTK

>  <Form> (872)
free base

>  <CAS> (872)
1558036-85-3

>  <URL> (872)
http://selleckchem.com/products/btk-inhibitor-2.html

$$$$
kira6.cdx
csChFnd80/09132309312D

 38 42  0  0  0  0  0  0  0  0999 V2000
    8.4870    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (873)
873

>  <Formula> (873)
C28H25F3N6O

>  <MolWeight> (873)
518.5329096

>  <Cat> (873)
S8658

>  <Name> (873)
kira6

>  <Synonyms> (873)
N/A

>  <Target> (873)
Others

>  <CAS> (873)
1589527-65-0

>  <URL> (873)
http://selleckchem.com/products/kira6.html

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/09132309312D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.9401    3.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (874)
874

>  <Formula> (874)
C18H13BrN2O4S2

>  <MolWeight> (874)
465.34082

>  <Cat> (874)
S8652

>  <Name> (874)
Skp2 inhibitor C1 (SKPin C1)

>  <Synonyms> (874)
N/A

>  <Target> (874)
CDK

>  <CAS> (874)
432001-69-9

>  <URL> (874)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

$$$$
SNS-314.cdx
csChFnd80/09132309312D

 28 31  0  0  0  0  0  0  0  0999 V2000
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875

>  <Formula> (875)
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>  <Cat> (875)
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SNS-314 Mesylate

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N/A

>  <Target> (875)
Aurora Kinase

>  <CAS> (875)
1057249-41-8

>  <URL> (875)
http://selleckchem.com/products/sns-314.html

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>  <Formula> (876)
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>  <Name> (876)
BMS-935177

>  <Synonyms> (876)
N/A

>  <Target> (876)
BTK,Trk receptor,c-RET

>  <Form> (876)
free base

>  <CAS> (876)
1231889-53-4

>  <URL> (876)
http://selleckchem.com/products/bms-935177.html

$$$$
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>  <Mol_ID> (877)
877

>  <Formula> (877)
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>  <MolWeight> (877)
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>  <Cat> (877)
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>  <Name> (877)
KPT-9274

>  <Synonyms> (877)
N/A

>  <Target> (877)
NAMPT,PAK

>  <Form> (877)
free base

>  <CAS> (877)
1643913-93-2

>  <URL> (877)
http://selleckchem.com/products/kpt-9274.html

$$$$
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M  END
>  <Mol_ID> (878)
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>  <Formula> (878)
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>  <Cat> (878)
S8555

>  <Name> (878)
Asciminib (ABL001)

>  <Synonyms> (878)
N/A

>  <Target> (878)
Bcr-Abl

>  <Form> (878)
free base

>  <CAS> (878)
1492952-76-7

>  <URL> (878)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/09132309312D

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879

>  <Formula> (879)
C23H18FN5O2

>  <MolWeight> (879)
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>  <Cat> (879)
S8672

>  <Name> (879)
Tenalisib (RP6530)

>  <Synonyms> (879)
N/A

>  <Target> (879)
PI3K

>  <Form> (879)
free base

>  <CAS> (879)
1639417-53-0

>  <URL> (879)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
AS1517499.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (880)
880

>  <Formula> (880)
C20H20ClN5O2

>  <MolWeight> (880)
397.8581

>  <Cat> (880)
S8685

>  <Name> (880)
AS1517499

>  <Synonyms> (880)
N/A

>  <Target> (880)
STAT

>  <Form> (880)
free base

>  <CAS> (880)
919486-40-1

>  <URL> (880)
http://selleckchem.com/products/as1517499.html

$$$$
RAF709.cdx
csChFnd80/09132309312D

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>  <Formula> (881)
C28H29F3N4O4

>  <MolWeight> (881)
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>  <Cat> (881)
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>  <Name> (881)
RAF709

>  <Synonyms> (881)
N/A

>  <Target> (881)
Raf

>  <Form> (881)
free base

>  <CAS> (881)
1628838-42-5

>  <URL> (881)
http://selleckchem.com/products/raf709.html

$$$$
S5232 Alectinib hydrochloride.cdx
csChFnd80/09132309312D

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    4.8495    3.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8698    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  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
  2  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 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> (882)
882

>  <Formula> (882)
C30H35ClN4O2

>  <MolWeight> (882)
519.0775

>  <Cat> (882)
S5232

>  <Name> (882)
Alectinib hydrochloride

>  <Synonyms> (882)
AF802 hydrochloride

>  <Target> (882)
ALK

>  <Form> (882)
hydrochloride 

>  <CAS> (882)
1256589-74-8

>  <URL> (882)
http://selleckchem.com/products/alectinib-hydrochloride.html

$$$$
S5060 Metadoxine.cdx
csChFnd80/09132309312D

 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> (883)
883

>  <Formula> (883)
C13H18N2O6

>  <MolWeight> (883)
298.29182

>  <Cat> (883)
S5060

>  <Name> (883)
 Metadoxine

>  <Synonyms> (883)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (883)
Others

>  <Form> (883)
salt

>  <CAS> (883)
74536-44-0

>  <URL> (883)
http://selleckchem.com/products/metadoxine.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/09132309312D

 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> (884)
884

>  <Formula> (884)
C10H16N5O8P

>  <MolWeight> (884)
365.236501

>  <Cat> (884)
S5284

>  <Name> (884)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (884)
5'-Adenylic acid, 5'-AMP

>  <Target> (884)
AMPK

>  <Form> (884)
hydrate 

>  <CAS> (884)
18422-05-4

>  <URL> (884)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5321 Y15.cdx
csChFnd80/09132309312D

 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> (885)
885

>  <Formula> (885)
C6H14Cl4N4

>  <MolWeight> (885)
284.01416

>  <Cat> (885)
S5321

>  <Name> (885)
Y15

>  <Synonyms> (885)
1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (885)
FAK

>  <Form> (885)
tetrahydrochloride 

>  <CAS> (885)
4506-66-5

>  <URL> (885)
http://selleckchem.com/products/y15.html

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/09132309312D

 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> (886)
886

>  <Formula> (886)
C17H21N6O4P

>  <MolWeight> (886)
404.360201

>  <Cat> (886)
S5243

>  <Name> (886)
Ruxolitinib Phosphate

>  <Synonyms> (886)
INCB018424, INC424

>  <Target> (886)
JAK

>  <Form> (886)
phosphate 

>  <CAS> (886)
1092939-17-7

>  <URL> (886)
http://selleckchem.com/products/ruxolitinib-phosphate.html

$$$$
S5313 SC66.cdx
csChFnd80/09132309312D

 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> (887)
887

>  <Formula> (887)
C18H16N2O

>  <MolWeight> (887)
276.33244

>  <Cat> (887)
S5313

>  <Name> (887)
SC66

>  <Synonyms> (887)
N/A

>  <Target> (887)
Akt

>  <Form> (887)
free base

>  <CAS> (887)
871361-88-5

>  <URL> (887)
http://selleckchem.com/products/sc66.html

$$$$
S5316 NU2058.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (888)
888

>  <Formula> (888)
C12H17N5O

>  <MolWeight> (888)
247.29628

>  <Cat> (888)
S5316

>  <Name> (888)
NU2058

>  <Synonyms> (888)
O(6)-Cyclohexylmethylguanine

>  <Target> (888)
CDK

>  <Form> (888)
free base

>  <CAS> (888)
161058-83-9

>  <URL> (888)
http://selleckchem.com/products/nu2058.html

$$$$
AZD1390.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (889)
889

>  <Formula> (889)
C27H32FN5O2

>  <MolWeight> (889)
477.5736832

>  <Cat> (889)
S8680

>  <Name> (889)
AZD1390

>  <Synonyms> (889)
N/A

>  <Target> (889)
ATM/ATR

>  <Form> (889)
free base

>  <CAS> (889)
2089288-03-7

>  <URL> (889)
http://selleckchem.com/products/azd1390.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (890)
890

>  <Formula> (890)
C22H25Cl2FN4O3

>  <MolWeight> (890)
483.3633032

>  <Cat> (890)
S5098

>  <Name> (890)
Gefitinib hydrochloride

>  <Synonyms> (890)
ZD1839 hydrochloride

>  <Target> (890)
EGFR

>  <Form> (890)
hydrochloride 

>  <CAS> (890)
184475-55-6

>  <URL> (890)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (891)
891

>  <Formula> (891)
C23H26ClN

>  <MolWeight> (891)
351.91224

>  <Cat> (891)
S5279

>  <Name> (891)
Fendiline hydrochloride

>  <Synonyms> (891)
N/A

>  <Target> (891)
Calcium Channel,Ras

>  <Form> (891)
hydrochloride 

>  <CAS> (891)
13636-18-5

>  <URL> (891)
http://selleckchem.com/products/fendiline-hydrochloride.html

$$$$
GSK'963.cdx
csChFnd80/09132309312D

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>  <Formula> (892)
C14H18N2O

>  <MolWeight> (892)
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>  <Cat> (892)
S8642

>  <Name> (892)
GSK'963

>  <Synonyms> (892)
N/A

>  <Target> (892)
NF-¦ÊB,TNF-alpha

>  <Form> (892)
free base

>  <CAS> (892)
2049868-46-2

>  <URL> (892)
http://selleckchem.com/products/gsk963.html

$$$$
bpV (HOpic).cdx
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>  <Mol_ID> (893)
893

>  <Formula> (893)
C6H4K2NO8V

>  <MolWeight> (893)
347.23596

>  <Cat> (893)
S8651

>  <Name> (893)
bpV (HOpic)

>  <Synonyms> (893)
Bisperoxovanadium(HOpic)

>  <Target> (893)
PTEN

>  <Form> (893)
potassium 

>  <CAS> (893)
722494-26-0

>  <URL> (893)
http://selleckchem.com/products/bpv-hopic.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/09132309312D

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>  <Mol_ID> (894)
894

>  <Formula> (894)
C23H24Cl2FN3O3

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>  <Cat> (894)
S8726

>  <Name> (894)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (894)
N/A

>  <Target> (894)
VEGFR

>  <Form> (894)
dihydrochloride 

>  <CAS> (894)
1360460-82-7

>  <URL> (894)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
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csChFnd80/09132309312D

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>  <Mol_ID> (895)
895

>  <Formula> (895)
C26H21F2N5O3

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>  <Cat> (895)
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>  <Name> (895)
DCC-2618

>  <Synonyms> (895)
N/A

>  <Target> (895)
c-Kit

>  <CAS> (895)
 1225278-16-9

>  <URL> (895)
http://selleckchem.com/products/dcc-2618.html

$$$$
FGF401.cdx
csChFnd80/09132309312D

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>  <Target> (896)
FGFR

>  <Form> (896)
free base

>  <CAS> (896)
1708971-55-4

>  <URL> (896)
http://selleckchem.com/products/fgf401.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/09132309312D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    1.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    6.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 10 19  1  6  0  0  0
 12 20  1  1  0  0  0
  9 21  1  1  0  0  0
 11 22  1  6  0  0  0
  5 23  1  1  0  0  0
 17 24  2  0  0  0  0
 24 25  1  4  0  0  0
 16 26  2  0  0  0  0
M  END
>  <Mol_ID> (897)
897

>  <Formula> (897)
C21H28O2

>  <MolWeight> (897)
312.44582

>  <Cat> (897)
S3792

>  <Name> (897)
Guggulsterone E&Z

>  <Synonyms> (897)
N/A

>  <Target> (897)
FXR

>  <Form> (897)
free base

>  <CAS> (897)
95975-55-6

>  <URL> (897)
http://selleckchem.com/products/guggulsterone.html

$$$$
S4955 Acetosyringone.cdx
csChFnd80/09132309312D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4434    2.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2279    2.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6527    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4496    0.6946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2217    4.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0186    2.0839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6466    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062    4.8839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    4.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    4.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3053    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
  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
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (898)
898

>  <Formula> (898)
C10H12O4

>  <MolWeight> (898)
196.19988

>  <Cat> (898)
S4955

>  <Name> (898)
Acetosyringone

>  <Synonyms> (898)
Acetosyringenin

>  <Target> (898)
Others

>  <Form> (898)
free base

>  <CAS> (898)
2478-38-8

>  <URL> (898)
http://selleckchem.com/products/acetosyringone.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/09132309312D

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.9777    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.1777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.3777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    5.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    2.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.6777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.0777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784    4.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    5.1486    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    6.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    6.0700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7847    7.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    7.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1470    8.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7947    8.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5202    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8517    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8921    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6010    2.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2236    0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7938    3.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    3.4356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    4.8356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5938    3.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    2.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  8  1  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 21 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 33 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (899)
899

>  <Formula> (899)
C24H24F3N5O5S3

>  <MolWeight> (899)
615.6680696

>  <Cat> (899)
S5069

>  <Name> (899)
Dabrafenib Mesylate

>  <Synonyms> (899)
GSK2118436 Mesylate

>  <Target> (899)
Raf

>  <Form> (899)
mesylate

>  <CAS> (899)
1195768-06-9

>  <URL> (899)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/09132309312D

 46 49  0  0  0  0  0  0  0  0999 V2000
    7.3937    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.9326    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 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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 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
    2.4249    1.4000    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
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8363    6.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4840    5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4941    6.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564    8.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    8.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1987    7.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    5.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    6.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6915    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1242    9.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4936    9.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    8.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6579   12.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2855   10.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6378   10.5446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6278    9.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9801    9.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6947   11.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9362   11.8710    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
   16.4689    4.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6813    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2565    4.0011    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.9565    2.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
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 14 15  1  0  0  0  0
 22 23  1  0  0  0  0
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 25 26  2  0  0  0  0
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 22 27  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  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
 32 37  1  0  0  0  0
 35 38  1  0  0  0  0
 31 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 39  1  0  0  0  0
 25 28  1  0  0  0  0
 21 22  1  0  0  0  0
 14 21  1  0  0  0  0
  3 14  2  0  0  0  0
 12 40  1  0  0  0  0
 41 42  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  2  0  0  0  0
 43 46  1  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <Mol_ID> (900)
900

>  <Formula> (900)
C33H39N5O7S

>  <MolWeight> (900)
649.75706

>  <Cat> (900)
S5234

>  <Name> (900)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (900)
Intedanib, BIBF 1120

>  <Target> (900)
VEGFR,FGFR,PDGFR

>  <Form> (900)
ethanesulfonate 

>  <CAS> (900)
656247-18-6

>  <URL> (900)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/09132309312D

 41 44  0  0  0  0  0  0  0  0999 V2000
   10.8290    3.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    3.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    7.8882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6787    7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8912    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1036    7.8882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2500    9.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6194    9.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3194    8.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3826    7.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    9.2882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    9.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    5.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    3.2556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    5.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (901)
901

>  <Formula> (901)
C29H31FN4O7

>  <MolWeight> (901)
566.5774432

>  <Cat> (901)
S5242

>  <Name> (901)
Cediranib Maleate

>  <Synonyms> (901)
AZD-2171 maleate

>  <Target> (901)
VEGFR

>  <Form> (901)
maleate

>  <CAS> (901)
 857036-77-2

>  <URL> (901)
http://selleckchem.com/products/cediranib-maleate.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/09132309312D

 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> (902)
902

>  <Formula> (902)
C22H42O2

>  <MolWeight> (902)
338.56768

>  <Cat> (902)
S5383

>  <Name> (902)
Erucic acid

>  <Synonyms> (902)
cis-13-docosenoic acid

>  <Target> (902)
Others

>  <Form> (902)
free base

>  <CAS> (902)
112-86-7

>  <URL> (902)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/09132309312D

  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> (903)
903

>  <Formula> (903)
C3H3BrO3

>  <MolWeight> (903)
166.95812

>  <Cat> (903)
S5426

>  <Name> (903)
Bromopyruvic acid

>  <Synonyms> (903)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (903)
Others

>  <Form> (903)
free base

>  <CAS> (903)
1113-59-3

>  <URL> (903)
http://selleckchem.com/products/bromopyruvic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/09132309312D

 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> (904)
904

>  <Formula> (904)
C8H6BrN

>  <MolWeight> (904)
196.04394

>  <Cat> (904)
S5439

>  <Name> (904)
5-Bromoindole

>  <Synonyms> (904)
N/A

>  <Target> (904)
GSK-3

>  <Form> (904)
free base

>  <CAS> (904)
10075-50-0

>  <URL> (904)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/09132309312D

 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> (905)
905

>  <Formula> (905)
C11H12O4

>  <MolWeight> (905)
208.21058

>  <Cat> (905)
S5451

>  <Name> (905)
Ferulic acid methyl ester

>  <Synonyms> (905)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (905)
Immunology & Inflammation related

>  <Form> (905)
free base

>  <CAS> (905)
149567

>  <URL> (905)
http://selleckchem.com/products/ferulic-acid-methylester.html

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/09132309312D

 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> (906)
906

>  <Formula> (906)
C20H14ClNO4

>  <MolWeight> (906)
367.78246

>  <Cat> (906)
S5452

>  <Name> (906)
Sanguinarine chloride

>  <Synonyms> (906)
N/A

>  <Target> (906)
phosphatase

>  <Form> (906)
chloride 

>  <CAS> (906)
5578-73-4

>  <URL> (906)
http://selleckchem.com/products/sanguinarine-chloride.html

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/09132309312D

 60 67  0  0  0  0  0  0  0  0999 V2000
    1.2167    4.1933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2167    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4269    2.0966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    4.9015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8429    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2668    2.0888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4745    2.7842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4801    4.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2673    4.8862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0491    4.1881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6808    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1046    2.0888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1052    4.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8871    4.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3178    4.1841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3070    2.7913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5011    2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7137    2.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5227    4.8751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7241    4.1635    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7523    6.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5316    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9537    6.2395    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9338    4.8373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1318    4.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3568    4.8031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1711    6.9274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3735    6.1992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5985    6.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6319    8.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4295    9.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1937    8.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    4.8891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    6.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    2.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    0.6942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2651    0.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4626    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2931    1.3954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5115    3.4778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199    3.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5613    4.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705    6.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3074    5.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7156    5.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7768    5.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7118    5.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1677    7.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2160    9.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6314    9.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1031    0.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
  4  7  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
  1  2  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
 31 36  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
 15 18  1  0  0  0  0
 13 37  1  1  0  0  0
 16 20  1  0  0  0  0
  6 38  1  1  0  0  0
 19 17  1  0  0  0  0
  2 39  1  1  0  0  0
 17 18  1  0  0  0  0
  1 40  1  6  0  0  0
 19 20  1  0  0  0  0
  4 41  1  6  0  0  0
  1  6  1  0  0  0  0
  3 42  1  6  0  0  0
  2  3  1  0  0  0  0
  9 43  1  6  0  0  0
  3  4  1  0  0  0  0
 10 44  1  6  0  0  0
  4  5  1  0  0  0  0
 20 45  1  6  0  0  0
 19 23  1  0  0  0  0
 23 46  1  6  0  0  0
 20 21  1  0  0  0  0
 28 47  1  6  0  0  0
 21 22  1  0  0  0  0
 30 48  1  6  0  0  0
 22 24  1  0  0  0  0
 12 49  1  1  0  0  0
 23 24  1  0  0  0  0
 16 50  1  1  0  0  0
  5  6  1  0  0  0  0
 19 51  1  1  0  0  0
  8 13  1  0  0  0  0
 24 52  1  1  0  0  0
  9 10  1  0  0  0  0
 27 53  1  1  0  0  0
 10 11  1  0  0  0  0
 32 54  1  1  0  0  0
 53 54  1  0  0  0  0
 23 26  1  0  0  0  0
 31 55  1  1  0  0  0
 24 28  1  0  0  0  0
 35 56  1  0  0  0  0
 27 25  1  0  0  0  0
 35 57  1  0  0  0  0
 25 26  2  0  0  0  0
 38 58  1  0  0  0  0
 27 28  1  0  0  0  0
 16 59  1  0  0  0  0
 11 12  1  0  0  0  0
 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (907)
907

>  <Formula> (907)
C42H68O13

>  <MolWeight> (907)
780.98152

>  <Cat> (907)
S5454

>  <Name> (907)
Saikosaponin D

>  <Synonyms> (907)
N/A

>  <Target> (907)
ATPase

>  <Form> (907)
free base

>  <CAS> (907)
20874-52-6

>  <URL> (907)
http://selleckchem.com/products/saikosaponin-d.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/09132309312D

 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
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   12.1404    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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  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
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (908)
908

>  <Formula> (908)
C20H20O4

>  <MolWeight> (908)
324.3704

>  <Cat> (908)
S5456

>  <Name> (908)
Isobavachalcone

>  <Synonyms> (908)
Corylifolinin

>  <Target> (908)
Anti-infection

>  <Form> (908)
free base

>  <CAS> (908)
20784-50-3

>  <URL> (908)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/09132309312D

 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
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  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
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  2  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
   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
   10.9119    0.0000    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
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  2  5  1  0  0  0  0
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  4 10  2  0  0  0  0
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  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
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 14 15  1  0  0  0  0
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 21 18  1  1  0  0  0
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 25 27  1  0  0  0  0
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 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> (909)
909

>  <Formula> (909)
C22H26O11

>  <MolWeight> (909)
466.43524

>  <Cat> (909)
S5457

>  <Name> (909)
Curculigoside

>  <Synonyms> (909)
Curculigoside A

>  <Target> (909)
Immunology & Inflammation related

>  <Form> (909)
free base

>  <CAS> (909)
85643-19-2

>  <URL> (909)
http://selleckchem.com/products/curculigoside.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/09132309312D

 44 47  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    7.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    8.4089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    7.7088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3081    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9127    5.6077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1259    6.3082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4868    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6985    3.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.2081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2685    3.5047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2685    2.0984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4837    1.3968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6956    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9036    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    9.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002   10.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9127    4.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3387    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5510    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7635    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9759    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    6.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1886    8.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9782    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6138    8.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6133    5.6060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
  3  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  1  0  0  0
 25 28  1  6  0  0  0
 24 29  1  1  0  0  0
 23 30  1  1  0  0  0
 22 20  1  6  0  0  0
 17 20  1  1  0  0  0
 31 32  1  0  0  0  0
 15 31  1  1  0  0  0
 18 33  1  6  0  0  0
 35 36  1  0  0  0  0
 34 35  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 37 42  2  0  0  0  0
 40 43  1  0  0  0  0
 39 44  1  0  0  0  0
 36 37  1  0  0  0  0
 19 34  1  1  0  0  0
 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (910)
910

>  <Formula> (910)
C29H36O15

>  <MolWeight> (910)
624.58714

>  <Cat> (910)
S5458

>  <Name> (910)
Verbascoside

>  <Synonyms> (910)
Acteoside, Kusaginin

>  <Target> (910)
Immunology & Inflammation related

>  <Form> (910)
free base

>  <CAS> (910)
61276-17-3

>  <URL> (910)
http://selleckchem.com/products/verbascoside.html

$$$$
S5464 Psoralidin.cdx
csChFnd80/09132309312D

 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
    9.6759    0.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6759    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7689    4.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1572    4.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7210    3.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1086    2.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417    3.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3787    5.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9821    5.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8884    0.0006    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
   13.2093    6.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  1 21  1  0  0  0  0
  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> (911)
911

>  <Formula> (911)
C20H16O5

>  <MolWeight> (911)
336.33804

>  <Cat> (911)
S5464

>  <Name> (911)
Psoralidin

>  <Synonyms> (911)
N/A

>  <Target> (911)
Estrogen/progestogen Receptor

>  <Form> (911)
free base

>  <CAS> (911)
18642-23-4

>  <URL> (911)
http://selleckchem.com/products/psoralidin.html

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/09132309312D

 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
    2.4239    5.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492    7.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    8.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    5.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0710    6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711    7.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8544    8.4091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    4.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    8.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4960    7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7140    8.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7129    9.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4961   10.5164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2784    9.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9213   10.5191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    4.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (912)
912

>  <Formula> (912)
C27H30O15

>  <MolWeight> (912)
594.5181

>  <Cat> (912)
S5468

>  <Name> (912)
Kaempferol-3-O-glucorhamnoside

>  <Synonyms> (912)
Kaempferol 3-neohesperidoside

>  <Target> (912)
Others

>  <Form> (912)
salt

>  <CAS> (912)
40437-72-7

>  <URL> (912)
http://selleckchem.com/products/kaempferol-3-o-glucorhamnoside.html

$$$$
S5516 Ellagic Acid, Dihydrate.cdx
csChFnd80/09132309312D

 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> (913)
913

>  <Formula> (913)
C14H8O9

>  <MolWeight> (913)
320.20792

>  <Cat> (913)
S5516

>  <Name> (913)
Ellagic Acid hydrate

>  <Synonyms> (913)
N/A

>  <Target> (913)
Casein Kinase

>  <Form> (913)
monohydrate 

>  <CAS> (913)
 314041-08-2

>  <URL> (913)
http://selleckchem.com/products/ellagic-acid-hydrate.html

$$$$
S5529 Galangin.cdx
csChFnd80/09132309312D

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    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
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M  END
>  <Mol_ID> (914)
914

>  <Formula> (914)
C15H10O5

>  <MolWeight> (914)
270.2369

>  <Cat> (914)
S5529

>  <Name> (914)
Galangin

>  <Synonyms> (914)
3,5,7-trihydroxyflavone; Norizalpinin

>  <Target> (914)
P450 (e.g. CYP17)

>  <Form> (914)
free base

>  <CAS> (914)
548-83-4

>  <URL> (914)
http://selleckchem.com/products/galangin.html

$$$$
S5545 DL-Serine.cdx
csChFnd80/09132309312D

  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
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  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (915)
915

>  <Formula> (915)
C3H7NO3

>  <MolWeight> (915)
105.09258

>  <Cat> (915)
S5545

>  <Name> (915)
DL-Serine

>  <Synonyms> (915)
N/A

>  <Target> (915)
PKM

>  <CAS> (915)
302-84-1

>  <URL> (915)
http://selleckchem.com/products/dl-serine.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/09132309312D

 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
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   27.9166   14.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   30.8633   19.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (916)
916

>  <Formula> (916)
C49H76O20

>  <MolWeight> (916)
985.11574

>  <Cat> (916)
S5554

>  <Name> (916)
Lanatoside C

>  <Synonyms> (916)
N/A

>  <Target> (916)
ATPase

>  <Form> (916)
free base

>  <CAS> (916)
17575-22-3

>  <URL> (916)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5584 Citronellol.cdx
csChFnd80/09132309312D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (917)
917

>  <Formula> (917)
C10H20O

>  <MolWeight> (917)
156.2652

>  <Cat> (917)
S5584

>  <Name> (917)
Citronellol

>  <Synonyms> (917)
dihydrogeraniol, (¡À)-¦Â-Citronellol

>  <Target> (917)
Others

>  <Form> (917)
free base

>  <CAS> (917)
106-22-9

>  <URL> (917)
http://selleckchem.com/products/citronellol.html

$$$$
S5588 Creatine.cdx
csChFnd80/09132309312D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (918)
918

>  <Formula> (918)
C4H9N3O2

>  <MolWeight> (918)
131.13316

>  <Cat> (918)
S5588

>  <Name> (918)
Creatine

>  <Synonyms> (918)
Methylguanidoacetic acid

>  <Target> (918)
Others

>  <Form> (918)
free base

>  <CAS> (918)
57-00-1

>  <URL> (918)
http://selleckchem.com/products/creatine.html

$$$$
UM-164.cdx
csChFnd80/09132309312D

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   16.0922    7.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4846    7.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9494    0.2890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (919)
919

>  <Formula> (919)
C30H31F3N8O3S

>  <MolWeight> (919)
640.6791496

>  <Cat> (919)
S8706

>  <Name> (919)
UM-164

>  <Synonyms> (919)
N/A

>  <Target> (919)
Src,p38 MAPK

>  <Form> (919)
free base

>  <CAS> (919)
903564-48-7

>  <URL> (919)
http://selleckchem.com/products/um-164.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/09132309312D

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   10.9121    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  9  1  0  0  0  0
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M  END
>  <Mol_ID> (920)
920

>  <Formula> (920)
C28H23ClF3N7O

>  <MolWeight> (920)
565.9767296

>  <Cat> (920)
S5205

>  <Name> (920)
Nilotinib hydrochloride

>  <Synonyms> (920)
AMN-107 HCl

>  <Target> (920)
Bcr-Abl

>  <Form> (920)
hydrochloride 

>  <CAS> (920)
923288-95-3

>  <URL> (920)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/09132309312D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (921)
921

>  <Formula> (921)
C22H23ClN4O7S

>  <MolWeight> (921)
522.95862

>  <Cat> (921)
S5240

>  <Name> (921)
lenvatinib Mesylate

>  <Synonyms> (921)
N/A

>  <Target> (921)
VEGFR

>  <Form> (921)
Mesylate

>  <CAS> (921)
 857890-39-2

>  <URL> (921)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$
S5265 TBB.cdx
csChFnd80/09132309312D

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  2  1  2  0  0  0  0
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  8  1  1  0  0  0  0
  4  2  1  0  0  0  0
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 10  3  1  0  0  0  0
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 12  5  1  0  0  0  0
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M  END
>  <Mol_ID> (922)
922

>  <Formula> (922)
C6HBr4N3

>  <MolWeight> (922)
434.70824

>  <Cat> (922)
S5265

>  <Name> (922)
TBB

>  <Synonyms> (922)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (922)
Casein Kinase

>  <CAS> (922)
17374-26-4

>  <URL> (922)
http://selleckchem.com/products/tbb.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (923)
923

>  <Formula> (923)
C22H28FN4O6P

>  <MolWeight> (923)
494.4530842

>  <Cat> (923)
S5272

>  <Name> (923)
Toceranib phosphate

>  <Synonyms> (923)
SU11654

>  <Target> (923)
PDGFR¦Â

>  <Form> (923)
phosphate 

>  <CAS> (923)
874819-74-6

>  <URL> (923)
http://selleckchem.com/products/.html

$$$$
ARQ 531.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (924)
924

>  <Formula> (924)
C25H23ClN4O4

>  <MolWeight> (924)
478.92752

>  <Cat> (924)
S8711

>  <Name> (924)
ARQ 531

>  <Synonyms> (924)
N/A

>  <Target> (924)
BTK

>  <Form> (924)
free base

>  <CAS> (924)
2095393-15-8

>  <URL> (924)
http://selleckchem.com/products/.html

$$$$
CCT245737.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (925)
925

>  <Formula> (925)
C16H16F3N7O

>  <MolWeight> (925)
379.3397496

>  <Cat> (925)
S8253

>  <Name> (925)
CCT245737 

>  <Synonyms> (925)
N/A

>  <Target> (925)
Chk

>  <Form> (925)
free base

>  <CAS> (925)
1489389-18-5

>  <URL> (925)
http://www.selleckchem.com/products/cct245737.html

$$$$
S5542 7-Nitroindazole.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (926)
926

>  <Formula> (926)
C7H5N3O2

>  <MolWeight> (926)
163.1335

>  <Cat> (926)
S5542

>  <Name> (926)
7-Nitroindazole

>  <Synonyms> (926)
N/A

>  <Target> (926)
neuronal?nitric oxide synthase

>  <Form> (926)
free base

>  <CAS> (926)
2942-42-9

>  <URL> (926)
http://selleckchem.com/products/.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/09132309312D

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   14.2095    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3866    8.9950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9561   10.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9943    8.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7324    5.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3019    3.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6942    3.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5171    4.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9477    6.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5553    6.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
  8 12  1  0  0  0  0
 12 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37  8  1  0  0  0  0
  7 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
M  END
>  <Mol_ID> (927)
927

>  <Formula> (927)
C30H34N8O3

>  <MolWeight> (927)
554.64276

>  <Cat> (927)
S8724

>  <Name> (927)
Lazertinib (YH25448,GNS-1480)

>  <Form> (927)
free base

>  <CAS> (927)
1903008-80-9

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/09132309312D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6481    3.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    4.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6482    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8605    4.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729    3.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8605    5.5826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0077    1.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4888    3.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (928)
928

>  <Formula> (928)
C9H10O5

>  <MolWeight> (928)
198.1727

>  <Cat> (928)
S5550

>  <Name> (928)
Ethyl gallate

>  <Synonyms> (928)
N/A

>  <Target> (928)
NF-¦ÊB

>  <CAS> (928)
831-61-8

>  <URL> (928)
http://selleckchem.com/products/.html

$$$$
S9361 Coumarin-3-carboxylic acid.cdx
csChFnd80/09132309312D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4354    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4302    0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    0.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    0.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0046    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (929)
929

>  <Formula> (929)
C10H6O4

>  <MolWeight> (929)
190.15224

>  <Cat> (929)
S9361

>  <Name> (929)
Coumarin-3-carboxylic acid

>  <Form> (929)
free base

>  <CAS> (929)
531-81-7

$$$$
S9366 5'-Adenylic acid.cdx
csChFnd80/09132309312D

 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> (930)
930

>  <Formula> (930)
C10H14N5O7P

>  <MolWeight> (930)
347.221221

>  <Cat> (930)
S9366

>  <Name> (930)
5'-Adenylic acid

>  <Form> (930)
free base

>  <CAS> (930)
61-19-8

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/09132309312D

 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> (931)
931

>  <Formula> (931)
C8H8O3

>  <MolWeight> (931)
152.14732

>  <Cat> (931)
S9374

>  <Name> (931)
2',5'-Dihydroxyacetophenone

>  <CAS> (931)
490-78-8

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/09132309312D

 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> (932)
932

>  <Formula> (932)
C15H24N2O2

>  <MolWeight> (932)
264.36326

>  <Cat> (932)
S9384

>  <Name> (932)
Sophocarpine Monohydrate

>  <Form> (932)
free base

>  <CAS> (932)
 145572-44-7

$$$$
S9393 (4S)-4-Hydroxy-L-isoleucine.cdx
csChFnd80/09132309312D

 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> (933)
933

>  <Formula> (933)
C6H13NO3

>  <MolWeight> (933)
147.17232

>  <Cat> (933)
S9393

>  <Name> (933)
(4S)-4-Hydroxy-L-isoleucine

>  <Form> (933)
free base

>  <CAS> (933)
55399-93-4

$$$$
S9406 Sauchinone.cdx
csChFnd80/09132309312D

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S9414 Cyasterone.cdx
csChFnd80/09132309312D

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free base

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17086-76-9

$$$$
S9417 Homoplantaginin.cdx
csChFnd80/09132309312D

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S9430 Tomatidine.cdx
csChFnd80/09132309312D

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 14 18  1  0  0  0  0
 14 33  1  6  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  1  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 20 35  1  6  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  1  0  0  0
 23 24  1  0  0  0  0
 24 27  1  0  0  0  0
 24 36  1  6  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
M  END
>  <Mol_ID> (937)
937

>  <Formula> (937)
C27H46ClNO2

>  <MolWeight> (937)
452.11264

>  <Cat> (937)
S9430

>  <Name> (937)
Tomatidine

>  <Form> (937)
free base

>  <CAS> (937)
6192-62-7

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/09132309312D

 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
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  2  5  2  0  0  0  0
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  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  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
  9 14  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
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 14 18  2  0  0  0  0
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 17 21  1  0  0  0  0
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 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (938)
938

>  <Formula> (938)
C22H24NO4+

>  <MolWeight> (938)
366.43026

>  <Cat> (938)
S9431

>  <Name> (938)
Dehydrocorydalin

>  <Form> (938)
free base

>  <CAS> (938)
30045-16-0

$$$$

csChFnd80/09132309312D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4110    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (939)
939

>  <Formula> (939)
C6H6Br6

>  <MolWeight> (939)
557.53584

>  <Cat> (939)
S5902

>  <Name> (939)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (939)
NSC7908

>  <Target> (939)
JAK

>  <Form> (939)
Free Base

>  <CAS> (939)
1837-91-8

>  <URL> (939)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 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
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (940)
940

>  <Formula> (940)
C16H15N3O3

>  <MolWeight> (940)
297.3086

>  <Cat> (940)
S5903

>  <Name> (940)
JANEX-1

>  <Synonyms> (940)
WHI-P131

>  <Target> (940)
JAK

>  <Form> (940)
Free Base

>  <CAS> (940)
202475-60-3

>  <URL> (940)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/09132309312D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.7234    6.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2848    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  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 15  1  0  0  0  0
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 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 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> (941)
941

>  <Formula> (941)
C16H13Br2N3O3

>  <MolWeight> (941)
455.10072

>  <Cat> (941)
S5904

>  <Name> (941)
WHI-P97

>  <Synonyms> (941)
N/A

>  <Target> (941)
JAK

>  <Form> (941)
Free Base

>  <CAS> (941)
211555-05-4

>  <URL> (941)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/09132309312D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 17 18  2  0  0  0  0
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 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
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 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
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M  END
>  <Mol_ID> (942)
942

>  <Formula> (942)
C22H23N5O2

>  <MolWeight> (942)
389.45032

>  <Cat> (942)
S5917

>  <Name> (942)
Solcitinib

>  <Synonyms> (942)
GLPG0778, GSK2586184

>  <Target> (942)
JAK

>  <Form> (942)
Free Base

>  <CAS> (942)
1206163-45-2

>  <URL> (942)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/09132309312D

 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
    2.4249    2.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4927    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0553    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9176    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3425    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5549    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7673    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9798    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1922    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    1.6125    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
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  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
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  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
 11 14  1  0  0  0  0
  7  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 22  1  0  0  0  0
M  END
>  <Mol_ID> (943)
943

>  <Formula> (943)
C19H33NO2

>  <MolWeight> (943)
307.47082

>  <Cat> (943)
S5950

>  <Name> (943)
Fingolimod

>  <Form> (943)
Free Base

>  <CAS> (943)
162359-55-9

$$$$

csChFnd80/09132309312D

 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
   10.7472    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9596    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9596    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5348    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3845    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3223    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3223    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1099    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8974    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1099    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2790    5.4555    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    4.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    6.8479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1333    0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1099    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  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 13  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 17 24  1  0  0  0  0
 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (944)
944

>  <Formula> (944)
C17H16N4O2S2

>  <MolWeight> (944)
372.46454

>  <Cat> (944)
S7302

>  <Name> (944)
TEPP-46 (ML265, CID-44246499, NCGC00186528)

>  <Synonyms> (944)
N/A

>  <Target> (944)
PKM

>  <Form> (944)
Free Base

>  <CAS> (944)
1221186-53-3

>  <URL> (944)
http://www.selleckchem.com/products/tepp-46.html

$$$$

csChFnd80/09132309312D

 38 43  0  0  0  0  0  0  0  0999 V2000
    2.6082    5.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6082    4.4040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8207    3.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0331    4.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0331    5.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8207    6.5040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2413    3.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2413    2.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4538    1.6064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6662    2.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6662    3.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4538    4.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9977    1.8738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8206    3.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4288    5.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7935    5.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7302    4.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0996    5.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5323    6.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2261    7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2925    8.1243    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2991    3.3887    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.0332    3.9699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3978    4.2599    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8573    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  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
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 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
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
  7 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  7  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  2  0  0  0  0
 31 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 31  1  0  0  0  0
 36 38  1  6  0  0  0
M  END
>  <Mol_ID> (945)
945

>  <Formula> (945)
C25H21F3N6O3S

>  <MolWeight> (945)
542.5328496

>  <Cat> (945)
S7965

>  <Name> (945)
PLX8394

>  <Synonyms> (945)
N/A

>  <Target> (945)
Raf

>  <Form> (945)
Free Base

>  <CAS> (945)
1393466-87-9

>  <URL> (945)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/09132309312D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.4018    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6142    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2474    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6377    3.8641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  5 14  1  0  0  0  0
  6 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
 17 21  1  1  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 12  1  0  0  0  0
M  END
>  <Mol_ID> (946)
946

>  <Formula> (946)
C16H20BrN5O

>  <MolWeight> (946)
378.2669

>  <Cat> (946)
S8526

>  <Name> (946)
GDC-0575 (ARRY-575, RG7741)

>  <Synonyms> (946)
N/A

>  <Target> (946)
Chk

>  <Form> (946)
Free Base

>  <CAS> (946)
1196541-47-5

>  <URL> (946)
http://www.selleckchem.com/products/gdc-0575.html

$$$$

csChFnd80/09132309312D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (947)
947

>  <Formula> (947)
C24H28N4O3

>  <MolWeight> (947)
420.50412

>  <Cat> (947)
S8556

>  <Name> (947)
AZ31

>  <Synonyms> (947)
N/A

>  <Target> (947)
ATM/ATR

>  <Form> (947)
Free Base

>  <CAS> (947)
2088113-98-6

>  <URL> (947)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/09132309312D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (948)
948

>  <Formula> (948)
C23H14ClF3N6O

>  <MolWeight> (948)
482.8450696

>  <Cat> (948)
S8560

>  <Name> (948)
Seletalisib (UCB-5857)

>  <Synonyms> (948)
N/A

>  <Target> (948)
PI3K

>  <Form> (948)
Free Base

>  <CAS> (948)
1362850-20-1

>  <URL> (948)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/09132309312D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (949)
949

>  <Formula> (949)
C29H29FN4O

>  <MolWeight> (949)
468.5651632

>  <Cat> (949)
S8609

>  <Name> (949)
Derazantinib(ARQ-087)

>  <Synonyms> (949)
N/A

>  <Target> (949)
FGFR

>  <Form> (949)
Free Base

>  <CAS> (949)
1234356-69-4

>  <URL> (949)
http://www.selleckchem.com/products/derazantinib.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (950)
950

>  <Formula> (950)
C13H12ClN3O2

>  <MolWeight> (950)
277.70628

>  <Cat> (950)
S8641

>  <Name> (950)
Nec-1s (7-Cl-O-Nec1)

>  <Synonyms> (950)
Necrostatin-1 stable

>  <Target> (950)
TNF-alpha

>  <Form> (950)
Free Base

>  <CAS> (950)
852391-15-2

>  <URL> (950)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/09132309312D

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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 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> (951)
951

>  <Formula> (951)
C24H18ClN3O3

>  <MolWeight> (951)
431.87102

>  <Cat> (951)
S8654

>  <Name> (951)
ex229 (compound 991)

>  <Synonyms> (951)
N/A

>  <Target> (951)
AMPK

>  <Form> (951)
Free Base

>  <CAS> (951)
1219739-36-2

>  <URL> (951)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/09132309312D

 35 39  0  0  0  0  0  0  0  0999 V2000
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    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 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  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
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 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
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 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> (952)
952

>  <Formula> (952)
C24H23FN8O2

>  <MolWeight> (952)
474.4902232

>  <Cat> (952)
S8679

>  <Name> (952)
BTK inhibitor 1 (Compound 27)

>  <Synonyms> (952)
N/A

>  <Target> (952)
BTK

>  <Form> (952)
Free Base

>  <CAS> (952)
2230724-66-8

>  <URL> (952)
http://www.selleckchem.com/products/btk-inhibitor-1-compound27.html

$$$$

csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    4.8374    5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2297    5.9380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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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
  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> (953)
953

>  <Formula> (953)
C14H11ClN4S2

>  <MolWeight> (953)
334.84694

>  <Cat> (953)
S8700

>  <Name> (953)
TP0427736 HCl

>  <Synonyms> (953)
N/A

>  <Target> (953)
ALK

>  <Form> (953)
hydrochloride

>  <CAS> (953)
864374-00-5

>  <URL> (953)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/09132309312D

 36 39  0  0  0  0  0  0  0  0999 V2000
    2.4725    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3222    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23  8  2  0  0  0  0
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 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (954)
954

>  <Formula> (954)
C28H30FN3O4

>  <MolWeight> (954)
491.5539032

>  <Cat> (954)
S8723

>  <Name> (954)
ABBV-744

>  <Synonyms> (954)
N/A

>  <Target> (954)
Epigenetic Reader Do

>  <Form> (954)
Free Base

>  <CAS> (954)
2138861-99-9

>  <URL> (954)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/09132309312D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  5  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
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 23 26  1  0  0  0  0
  8 27  1  0  0  0  0
M  END
>  <Mol_ID> (955)
955

>  <Formula> (955)
C18H18FN5O2S

>  <MolWeight> (955)
387.4312232

>  <Cat> (955)
S8727

>  <Name> (955)
Atuveciclib (BAY-1143572)

>  <Synonyms> (955)
N/A

>  <Target> (955)
CDK

>  <Form> (955)
Free Base

>  <CAS> (955)
1414943-88-6

>  <URL> (955)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/09132309312D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  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
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (956)
956

>  <Formula> (956)
C20H16N4O

>  <MolWeight> (956)
328.36724

>  <Cat> (956)
S8729

>  <Name> (956)
AZ32

>  <Synonyms> (956)
N/A

>  <Target> (956)
ATM/ATR

>  <Form> (956)
Free Base

>  <CAS> (956)
No CAS

>  <URL> (956)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/09132309312D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  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
  7 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  7  1  0  0  0  0
  8 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  8  1  0  0  0  0
 14 25  1  0  0  0  0
 12 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (957)
957

>  <Formula> (957)
C17H20F3N7O2

>  <MolWeight> (957)
411.3816096

>  <Cat> (957)
S8738

>  <Name> (957)
Bimiralisib (PQR309)

>  <Synonyms> (957)
N/A

>  <Target> (957)
PI3K

>  <Form> (957)
Free Base

>  <CAS> (957)
1225037-39-7

>  <URL> (957)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/09132309312D

 36 40  0  0  0  0  0  0  0  0999 V2000
    3.6373   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
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 30 31  1  0  0  0  0
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 32 33  1  0  0  0  0
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 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (958)
958

>  <Formula> (958)
C26H26FN7O2

>  <MolWeight> (958)
487.5287432

>  <Cat> (958)
S8741

>  <Name> (958)
Avitinib (AC0010)

>  <Synonyms> (958)
N/A

>  <Target> (958)
EGFR

>  <Form> (958)
Free Base

>  <CAS> (958)
1557267-42-1

>  <URL> (958)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/09132309312D

 36 39  0  0  0  0  0  0  0  0999 V2000
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  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 23  1  0  0  0  0
  6 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (959)
959

>  <Formula> (959)
C25H25F3N4O4

>  <MolWeight> (959)
502.4856096

>  <Cat> (959)
S8745

>  <Name> (959)
LXH254

>  <Synonyms> (959)
N/A

>  <Target> (959)
Raf

>  <Form> (959)
Free Base

>  <CAS> (959)
1800398-38-2

>  <URL> (959)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/09132309312D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (960)
960

>  <Formula> (960)
C22H18N4

>  <MolWeight> (960)
338.40512

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S8749

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MBQ-167

>  <Synonyms> (960)
N/A

>  <Target> (960)
Rho

>  <Form> (960)
Free Base

>  <CAS> (960)
2097938-73-1

>  <URL> (960)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/09132309312D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (961)
961

>  <Formula> (961)
C21H25F3N6O2

>  <MolWeight> (961)
450.4574096

>  <Cat> (961)
S8752

>  <Name> (961)
leniolisib(CDZ 173)

>  <Synonyms> (961)
N/A

>  <Target> (961)
PI3K

>  <Form> (961)
Free Base

>  <CAS> (961)
1354690-24-6

>  <URL> (961)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (962)
962

>  <Formula> (962)
C19H15N3O6S

>  <MolWeight> (962)
413.4039

>  <Cat> (962)
S8754

>  <Name> (962)
Alofanib(RPT835)

>  <Synonyms> (962)
N/A

>  <Target> (962)
FGFR

>  <Form> (962)
Free Base

>  <CAS> (962)
1612888-66-0

>  <URL> (962)
http://www.selleckchem.com/products/alofanib-rpt835.html

$$$$

csChFnd80/09132309312D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (963)
963

>  <Formula> (963)
C24H21BrFN5O2

>  <MolWeight> (963)
510.3582432

>  <Cat> (963)
S8757

>  <Name> (963)
Ripretinib (DCC-2618)

>  <Synonyms> (963)
N/A

>  <Target> (963)
c-Kit

>  <Form> (963)
Free Base

>  <CAS> (963)
1442472-39-0

>  <URL> (963)
http://www.selleckchem.com/products/ripretinib-dcc-2618.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (964)
964

>  <Formula> (964)
C26H23FN8O

>  <MolWeight> (964)
482.5122232

>  <Cat> (964)
S8764

>  <Name> (964)
IITZ-01

>  <Synonyms> (964)
N/A

>  <Target> (964)
Autophagy

>  <Form> (964)
Free Base

>  <CAS> (964)
1807988-47-1

>  <URL> (964)
http://www.selleckchem.com/products/iitz-01.html

$$$$
S9023 20S-Ginsenoside Rh2.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (965)
965

>  <Formula> (965)
C36H62O8

>  <MolWeight> (965)
622.87268

>  <Cat> (965)
S9023

>  <Name> (965)
20S-Ginsenoside Rh2

>  <Form> (965)
free base

>  <CAS> (965)
78214-33-2

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (966)
966

>  <Formula> (966)
C38H46O8

>  <MolWeight> (966)
630.76704

>  <Cat> (966)
S9031

>  <Name> (966)
Gambogenic acid

>  <Form> (966)
free base

>  <CAS> (966)
173932-75-7

$$$$
S9071 Nootkatone.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (967)
967

>  <Formula> (967)
C15H22O

>  <MolWeight> (967)
218.33458

>  <Cat> (967)
S9071

>  <Name> (967)
Nootkatone

>  <Form> (967)
free base

>  <CAS> (967)
4674-50-4

$$$$
S9075 Mulberroside A.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (968)
968

>  <Formula> (968)
C26H32O14

>  <MolWeight> (968)
568.52388

>  <Cat> (968)
S9075

>  <Name> (968)
Mulberroside A

>  <Form> (968)
free base

>  <CAS> (968)
102841-42-9

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/09132309312D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (969)
969

>  <Formula> (969)
C21H20O6

>  <MolWeight> (969)
368.3799

>  <Cat> (969)
S9080

>  <Name> (969)
Anhydroicaritin

>  <Form> (969)
free base

>  <CAS> (969)
118525-40-9

$$$$
S9084 Rhoifolin.cdx
csChFnd80/09132309312D

 41 45  0  0  0  0  0  0  0  0999 V2000
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    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
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   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    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
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (970)
970

>  <Formula> (970)
C27H30O14

>  <MolWeight> (970)
578.5187

>  <Cat> (970)
S9084

>  <Name> (970)
Rhoifolin

>  <Form> (970)
free base

>  <CAS> (970)
17306-46-6

$$$$
S9092 Norisoboldine.cdx
csChFnd80/09132309312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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41059-79-4

$$$$
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csChFnd80/09132309312D

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976

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>  <MolWeight> (976)
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>  <Cat> (976)
S9111

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Isorhamnetin

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free base

>  <CAS> (976)
480-19-3

$$$$
S9112 Kaempferitrin.cdx
csChFnd80/09132309312D

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>  <MolWeight> (977)
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>  <Cat> (977)
S9112

>  <Name> (977)
Kaempferitrin

>  <Form> (977)
free base

>  <CAS> (977)
482-38-2

$$$$
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csChFnd80/09132309312D

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50773-41-6

$$$$
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csChFnd80/09132309312D

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5273-86-9

$$$$
S9120 Scutellarein.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (980)
980

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>  <Cat> (980)
S9120

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Scutellarein

>  <CAS> (980)
529-53-3

$$$$
S9127 Carnosol.cdx
csChFnd80/09132309312D

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981

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>  <MolWeight> (981)
330.41804

>  <Cat> (981)
S9127

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Carnosol

>  <Form> (981)
free base

>  <CAS> (981)
5957-80-2

$$$$
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csChFnd80/09132309312D

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>  <Formula> (982)
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>  <MolWeight> (982)
608.7233

>  <Cat> (982)
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>  <Name> (982)
Berbamine

>  <Form> (982)
free base

>  <CAS> (982)
478-61-5

$$$$
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csChFnd80/09132309312D

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M  END
>  <Mol_ID> (983)
983

>  <Formula> (983)
C20H18NO4+

>  <MolWeight> (983)
336.36122

>  <Cat> (983)
S9152

>  <Name> (983)
Epiberberine

>  <Form> (983)
free base

>  <CAS> (983)
1816598

$$$$
S9159 Momordin Ic.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (984)
984

>  <Formula> (984)
C41H64O13

>  <MolWeight> (984)
764.93906

>  <Cat> (984)
S9159

>  <Name> (984)
Momordin Ic

>  <Form> (984)
free base

>  <CAS> (984)
96990-18-0

$$$$
S9162 Rubimaillin.cdx
csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (985)
985

>  <Formula> (985)
C17H16O4

>  <MolWeight> (985)
284.30654

>  <Cat> (985)
S9162

>  <Name> (985)
Rubimaillin

>  <CAS> (985)
55481-88-4

$$$$
S9172 Phellodendrine.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (986)
986

>  <Formula> (986)
C20H24NO4+

>  <MolWeight> (986)
342.40886

>  <Cat> (986)
S9172

>  <Name> (986)
Phellodendrine

>  <Form> (986)
free base

>  <CAS> (986)
6873-13-8

$$$$
S9184 Forsythoside B.cdx
csChFnd80/09132309312D

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   13.3352    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6983    3.5007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4860    4.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2738    3.5007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2738    2.1004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4860    1.4003    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6983    2.1004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2738    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    5.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8491    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    5.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    9.8021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2738    7.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6369    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107    1.4003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    1.4003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6983   10.5022    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9754    9.9319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9155   10.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153   12.1814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8474   11.8962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5702   12.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153   13.5817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8102   12.8297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7825   11.8442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
  5  7  1  1  0  0  0
  3 18  1  1  0  0  0
  1 19  1  1  0  0  0
  4 20  1  6  0  0  0
  2 21  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 28 21  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 19 32  1  0  0  0  0
 28 33  2  0  0  0  0
 31 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 31  1  0  0  0  0
 36 39  1  0  0  0  0
 35 40  1  0  0  0  0
 22 18  1  1  0  0  0
 27 42  1  6  0  0  0
 25 43  1  1  0  0  0
 26 41  1  6  0  0  0
 24 44  1  6  0  0  0
 45 32  1  1  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 45  1  0  0  0  0
 48 50  1  1  0  0  0
 48 51  1  6  0  0  0
 49 52  1  6  0  0  0
 50 53  1  0  0  0  0
M  END
>  <Mol_ID> (987)
987

>  <Formula> (987)
C34H44O19

>  <MolWeight> (987)
756.70176

>  <Cat> (987)
S9184

>  <Name> (987)
Forsythoside B

>  <Form> (987)
free base

>  <CAS> (987)
81525-13-5

$$$$
S9190 Oroxin B.cdx
csChFnd80/09132309312D

 42 46  0  0  0  0  0  0  0  0999 V2000
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 19  1  6  0  0  0
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 32 31  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
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 35 36  1  0  0  0  0
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 37 32  1  0  0  0  0
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 34 39  1  6  0  0  0
 37 40  1  1  0  0  0
 35 41  1  1  0  0  0
 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (988)
988

>  <Formula> (988)
C27H30O15

>  <MolWeight> (988)
594.5181

>  <Cat> (988)
S9190

>  <Name> (988)
Oroxin B

>  <Form> (988)
free base

>  <CAS> (988)
114482-86-9

$$$$

csChFnd80/09132309312D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.7688    8.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 14 19  2  0  0  0  0
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 13 20  2  0  0  0  0
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M  END
>  <Mol_ID> (989)
989

>  <Formula> (989)
C16H11N3O2

>  <MolWeight> (989)
277.27744

>  <Cat> (989)
S2009

>  <Name> (989)
Indirubin-3'-monoxime

>  <Synonyms> (989)
Indirubin-3'-oxime

>  <Target> (989)
CDK

>  <Form> (989)
Free Base

>  <CAS> (989)
160807-49-8

>  <URL> (989)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/09132309312D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  4  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
  2 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
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 22 23  1  0  0  0  0
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 18 23  1  0  0  0  0
 27 28  1  0  0  0  0
 16 27  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (990)
990

>  <Formula> (990)
C20H20N4O3S

>  <MolWeight> (990)
396.4628

>  <Cat> (990)
S2039

>  <Name> (990)
IRAK inhibitor 6

>  <Synonyms> (990)
N/A

>  <Target> (990)
IL Receptor

>  <Form> (990)
Free Base

>  <CAS> (990)
1042672-97-8

>  <URL> (990)
http://www.selleck.cn/products/irak-inhibitor-6.html

$$$$
S9230 Vaccarin.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (991)
991

>  <Formula> (991)
C32H38O19

>  <MolWeight> (991)
726.63272

>  <Cat> (991)
S9230

>  <Name> (991)
Vaccarin

>  <Form> (991)
free base

>  <CAS> (991)
53452-16-7

$$$$
S9240 Isofraxidin.cdx
csChFnd80/09132309312D

 16 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (992)
992

>  <Formula> (992)
C11H10O5

>  <MolWeight> (992)
222.1941

>  <Cat> (992)
S9240

>  <Name> (992)
Isofraxidin

>  <Form> (992)
free base

>  <CAS> (992)
486-21-5

$$$$
S9242 Narirutin.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (993)
993

>  <Formula> (993)
C27H32O14

>  <MolWeight> (993)
580.53458

>  <Cat> (993)
S9242

>  <Name> (993)
Narirutin

>  <Form> (993)
free base

>  <CAS> (993)
14259-46-2

$$$$
S9275 Isoguanosine.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (994)
994

>  <Formula> (994)
C10H13N5O5

>  <MolWeight> (994)
283.24072

>  <Cat> (994)
S9275

>  <Name> (994)
Isoguanosine

>  <Form> (994)
free base

>  <CAS> (994)
1818-71-9

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (995)
995

>  <Formula> (995)
C19H21N3O2S

>  <MolWeight> (995)
355.45394

>  <Cat> (995)
S2070

>  <Name> (995)
ISCK03

>  <Synonyms> (995)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (995)
c-Kit

>  <Form> (995)
Free Base

>  <CAS> (995)
945526-43-2

>  <URL> (995)
http://www.selleck.cn/products/isck03.html

$$$$
S9288 Casticin.cdx
csChFnd80/09132309312D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 11 15  1  0  0  0  0
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M  END
>  <Mol_ID> (996)
996

>  <Formula> (996)
C19H18O8

>  <MolWeight> (996)
374.34142

>  <Cat> (996)
S9288

>  <Name> (996)
Casticin

>  <Form> (996)
free base

>  <CAS> (996)
479-91-4

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/09132309312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 14  3  1  0  0  0  0
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 13  6  1  0  0  0  0
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 10  7  1  0  0  0  0
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M  END
>  <Mol_ID> (997)
997

>  <Formula> (997)
C15H20O2

>  <MolWeight> (997)
232.3181

>  <Cat> (997)
S9314

>  <Name> (997)
Atractylenolide II

>  <Form> (997)
free base

>  <CAS> (997)
73069-14-4

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/09132309312D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (998)
998

>  <Formula> (998)
C21H22O7

>  <MolWeight> (998)
386.39518

>  <Cat> (998)
S9315

>  <Name> (998)
Praeruptorin A

>  <Form> (998)
free base

>  <CAS> (998)
73069-25-7

$$$$
S5548 7-Hydroxy-4-chromone.cdx
csChFnd80/09132309312D

 12 13  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (999)
999

>  <Formula> (999)
C9H6O3

>  <MolWeight> (999)
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>  <Cat> (999)
S5548

>  <Name> (999)
7-Hydroxy-4-chromone

>  <Target> (999)
Src

>  <Form> (999)
free base

>  <CAS> (999)
59887-89-7

>  <URL> (999)
http://selleckchem.com/products/.html

$$$$
S5617 Myristic Acid.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,000)
1000

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C14H28O2

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228.37092

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S5617

>  <Name> (1,000)
Myristic Acid

>  <Form> (1,000)
free base

>  <CAS> (1,000)
544-63-8

$$$$
S9041 Corosolic acid.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (1,001)
1001

>  <Formula> (1,001)
C30H48O4

>  <MolWeight> (1,001)
472.69972

>  <Cat> (1,001)
S9041

>  <Name> (1,001)
Corosolic acid

>  <Form> (1,001)
free base

>  <CAS> (1,001)
4547-24-4

$$$$
S9035 Isovitexin.cdx
csChFnd80/09132309312D

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1002

>  <Formula> (1,002)
C21H20O10

>  <MolWeight> (1,002)
432.3775

>  <Cat> (1,002)
S9035

>  <Name> (1,002)
Isovitexin

>  <Form> (1,002)
free base

>  <CAS> (1,002)
29702-25-8

$$$$
S9042 Wedelolactone.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (1,003)
1003

>  <Formula> (1,003)
C16H10O7

>  <MolWeight> (1,003)
314.2464

>  <Cat> (1,003)
S9042

>  <Name> (1,003)
Wedelolactone

>  <Form> (1,003)
free base

>  <CAS> (1,003)
524-12-9

$$$$
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csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,004)
1004

>  <Formula> (1,004)
C42H72O13

>  <MolWeight> (1,004)
785.01328

>  <Cat> (1,004)
S9022

>  <Name> (1,004)
20S-Ginsenoside Rg3

>  <Form> (1,004)
free base

>  <CAS> (1,004)
14197-60-5

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,005)
1005

>  <Formula> (1,005)
C16H14N2O2

>  <MolWeight> (1,005)
266.29456

>  <Cat> (1,005)
S2115

>  <Name> (1,005)
RG 13022

>  <Synonyms> (1,005)
Tyrphostin RG13022

>  <Target> (1,005)
EGFR

>  <Form> (1,005)
Free Base

>  <CAS> (1,005)
136831-48-6

>  <URL> (1,005)
http://www.selleck.cn/products/rg-13022.html

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,006)
1006

>  <Formula> (1,006)
C15H8O4

>  <MolWeight> (1,006)
252.22162

>  <Cat> (1,006)
S9359

>  <Name> (1,006)
Anthraquinone-2-carboxylic Acid

>  <Form> (1,006)
free base

>  <CAS> (1,006)
117-78-2

$$$$
S9376 Benzylacetone.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (1,007)
1007

>  <Formula> (1,007)
C10H12O

>  <MolWeight> (1,007)
148.20168

>  <Cat> (1,007)
S9376

>  <Name> (1,007)
Benzylacetone

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free base

>  <CAS> (1,007)
2550-26-7

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/09132309312D

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>  <Name> (1,008)
Lapatinib ditosylate monohydrate

>  <Synonyms> (1,008)
Tykerb Ditosylate

>  <Target> (1,008)
Others

>  <Form> (1,008)
ditosylate monohydrate

>  <CAS> (1,008)
388082-78-8

>  <URL> (1,008)
http://selleckchem.com/products/.html

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/09132309312D

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>  <Formula> (1,009)
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>  <Cat> (1,009)
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>  <Name> (1,009)
Dasatinib hydrochloride

>  <Synonyms> (1,009)
BMS 354825 hydrochloride

>  <Target> (1,009)
Abl/Src

>  <Form> (1,009)
hydrochloride 

>  <CAS> (1,009)
854001-07-3

>  <URL> (1,009)
http://selleckchem.com/products/.html

$$$$
S5716 Abemaciclib.cdx
csChFnd80/09132309312D

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1010

>  <Formula> (1,010)
C27H32F2N8

>  <MolWeight> (1,010)
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>  <Cat> (1,010)
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>  <Name> (1,010)
Abemaciclib

>  <Synonyms> (1,010)
LY2835219

>  <Target> (1,010)
CDK

>  <Form> (1,010)
free base

>  <CAS> (1,010)
1231929-97-7 

>  <URL> (1,010)
http://selleckchem.com/products/abemaciclib.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/09132309312D

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>  <Mol_ID> (1,011)
1011

>  <Formula> (1,011)
C21H19N3O5

>  <MolWeight> (1,011)
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>  <Cat> (1,011)
S5667

>  <Name> (1,011)
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>  <Target> (1,011)
VEGFRs

>  <CAS> (1,011)
1194506-26-7

>  <URL> (1,011)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/09132309312D

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 34 29  1  0  0  0  0
  1 35  1  0  0  0  0
 35 36  3  0  0  0  0
M  END
>  <Mol_ID> (1,012)
1012

>  <Formula> (1,012)
C30H34N4O2

>  <MolWeight> (1,012)
482.61656

>  <Cat> (1,012)
S2762

>  <Name> (1,012)
Alectinib (CH5424802)

>  <Synonyms> (1,012)
AF-802,RG-7853

>  <Target> (1,012)
ALK

>  <Form> (1,012)
Free Base

>  <CAS> (1,012)
1256580-46-7

>  <URL> (1,012)
http://www.selleckchem.com/products/ch5424802.html

$$$$

csChFnd80/09132309312D

 42 44  0  0  0  0  0  0  0  0999 V2000
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 13  7  1  0  0  0  0
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 17 13  1  0  0  0  0
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 22  9  1  0  0  0  0
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 18 24  1  0  0  0  0
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 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
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 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> (1,013)
1013

>  <Formula> (1,013)
C29H37N7O5S

>  <MolWeight> (1,013)
595.71298

>  <Cat> (1,013)
S5078

>  <Name> (1,013)
Osimertinib mesylate

>  <Synonyms> (1,013)
AZD9291 mesylate

>  <Target> (1,013)
EGFR

>  <Form> (1,013)
mesylate

>  <CAS> (1,013)
1421373-66-1

>  <URL> (1,013)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/09132309312D

 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
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  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
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 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> (1,014)
1014

>  <Formula> (1,014)
C19H17N4NaO2S

>  <MolWeight> (1,014)
388.41865

>  <Cat> (1,014)
S5502

>  <Name> (1,014)
Ilaprazole sodium

>  <Synonyms> (1,014)
IY-81149 sodium

>  <Target> (1,014)
Proton Pump

>  <Form> (1,014)
Sodium Salt

>  <CAS> (1,014)
172152-50-0

>  <URL> (1,014)
http://www.selleckchem.com/products/iiaprazole-sodium.html

$$$$

csChFnd80/09132309312D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,015)
1015

>  <Formula> (1,015)
C16H21Cl2N3

>  <MolWeight> (1,015)
326.26404

>  <Cat> (1,015)
S5670

>  <Name> (1,015)
Chloropyramine hydrochloride

>  <Synonyms> (1,015)
Halopyramine hydrochloride

>  <Target> (1,015)
Histamine Receptor

>  <Form> (1,015)
hydrochloride

>  <CAS> (1,015)
6170-42-9

>  <URL> (1,015)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/09132309312D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,016)
1016

>  <Formula> (1,016)
C16H20N7O6PS

>  <MolWeight> (1,016)
469.412061

>  <Cat> (1,016)
S5754

>  <Name> (1,016)
Baricitinib phosphate

>  <Synonyms> (1,016)
INCB-028050 phosphate, LY-3009104 phosphate 

>  <Target> (1,016)
JAK

>  <Form> (1,016)
phosphate

>  <CAS> (1,016)
1187595-84-1

>  <URL> (1,016)
http://www.selleckchem.com/products/baricitinib-phosphate.html

$$$$

csChFnd80/09132309312D

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1017

>  <Formula> (1,017)
C22H21ClN2O3

>  <MolWeight> (1,017)
396.86674

>  <Cat> (1,017)
S5792

>  <Name> (1,017)
CID 2011756

>  <Synonyms> (1,017)
N/A

>  <Target> (1,017)
Serine/threonin kina

>  <Form> (1,017)
Free Base

>  <CAS> (1,017)
638156-11-3

>  <URL> (1,017)
http://www.selleckchem.com/products/cid-2011756.html

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1018

>  <Formula> (1,018)
C22H23N5O

>  <MolWeight> (1,018)
373.45092

>  <Cat> (1,018)
S5793

>  <Name> (1,018)
Motesanib (AMG-706)

>  <Synonyms> (1,018)
N/A

>  <Target> (1,018)
VEGFR

>  <Form> (1,018)
Free Base

>  <CAS> (1,018)
453562-69-1

>  <URL> (1,018)
http://www.selleckchem.com/products/motesanib-amg-706.html

$$$$

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>  <Mol_ID> (1,019)
1019

>  <Formula> (1,019)
C20H18N2O4S

>  <MolWeight> (1,019)
382.43292

>  <Cat> (1,019)
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>  <Name> (1,019)
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>  <Synonyms> (1,019)
N/A

>  <Target> (1,019)
Others

>  <Form> (1,019)
Free Base

>  <CAS> (1,019)
173529-10-7

>  <URL> (1,019)
http://www.selleckchem.com/products/hmn-176.html

$$$$

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acalisib (GS-9820)

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PI3K

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870281-34-8

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N/A

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TGF-beta/Smad

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>  <CAS> (1,021)
1898283-02-7

>  <URL> (1,021)
http://www.selleckchem.com/products/ly3200882.html

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>  <Formula> (1,022)
C24H24N4O

>  <MolWeight> (1,022)
384.47356

>  <Cat> (1,022)
S8775

>  <Name> (1,022)
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>  <Synonyms> (1,022)
N/A

>  <Target> (1,022)
Serine/threonin kina

>  <Form> (1,022)
Free Base

>  <CAS> (1,022)
2158197-70-5

>  <URL> (1,022)
http://www.selleckchem.com/products/hs-1371.html

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C25H27N5O2

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>  <Cat> (1,023)
S8777

>  <Name> (1,023)
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>  <Synonyms> (1,023)
M-2951, MSC-2364447C

>  <Target> (1,023)
BTK

>  <Form> (1,023)
Free Base

>  <CAS> (1,023)
1415823-73-2

>  <URL> (1,023)
http://www.selleckchem.com/products/evobrutinib.html

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CC-90003

>  <Synonyms> (1,024)
N/A

>  <Target> (1,024)
ERK

>  <Form> (1,024)
Free Base

>  <CAS> (1,024)
1621999-82-3

>  <URL> (1,024)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,025)
1025

>  <Formula> (1,025)
C27H19ClN2O3

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454.90436

>  <Cat> (1,025)
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>  <Name> (1,025)
MK-3903

>  <Synonyms> (1,025)
N/A

>  <Target> (1,025)
AMPK

>  <Form> (1,025)
Free Base

>  <CAS> (1,025)
1219737-12-8

>  <URL> (1,025)
http://www.selleckchem.com/products/mk-3903.html

$$$$

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>  <Mol_ID> (1,026)
1026

>  <Formula> (1,026)
C28H32O16

>  <MolWeight> (1,026)
624.54408

>  <Cat> (1,026)
S9455

>  <Name> (1,026)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (1,026)
N/A

>  <Target> (1,026)
Others

>  <Form> (1,026)
Free Base

>  <CAS> (1,026)
55033-90-4

>  <URL> (1,026)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,027)
1027

>  <Formula> (1,027)
C30H48O5

>  <MolWeight> (1,027)
488.69912

>  <Cat> (1,027)
S9514

>  <Name> (1,027)
Rotundic acid

>  <Synonyms> (1,027)
Rutundic acid

>  <Target> (1,027)
Others

>  <Form> (1,027)
Free Base

>  <CAS> (1,027)
20137-37-5

>  <URL> (1,027)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

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    8.4870    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.3003    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
  4  9  1  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
  6 13  1  0  0  0  0
  7 14  1  6  0  0  0
  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 12  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,028)
1028

>  <Formula> (1,028)
C17H16O5

>  <MolWeight> (1,028)
300.30594

>  <Cat> (1,028)
S9552

>  <Name> (1,028)
Farrerol

>  <Synonyms> (1,028)
N/A

>  <Target> (1,028)
Others

>  <Form> (1,028)
Free Base

>  <CAS> (1,028)
24211-30-1

>  <URL> (1,028)
http://www.selleckchem.com/products/farrerol.html

$$$$

csChFnd80/09132309312D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  2  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,029)
1029

>  <Formula> (1,029)
C10H8O5

>  <MolWeight> (1,029)
208.16752

>  <Cat> (1,029)
S9503

>  <Name> (1,029)
Fraxetin

>  <Synonyms> (1,029)
7,8-dihydroxy-6-methoxy coumarin

>  <Target> (1,029)
Others

>  <Form> (1,029)
free base

>  <CAS> (1,029)
574-84-5

>  <URL> (1,029)
http://selleckchem.com/products/.html

$$$$

csChFnd80/09132309312D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,030)
1030

>  <Formula> (1,030)
C10H10O2

>  <MolWeight> (1,030)
162.1852

>  <Cat> (1,030)
S6221

>  <Name> (1,030)
Methyl cinnamate

>  <Synonyms> (1,030)
N/A

>  <Target> (1,030)
Others

>  <Form> (1,030)
free base

>  <CAS> (1,030)
103-26-4

>  <URL> (1,030)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/09132309312D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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> (1,031)
1031

>  <Formula> (1,031)
C7H9N5

>  <MolWeight> (1,031)
163.17986

>  <Cat> (1,031)
S6088

>  <Name> (1,031)
6-(Dimethylamino)purine

>  <Synonyms> (1,031)
N,N-Dimethyladenine

>  <Target> (1,031)
Serine/threonin kina

>  <Form> (1,031)
free base

>  <CAS> (1,031)
938-55-6

>  <URL> (1,031)
http://www.selleck.cn/products/6-dimethylamino-purine.html

$$$$

csChFnd80/09132309312D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,032)
1032

>  <Formula> (1,032)
C9H10O4

>  <MolWeight> (1,032)
182.1733

>  <Cat> (1,032)
S6338

>  <Name> (1,032)
3,4-Dihydroxyhydrocinnamic acid

>  <Synonyms> (1,032)
Dihydrocaffeic acid

>  <Target> (1,032)
Others

>  <Form> (1,032)
free base

>  <CAS> (1,032)
1078-61-1

>  <URL> (1,032)
http://www.selleck.cn/products/3-4-dihydroxyhydrocinnamic-acid.html

$$$$

csChFnd80/09132309312D

 38 43  0  0  0  0  0  0  0  0999 V2000
    4.6406    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    8.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    6.0932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2199    7.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    8.3584    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    8.6258    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    8.4953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    6.5335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    4.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    3.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    4.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    5.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0777    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3839    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8165    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8798    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6199    7.2258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3199    6.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6199    4.8010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7199    6.0134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4199    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8199    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5199    3.5885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8199    2.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5199    1.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199    1.1636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6199    2.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199    3.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3207    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  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> (1,033)
1033

>  <Formula> (1,033)
C25H23FN8O2S2

>  <MolWeight> (1,033)
550.6309232

>  <Cat> (1,033)
S7564

>  <Name> (1,033)
SAR125844

>  <Synonyms> (1,033)
N/A

>  <Target> (1,033)
c-Met

>  <Form> (1,033)
free base

>  <CAS> (1,033)
1116743-46-4

>  <URL> (1,033)
http://www.selleck.cn/products/sar125844.html

$$$$

csChFnd80/09132309312D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
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1038

>  <Formula> (1,038)
C18H11F3N2O

>  <MolWeight> (1,038)
328.2879496

>  <Cat> (1,038)
S8807

>  <Name> (1,038)
PFK158

>  <Synonyms> (1,038)
N/A

>  <Target> (1,038)
Autophagy

>  <Form> (1,038)
free base

>  <CAS> (1,038)
1462249-75-7

>  <URL> (1,038)
http://www.selleck.cn/products/pfk158.html

$$$$

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>  <Mol_ID> (1,039)
1039

>  <Formula> (1,039)
C27H24F3N5O2

>  <MolWeight> (1,039)
507.5069696

>  <Cat> (1,039)
S8810

>  <Name> (1,039)
SPHINX31

>  <Synonyms> (1,039)
N/A

>  <Target> (1,039)
Serine/threonin kina

>  <Form> (1,039)
free base

>  <CAS> (1,039)
1818389-84-2

>  <URL> (1,039)
http://www.selleck.cn/products/sphinx31.html

$$$$

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M  END
>  <Mol_ID> (1,040)
1040

>  <Formula> (1,040)
C52H54N4O12

>  <MolWeight> (1,040)
927.00476

>  <Cat> (1,040)
S6201

>  <Name> (1,040)
Malachite green

>  <Synonyms> (1,040)
Aniline green, Basic green 4, Diamond green B, Victoria green B

>  <Target> (1,040)
Others

>  <Form> (1,040)
free base

>  <CAS> (1,040)
2437-29-8

>  <URL> (1,040)
http://www.selleck.cn/products/malachite-green.html

$$$$

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M  END
>  <Mol_ID> (1,041)
1041

>  <Formula> (1,041)
C21H19ClNO4+

>  <MolWeight> (1,041)
384.83286

>  <Cat> (1,041)
S1292

>  <Name> (1,041)
Chelerythrine Chloride

>  <Synonyms> (1,041)
N/A

>  <Target> (1,041)
PKC

>  <Form> (1,041)
Chloride

>  <CAS> (1,041)
3895-92-9

>  <URL> (1,041)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/09132309312D

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1042

>  <Formula> (1,042)
C26H31Cl2N7O3

>  <MolWeight> (1,042)
560.47544

>  <Cat> (1,042)
S2183

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BGJ398 (NVP-BGJ398|Infigratinib)

>  <Synonyms> (1,042)
N/A

>  <Target> (1,042)
FGFR

>  <Form> (1,042)
Free Base

>  <CAS> (1,042)
872511-34-7

>  <URL> (1,042)
http://www.selleck.cn/products/bgj398-nvp-bgj398.html

$$$$

csChFnd80/09132309312D

 28 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,043)
1043

>  <Formula> (1,043)
C18H21F2N7O

>  <MolWeight> (1,043)
389.4024464

>  <Cat> (1,043)
S8804

>  <Name> (1,043)
PF-06700841

>  <Synonyms> (1,043)
PF-841

>  <Target> (1,043)
JAK

>  <Form> (1,043)
Free Base

>  <CAS> (1,043)
1883299-62-4

>  <URL> (1,043)
http://www.selleck.cn/products/pf-06700841.html

$$$$

csChFnd80/09132309312D

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1044

>  <Formula> (1,044)
C30H35N7O2

>  <MolWeight> (1,044)
525.6446

>  <Cat> (1,044)
S8817

>  <Name> (1,044)
HS-10296

>  <Synonyms> (1,044)
N/A

>  <Target> (1,044)
EGFR

>  <Form> (1,044)
Free Base

>  <CAS> (1,044)
1899921-05-1

>  <URL> (1,044)
http://www.selleck.cn/products/hs-10296.html

$$$$

csChFnd80/09132309312D

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1627856-64-7

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CDK

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1609522-33-9

>  <URL> (1,046)
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NF-¦ÊB

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Free Base

>  <CAS> (1,047)
518-17-2

>  <URL> (1,047)
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1300031-49-5

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 25 19  2  0  0  0  0
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 29 30  1  0  0  0  0
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 31 29  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Mol_ID> (1,054)
1054

>  <Formula> (1,054)
C23H18N6O2

>  <MolWeight> (1,054)
410.42802

>  <Cat> (1,054)
S7137

>  <Name> (1,054)
GLPG0634 analogue

>  <Synonyms> (1,054)
N/A

>  <Target> (1,054)
JAK

>  <Form> (1,054)
Free Base

>  <CAS> (1,054)
1206101-20-3

>  <URL> (1,054)
http://www.selleck.cn/products/glpg0634.html

$$$$

csChFnd80/09132309312D

 40 44  0  0  0  0  0  0  0  0999 V2000
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   12.1244    8.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    1.2124    0.0000 P   0  0  0  0  0  0  0  0  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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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  7  1  0  0  0  0
 27 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
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 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
 24 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (1,055)
1055

>  <Formula> (1,055)
C29H39ClN7O2P

>  <MolWeight> (1,055)
584.092421

>  <Cat> (1,055)
S8229

>  <Name> (1,055)
Brigatinib (AP26113)

>  <Synonyms> (1,055)
N/A

>  <Target> (1,055)
ALK

>  <Form> (1,055)
Free Base

>  <CAS> (1,055)
1197953-54-0

>  <URL> (1,055)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/09132309312D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    9.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 23 25  1  0  0  0  0
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M  END
>  <Mol_ID> (1,056)
1056

>  <Formula> (1,056)
C19H18N4O3

>  <MolWeight> (1,056)
350.37122

>  <Cat> (1,056)
S8684

>  <Name> (1,056)
Selective JAK3 inhibitor 1

>  <Synonyms> (1,056)
N/A

>  <Target> (1,056)
JAK

>  <Form> (1,056)
Free Base

>  <CAS> (1,056)
1443235-95-7

>  <URL> (1,056)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/09132309312D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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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
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 22  7  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
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 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
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 31 26  1  0  0  0  0
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M  END
>  <Mol_ID> (1,057)
1057

>  <Formula> (1,057)
C23H20FN7O

>  <MolWeight> (1,057)
429.4496032

>  <Cat> (1,057)
S8693

>  <Name> (1,057)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (1,057)
N/A

>  <Target> (1,057)
PI3K

>  <Form> (1,057)
Free Base

>  <CAS> (1,057)
2088525-31-7

>  <URL> (1,057)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/09132309312D

 50 56  0  0  0  0  0  0  0  0999 V2000
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   16.9606    7.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5979    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Name> (1,061)
Zanubrutinib (BGB-3111)

>  <Synonyms> (1,061)
N/A

>  <Target> (1,061)
BTK

>  <Form> (1,061)
Free Base

>  <CAS> (1,061)
1691249-45-2

>  <URL> (1,061)
http://www.selleck.cn/products/zanubrutini-bgb-3111.html

$$$$

csChFnd80/09132309312D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 26 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,062)
1062

>  <Formula> (1,062)
C22H16F4N4OS

>  <MolWeight> (1,062)
460.4472528

>  <Cat> (1,062)
S8793

>  <Name> (1,062)
ULK-101

>  <Synonyms> (1,062)
N/A

>  <Target> (1,062)
Autophagy

>  <Form> (1,062)
Free Base

>  <CAS> (1,062)
no cas

>  <URL> (1,062)
http://www.selleck.cn/products/ulk-101.html

$$$$

csChFnd80/09132309312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,063)
1063

>  <Formula> (1,063)
C14H14ClFN8

>  <MolWeight> (1,063)
348.7659632

>  <Cat> (1,063)
S2162

>  <Name> (1,063)
AZD1480

>  <Synonyms> (1,063)
N/A

>  <Target> (1,063)
JAK

>  <Form> (1,063)
free base

>  <CAS> (1,063)
935666-88-9

>  <URL> (1,063)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/09132309312D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,064)
1064

>  <Formula> (1,064)
C26H21F3N4O4

>  <MolWeight> (1,064)
510.4645496

>  <Cat> (1,064)
S6412

>  <Name> (1,064)
Altiratinib

>  <Synonyms> (1,064)
DCC-2701

>  <Target> (1,064)
Trk receptor

>  <Form> (1,064)
free base

>  <CAS> (1,064)
1345847-93-9

>  <URL> (1,064)
http://www.selleck.cn/products/altiratinib.html

$$$$

csChFnd80/09132309312D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,065)
1065

>  <Formula> (1,065)
C12H12O2

>  <MolWeight> (1,065)
188.22248

>  <Cat> (1,065)
S6493

>  <Name> (1,065)
n-Butylidenephthalide

>  <Synonyms> (1,065)
N/A

>  <Target> (1,065)
Others

>  <Form> (1,065)
free base

>  <CAS> (1,065)
551-08-6

>  <URL> (1,065)
http://www.selleck.cn/products/n-butylidenephthalide.html

$$$$

csChFnd80/09132309312D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,066)
1066

>  <Formula> (1,066)
C9H5ClN4

>  <MolWeight> (1,066)
204.6158

>  <Cat> (1,066)
S6494

>  <Name> (1,066)
CCCP

>  <Synonyms> (1,066)
Carbonyl cyanide m-chlorophenyl hydrazone

>  <Target> (1,066)
Others

>  <Form> (1,066)
free base

>  <CAS> (1,066)
555-60-2

>  <URL> (1,066)
http://www.selleck.cn/products/cccp.html

$$$$

csChFnd80/09132309312D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  3  7  2  0  0  0  0
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  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,067)
1067

>  <Formula> (1,067)
C8H7BrO3

>  <MolWeight> (1,067)
231.04338

>  <Cat> (1,067)
S6495

>  <Name> (1,067)
6-Bromo-2-hydroxy-3-methoxybenzaldehyde

>  <Synonyms> (1,067)
N/A

>  <Target> (1,067)
Others

>  <Form> (1,067)
free base

>  <CAS> (1,067)
20035-41-0

>  <URL> (1,067)
http://www.selleck.cn/products/6-bromo-2-hydroxy-3-methoxybenzaldehyde.html

$$$$

csChFnd80/09132309312D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,068)
1068

>  <Formula> (1,068)
C24H38N2O4

>  <MolWeight> (1,068)
418.56952

>  <Cat> (1,068)
S6496

>  <Name> (1,068)
Genz-123346 free base

>  <Synonyms> (1,068)
N/A

>  <Target> (1,068)
Others

>  <Form> (1,068)
free base

>  <CAS> (1,068)
491833-30-8

>  <URL> (1,068)
http://www.selleck.cn/products/genz-123346-free-base.html

$$$$

csChFnd80/09132309312D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (1,069)
1069

>  <Formula> (1,069)
C13H13NO3S

>  <MolWeight> (1,069)
263.31222

>  <Cat> (1,069)
S6497

>  <Name> (1,069)
SMI-16a

>  <Synonyms> (1,069)
N/A

>  <Target> (1,069)
Pim

>  <Form> (1,069)
free base

>  <CAS> (1,069)
587852-28-6

>  <URL> (1,069)
http://www.selleck.cn/products/smi-16a.html

$$$$

csChFnd80/09132309312D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,070)
1070

>  <Formula> (1,070)
C19H14F3N3O3

>  <MolWeight> (1,070)
389.3279696

>  <Cat> (1,070)
S6498

>  <Name> (1,070)
T56-LIMKi

>  <Synonyms> (1,070)
N/A

>  <Target> (1,070)
Others

>  <Form> (1,070)
free base

>  <CAS> (1,070)
924473-59-6

>  <URL> (1,070)
http://www.selleck.cn/products/t56-limki.html

$$$$

csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,071)
1071

>  <Formula> (1,071)
C16H13ClN4

>  <MolWeight> (1,071)
296.75422

>  <Cat> (1,071)
S6499

>  <Name> (1,071)
PF-6260933

>  <Synonyms> (1,071)
N/A

>  <Target> (1,071)
Serine/threonin kina

>  <Form> (1,071)
free base

>  <CAS> (1,071)
1811510-56-1

>  <URL> (1,071)
http://www.selleck.cn/products/pf-6260933.html

$$$$

csChFnd80/09132309312D

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    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
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
 12  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 16  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
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 19 11  1  0  0  0  0
 13 17  1  0  0  0  0
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 20 16  2  0  0  0  0
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 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,076)
1076

>  <Formula> (1,076)
C16H15N3O2

>  <MolWeight> (1,076)
281.3092

>  <Cat> (1,076)
S6506

>  <Name> (1,076)
Compound 401

>  <Synonyms> (1,076)
N/A

>  <Target> (1,076)
DNA-PK

>  <Form> (1,076)
free base

>  <CAS> (1,076)
168425-64-7

>  <URL> (1,076)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/09132309312D

 36 37  0  0  0  0  0  0  0  0999 V2000
   12.7627    1.9478    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3627    1.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7627    3.3478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1627    1.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    2.4249    2.8000    0.0000 S   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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   13.3368    7.7000    0.0000 Cl  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
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
  6 12  1  0  0  0  0
 16 17  1  0  0  0  0
  9 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  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 35  1  0  0  0  0
 30 35  2  0  0  0  0
 33 36  1  0  0  0  0
 29 30  1  0  0  0  0
 25 27  1  0  0  0  0
 24 25  1  0  0  0  0
 19 24  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,077)
1077

>  <Formula> (1,077)
C24H28ClN2O7PS

>  <MolWeight> (1,077)
554.980081

>  <Cat> (1,077)
S6507

>  <Name> (1,077)
KN-92 phosphate

>  <Synonyms> (1,077)
N/A

>  <Target> (1,077)
Others

>  <Form> (1,077)
phosphate

>  <CAS> (1,077)
1135280-28-2

>  <URL> (1,077)
http://www.selleck.cn/products/kn-92-phosphate.html

$$$$

csChFnd80/09132309312D

 32 36  0  0  0  0  0  0  0  0999 V2000
   15.9492    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2244    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    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
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  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  9 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 21 22  2  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
 23 28  1  0  0  0  0
 21 23  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 32  1  0  0  0  0
 29 30  1  0  0  0  0
 26 29  1  0  0  0  0
 18 21  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,078)
1078

>  <Formula> (1,078)
C24H26N4O3S

>  <MolWeight> (1,078)
450.55324

>  <Cat> (1,078)
S6508

>  <Name> (1,078)
Mitapivat

>  <Synonyms> (1,078)
AG-348

>  <Target> (1,078)
PKM

>  <Form> (1,078)
free base

>  <CAS> (1,078)
1260075-17-9

>  <URL> (1,078)
http://www.selleck.cn/products/mitapivat.html

$$$$

csChFnd80/09132309312D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.4993    2.8063    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  5  2  0  0  0  0
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  4  7  2  0  0  0  0
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  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
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 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,079)
1079

>  <Formula> (1,079)
C16H12N2O3

>  <MolWeight> (1,079)
280.27808

>  <Cat> (1,079)
S6509

>  <Name> (1,079)
AG 494

>  <Synonyms> (1,079)
N/A

>  <Target> (1,079)
EGFR

>  <Form> (1,079)
free base

>  <CAS> (1,079)
133550-35-3

>  <URL> (1,079)
http://www.selleck.cn/products/ag-494.html

$$$$

csChFnd80/09132309312D

 22 22  0  0  0  0  0  0  0  0999 V2000
   10.0012    2.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0012    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7852    2.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2141    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7852    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5628    2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  1  0  0  0  0
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 15 17  1  0  0  0  0
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 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,080)
1080

>  <Formula> (1,080)
C14H19Cl2N3O2S

>  <MolWeight> (1,080)
364.29056

>  <Cat> (1,080)
S6510

>  <Name> (1,080)
Iso-H7 dihydrochloride

>  <Synonyms> (1,080)
N/A

>  <Target> (1,080)
Phosphorylase

>  <Form> (1,080)
dihydrochloride

>  <CAS> (1,080)
140663-38-3

>  <URL> (1,080)
http://www.selleck.cn/products/iso-h7-dihydrochloride.html

$$$$

csChFnd80/09132309312D

 16 16  0  0  0  0  0  0  0  0999 V2000
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1104874-94-3

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ALK

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1356962-34-9

>  <URL> (1,083)
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1104

>  <Formula> (1,104)
C28H28F3N5O4

>  <MolWeight> (1,104)
555.5482296

>  <Cat> (1,104)
S6545

>  <Name> (1,104)
BI-4464

>  <Synonyms> (1,104)
N/A

>  <Target> (1,104)
FAK

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free base

>  <CAS> (1,104)
1227948-02-8

>  <URL> (1,104)
http://www.selleck.cn/products/bi-4464.html

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csChFnd80/09132309312D

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1105

>  <Formula> (1,105)
C22H20N2O3

>  <MolWeight> (1,105)
360.4058

>  <Cat> (1,105)
S6554

>  <Name> (1,105)
ML365

>  <Synonyms> (1,105)
N/A

>  <Target> (1,105)
Potassium Channel

>  <Form> (1,105)
free base

>  <CAS> (1,105)
947914-18-3

>  <URL> (1,105)
http://www.selleck.cn/products/ml365.html

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csChFnd80/09132309312D

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>  <Mol_ID> (1,106)
1106

>  <Formula> (1,106)
C22H19N3O3

>  <MolWeight> (1,106)
373.40456

>  <Cat> (1,106)
S6567

>  <Name> (1,106)
Src Inhibitor 1

>  <Synonyms> (1,106)
N/A

>  <Target> (1,106)
Src

>  <Form> (1,106)
free base

>  <CAS> (1,106)
179248-59-0

>  <URL> (1,106)
http://www.selleck.cn/products/src-inhibitor-1.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,107)
1107

>  <Formula> (1,107)
C19H20N4O3

>  <MolWeight> (1,107)
352.3871

>  <Cat> (1,107)
S6571

>  <Name> (1,107)
BQR695

>  <Synonyms> (1,107)
NVP-BQR695

>  <Target> (1,107)
PI4K

>  <Form> (1,107)
free base

>  <CAS> (1,107)
1513879-21-4

>  <URL> (1,107)
http://www.selleck.cn/products/bqr695.html

$$$$

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M  END
>  <Mol_ID> (1,108)
1108

>  <Formula> (1,108)
C22H18ClN5O2

>  <MolWeight> (1,108)
419.86362

>  <Cat> (1,108)
S6574

>  <Name> (1,108)
KDU691

>  <Synonyms> (1,108)
N/A

>  <Target> (1,108)
PI4K

>  <Form> (1,108)
free base

>  <CAS> (1,108)
1513879-19-0

>  <URL> (1,108)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/09132309312D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,109)
1109

>  <Formula> (1,109)
C20H25F3N6O3

>  <MolWeight> (1,109)
454.4461096

>  <Cat> (1,109)
S6577

>  <Name> (1,109)
PKC-theta inhibitor

>  <Synonyms> (1,109)
N/A

>  <Target> (1,109)
PKC

>  <Form> (1,109)
free base

>  <CAS> (1,109)
736048-65-0

>  <URL> (1,109)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/09132309312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,110)
1110

>  <Formula> (1,110)
C16H16F3N5

>  <MolWeight> (1,110)
335.3269496

>  <Cat> (1,110)
S6578

>  <Name> (1,110)
Longdaysin

>  <Synonyms> (1,110)
N/A

>  <Target> (1,110)
Casein Kinase

>  <Form> (1,110)
free base

>  <CAS> (1,110)
1353867-91-0

>  <URL> (1,110)
http://www.selleck.cn/products/longdaysin.html

$$$$

csChFnd80/09132309312D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,111)
1111

>  <Formula> (1,111)
C21H17N9O2S

>  <MolWeight> (1,111)
459.48378

>  <Cat> (1,111)
S8676

>  <Name> (1,111)
Glumetinib

>  <Synonyms> (1,111)
N/A

>  <Target> (1,111)
c-Met

>  <Form> (1,111)
free base

>  <CAS> (1,111)
1642581-63-2

>  <URL> (1,111)
http://www.selleck.cn/products/glumetinib.html

$$$$

csChFnd80/09132309312D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,112)
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>  <Formula> (1,112)
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>  <MolWeight> (1,112)
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>  <Cat> (1,112)
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BAY-293

>  <Synonyms> (1,112)
N/A

>  <Target> (1,112)
Rho

>  <Form> (1,112)
free base

>  <CAS> (1,112)
2244904-70-7

>  <URL> (1,112)
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c-Met

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free base

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943540-74-7

>  <URL> (1,113)
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>  <Cat> (1,114)
S8864

>  <Name> (1,114)
ZT-12-037-01

>  <Synonyms> (1,114)
N/A

>  <Target> (1,114)
Serine/threonin kina

>  <Form> (1,114)
free base

>  <CAS> (1,114)
2328073-61-4

>  <URL> (1,114)
http://www.selleck.cn/products/zt-12-037-01.html

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>  <Name> (1,115)
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>  <Synonyms> (1,115)
N/A

>  <Target> (1,115)
JNK

>  <Form> (1,115)
free base

>  <CAS> (1,115)
848344-36-5

>  <URL> (1,115)
http://www.selleck.cn/products/bentamapimod.html

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>  <Target> (1,116)
Serine/threonin kina

>  <Form> (1,116)
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>  <CAS> (1,116)
2361659-62-1

>  <URL> (1,116)
http://www.selleck.cn/products/gsk8612.html

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S8568

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G1T38

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Lerociclib

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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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1118

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C26H29Cl4FN6O3

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S2934

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Ensartinib (X-396) dihydrochloride

>  <Synonyms> (1,118)
N/A

>  <Target> (1,118)
ALK

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Dihydrochloride

>  <CAS> (1,118)
2137030-98-7

>  <URL> (1,118)
http://www.selleck.cn/products/ensartinib-dihydrochloride.html

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csChFnd80/09132309312D

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1119

>  <Formula> (1,119)
C21H16F3N3O3

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415.3652496

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S6526

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SKLB 610

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N/A

>  <Target> (1,119)
VEGFR

>  <Form> (1,119)
Free Base

>  <CAS> (1,119)
1125780-41-7

>  <URL> (1,119)
http://www.selleck.cn/products/sklb610.html

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csChFnd80/09132309312D

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1120

>  <Formula> (1,120)
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>  <Cat> (1,120)
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N/A

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>  <Form> (1,120)
Free Base

>  <CAS> (1,120)
229476-53-3

>  <URL> (1,120)
http://www.selleck.cn/products/ebe-a22.html

$$$$

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1191911-27-9

>  <URL> (1,122)
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108237-91-8

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1702809-17-3

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>  <Formula> (1,130)
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S6619

>  <Name> (1,130)
ABT 702 dihydrochloride

>  <Synonyms> (1,130)
N/A

>  <Target> (1,130)
Adenosine Receptor

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>  <CAS> (1,130)
1188890-28-9

>  <URL> (1,130)
http://www.selleck.cn/products/abt-702-dihydrochloride.html

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csChFnd80/09132309312D

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1131

>  <Formula> (1,131)
C17H16N8

>  <MolWeight> (1,131)
332.36254

>  <Cat> (1,131)
S6623

>  <Name> (1,131)
APY29

>  <Synonyms> (1,131)
N/A

>  <Target> (1,131)
IRE1

>  <Form> (1,131)
Free Base

>  <CAS> (1,131)
1216665-49-4

>  <URL> (1,131)
http://www.selleck.cn/products/apy29.html

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1132

>  <Formula> (1,132)
C18H13ClF2N6O

>  <MolWeight> (1,132)
402.7852264

>  <Cat> (1,132)
S6636

>  <Name> (1,132)
Azaindole 1 (TC-S 7001)

>  <Synonyms> (1,132)
N/A

>  <Target> (1,132)
ROCK

>  <Form> (1,132)
Free Base

>  <CAS> (1,132)
867017-68-3

>  <URL> (1,132)
http://www.selleck.cn/products/azaindole-1.html

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>  <Mol_ID> (1,133)
1133

>  <Formula> (1,133)
C18H17BrN2O3

>  <MolWeight> (1,133)
389.24318

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S6710

>  <Name> (1,133)
SGC-GAK-1

>  <Synonyms> (1,133)
N/A

>  <Target> (1,133)
CDK

>  <Form> (1,133)
Free Base

>  <CAS> (1,133)
2226517-76-4

>  <URL> (1,133)
http://www.selleck.cn/products/sgc-gak-1.html

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csChFnd80/09132309312D

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IQ-1S

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JNK

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Free Base

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23146-22-7

>  <URL> (1,134)
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M  END
>  <Mol_ID> (1,139)
1139

>  <Formula> (1,139)
C21H23ClFNO2

>  <MolWeight> (1,139)
375.8642232

>  <Cat> (1,139)
S6727

>  <Name> (1,139)
AX-024 HCl

>  <Synonyms> (1,139)
N/A

>  <Target> (1,139)
CDK

>  <Form> (1,139)
Hydrochloride

>  <CAS> (1,139)
1704801-24-0

>  <URL> (1,139)
http://www.selleck.cn/products/ax-024-hcl.html

$$$$

csChFnd80/09132309312D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 30 28  1  0  0  0  0
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 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,140)
1140

>  <Formula> (1,140)
C22H25ClN6O

>  <MolWeight> (1,140)
424.9265

>  <Cat> (1,140)
S6730

>  <Name> (1,140)
CC-401 Hydrochloride

>  <Synonyms> (1,140)
N/A

>  <Target> (1,140)
JNK

>  <Form> (1,140)
Hydrochloride

>  <CAS> (1,140)
1438391-30-0

>  <URL> (1,140)
http://www.selleck.cn/products/cc-401-hydrochloride.html

$$$$

csChFnd80/09132309312D

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  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
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M  END
>  <Mol_ID> (1,141)
1141

>  <Formula> (1,141)
C19H22Cl2FN5

>  <MolWeight> (1,141)
410.3158832

>  <Cat> (1,141)
S6734

>  <Name> (1,141)
PF-670462

>  <Synonyms> (1,141)
N/A

>  <Target> (1,141)
Casein Kinase

>  <Form> (1,141)
Free Base

>  <CAS> (1,141)
950912-80-8

>  <URL> (1,141)
http://www.selleck.cn/products/pf-670462.html

$$$$

csChFnd80/09132309312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,142)
1142

>  <Formula> (1,142)
C17H15N5O2

>  <MolWeight> (1,142)
321.3333

>  <Cat> (1,142)
S6740

>  <Name> (1,142)
DB07268

>  <Synonyms> (1,142)
N/A

>  <Target> (1,142)
JNK

>  <Form> (1,142)
Free Base

>  <CAS> (1,142)
929007-72-7

>  <URL> (1,142)
http://www.selleck.cn/products/db07268.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,143)
1143

>  <Formula> (1,143)
C16H17N3O2

>  <MolWeight> (1,143)
283.32508

>  <Cat> (1,143)
S6751

>  <Name> (1,143)
Brevianamide F

>  <Synonyms> (1,143)
N/A

>  <Target> (1,143)
Others

>  <Form> (1,143)
Free Base

>  <CAS> (1,143)
38136-70-8

>  <URL> (1,143)
http://www.selleck.cn/products/brevianamide-f.html

$$$$

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>  <CAS> (1,149)
1448169-71-8

>  <URL> (1,149)
http://www.selleck.cn/products/tas-120.html

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    8.9546    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1629    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3711    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5793    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3711    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  1  0  0  0
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 23 24  1  0  0  0  0
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 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (1,155)
1155

>  <Formula> (1,155)
C29H34FN5O5

>  <MolWeight> (1,155)
551.6091632

>  <Cat> (1,155)
S8901

>  <Name> (1,155)
DS-6051b

>  <Synonyms> (1,155)
N/A

>  <Target> (1,155)
ROS

>  <Form> (1,155)
Free Base

>  <CAS> (1,155)
1505515-69-4

>  <URL> (1,155)
http://www.selleck.cn/products/ds-6051b.html

$$$$

csChFnd80/09132309312D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.8918    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4668    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    9.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    6.9883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    4.8953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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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    8.4707    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 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> (1,156)
1156

>  <Formula> (1,156)
C21H25N3O4

>  <MolWeight> (1,156)
383.4409

>  <Cat> (1,156)
S2184

>  <Name> (1,156)
WDR5-0103

>  <Synonyms> (1,156)
WD-Repeat Protein 5-0103

>  <Target> (1,156)
Histone Methyltransferase

>  <Form> (1,156)
Free Base

>  <CAS> (1,156)
890190-22-4

>  <URL> (1,156)
http://www.selleck.cn/products/wdr5-0103.html

$$$$

csChFnd80/09132309312D

 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
    4.8498    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    1.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (1,157)
1157

>  <Formula> (1,157)
C18H37NO2

>  <MolWeight> (1,157)
299.49188

>  <Cat> (1,157)
S2210

>  <Name> (1,157)
Sphingosine

>  <Synonyms> (1,157)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (1,157)
Others

>  <Form> (1,157)
Free Base

>  <CAS> (1,157)
123-78-4

>  <URL> (1,157)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/09132309312D

 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
    5.7752    7.2467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.1548    5.0104    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0792    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.2268    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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  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
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 13 11  1  6  0  0  0
 10 11  1  0  0  0  0
 17 18  1  0  0  0  0
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 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
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 26 27  2  0  0  0  0
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 23 28  2  0  0  0  0
  8 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,158)
1158

>  <Formula> (1,158)
C23H21N3O2

>  <MolWeight> (1,158)
371.43174

>  <Cat> (1,158)
S2212

>  <Name> (1,158)
AIM-100

>  <Synonyms> (1,158)
N/A

>  <Target> (1,158)
ACK

>  <Form> (1,158)
Free Base

>  <CAS> (1,158)
873305-35-2

>  <URL> (1,158)
http://www.selleck.cn/products/aim-100.html

$$$$

csChFnd80/09132309312D

 37 41  0  0  0  0  0  0  0  0999 V2000
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    2.4248    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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Casein Kinase

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1188296-52-7

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VEGFR

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Free Base

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15966-93-5

>  <URL> (1,161)
http://www.selleck.cn/products/su5408.html

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1464151-33-4

>  <URL> (1,162)
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1191385-19-9

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http://www.selleck.cn/products/b-raf-inhibitor-1-dihydrochlorid.html

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M  END
>  <Mol_ID> (1,168)
1168

>  <Formula> (1,168)
C26H21F2N5O2S

>  <MolWeight> (1,168)
505.5390464

>  <Cat> (1,168)
S8882

>  <Name> (1,168)
ODM-203

>  <Synonyms> (1,168)
N/A

>  <Target> (1,168)
FGFR

>  <Form> (1,168)
Free Base

>  <CAS> (1,168)
1430723-35-5

>  <URL> (1,168)
http://www.selleck.cn/products/odm-203.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,169)
1169

>  <Formula> (1,169)
C21H23N4O7PS2

>  <MolWeight> (1,169)
538.533681

>  <Cat> (1,169)
S8927

>  <Name> (1,169)
GSK2983559 (compound 3)

>  <Synonyms> (1,169)
RIP2 kinase inhibitor 1,RIPK2-IN-1

>  <Target> (1,169)
RIP

>  <Form> (1,169)
Free Base

>  <CAS> (1,169)
1579965-12-0

>  <URL> (1,169)
http://www.selleck.cn/products/gsk2983559-compound-3.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,170)
1170

>  <Formula> (1,170)
C33H40O18

>  <MolWeight> (1,170)
724.6599

>  <Cat> (1,170)
S9096

>  <Name> (1,170)
ligustroflavone

>  <Synonyms> (1,170)
Nuezhenoside

>  <Target> (1,170)
AMPK

>  <Form> (1,170)
Free Base

>  <CAS> (1,170)
260413-62-5

>  <URL> (1,170)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/09132309312D

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C42H66O14

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Chikusetsusaponin Iva

>  <Synonyms> (1,171)
Calenduloside F

>  <Target> (1,171)
Immunology & Inflammation related

>  <Form> (1,171)
Free Base

>  <CAS> (1,171)
51415-02-2

>  <URL> (1,171)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

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C42H72O13

>  <MolWeight> (1,172)
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>  <Cat> (1,172)
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>  <Name> (1,172)
(20S)Ginsenoside Rg2

>  <Synonyms> (1,172)
N/A

>  <Target> (1,172)
Others

>  <Form> (1,172)
Free Base

>  <CAS> (1,172)
52286-74-5

>  <URL> (1,172)
http://www.selleck.cn/products/20s-ginsenoside-rg2.html

$$$$

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M  END
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1173

>  <Formula> (1,173)
C45H73NO15

>  <MolWeight> (1,173)
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>  <Cat> (1,173)
S9145

>  <Name> (1,173)
Solamargine

>  <Synonyms> (1,173)
N/A

>  <Target> (1,173)
P-gp

>  <Form> (1,173)
Free Base

>  <CAS> (1,173)
20311-51-7

>  <URL> (1,173)
http://www.selleck.cn/products/solamargine.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,174)
1174

>  <Formula> (1,174)
C32H42O16

>  <MolWeight> (1,174)
682.66628

>  <Cat> (1,174)
S9215

>  <Name> (1,174)
Pinoresinol diglucoside

>  <Synonyms> (1,174)
N/A

>  <Target> (1,174)
Others

>  <Form> (1,174)
Free Base

>  <CAS> (1,174)
63902-38-5

>  <URL> (1,174)
http://www.selleck.cn/products/pinoresinol-diglucoside.html

$$$$

csChFnd80/09132309312D

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882663-88-9

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N/A

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PDK

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Free Base

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31842-01-0

>  <URL> (1,176)
http://www.selleck.cn/products/indoprofen.html

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C21H20Cl2N10O

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S8894

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N/A

>  <Target> (1,177)
CDK

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>  <CAS> (1,177)
2387704-62-1

>  <URL> (1,177)
http://www.selleckchem.com/products/sr-4835.html

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csChFnd80/09132309312D

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CDK

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>  <CAS> (1,178)
2241300-51-4

>  <URL> (1,178)
http://www.selleckchem.com/products/as2863619.html

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>  <Target> (1,179)
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>  <CAS> (1,179)
1893397-65-3

>  <URL> (1,179)
http://www.selleckchem.com/products/tbk1-IKKe-in-1-compound1.html

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AMPK

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1640294-30-9

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221243-82-9

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152121-53-4

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1784751-19-4

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VEGFR

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3476-86-6

>  <URL> (1,192)
http://www.selleckchem.com/products/su-5205.html

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EGFR

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186611-04-1

>  <URL> (1,193)
http://www.selleckchem.com/products/su-5214.html

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PROTAC

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no cas

>  <URL> (1,195)
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C26H27N3O2

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N/A

>  <Target> (1,196)
PCSK9

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Free Base

>  <CAS> (1,196)
1629166-02-4

>  <URL> (1,196)
http://www.selleckchem.com/products/sbc-1107326.html

$$$$

csChFnd80/09132309312D

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>  <MolWeight> (1,197)
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>  <Cat> (1,197)
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>  <Synonyms> (1,197)
N/A

>  <Target> (1,197)
EGFR

>  <Form> (1,197)
Free Base

>  <CAS> (1,197)
879127-07-8

>  <URL> (1,197)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/09132309312D

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1198

>  <Formula> (1,198)
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>  <Name> (1,198)
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>  <Synonyms> (1,198)
N/A

>  <Target> (1,198)
JAK

>  <Form> (1,198)
Free Base

>  <CAS> (1,198)
936091-56-4

>  <URL> (1,198)
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>  <Mol_ID> (1,199)
1199

>  <Formula> (1,199)
C24H28N6O3S

>  <MolWeight> (1,199)
480.58252

>  <Cat> (1,199)
S0487

>  <Name> (1,199)
Sulfatinib

>  <Synonyms> (1,199)
HMPL-012, Sufatinib, Surfatinib

>  <Target> (1,199)
CSF-1R

>  <Form> (1,199)
Free Base

>  <CAS> (1,199)
1308672-74-3

>  <URL> (1,199)
http://www.selleckchem.com/products/sulfatinib.html

$$$$

csChFnd80/09132309312D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 25 26  1  0  0  0  0
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 16 23  1  0  0  0  0
 10 18  1  0  0  0  0
  5 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,200)
1200

>  <Formula> (1,200)
C20H25ClN6O3

>  <MolWeight> (1,200)
432.9039

>  <Cat> (1,200)
S0500

>  <Name> (1,200)
Purvalanol B

>  <Synonyms> (1,200)
NG 95

>  <Target> (1,200)
CDK

>  <Form> (1,200)
Free Base

>  <CAS> (1,200)
212844-54-7

>  <URL> (1,200)
http://www.selleckchem.com/products/purvalanol-b-ng-95.html

$$$$

csChFnd80/09132309312D

 18 20  0  0  0  0  0  0  0  0999 V2000
   12.2792    1.2124    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,201)
1201

>  <Formula> (1,201)
C14H10BrNOS

>  <MolWeight> (1,201)
320.2043

>  <Cat> (1,201)
S0523

>  <Name> (1,201)
SB?4

>  <Synonyms> (1,201)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (1,201)
TGF-beta/Smad

>  <Form> (1,201)
Free Base

>  <CAS> (1,201)
100874-08-6

>  <URL> (1,201)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,202)
1202

>  <Formula> (1,202)
C18H11BrN2O2

>  <MolWeight> (1,202)
367.19614

>  <Cat> (1,202)
S1050

>  <Name> (1,202)
TCS PIM-1 1 

>  <Synonyms> (1,202)
SC 204330

>  <Target> (1,202)
Pim

>  <Form> (1,202)
Free Base

>  <CAS> (1,202)
491871-58-0

>  <URL> (1,202)
http://www.selleckchem.com/products/tcs-pim-1-1.html

$$$$

csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,203)
1203

>  <Formula> (1,203)
C18H14N2O3

>  <MolWeight> (1,203)
306.31536

>  <Cat> (1,203)
S6805

>  <Name> (1,203)
Tyrphostin AG-528

>  <Synonyms> (1,203)
Tyrphostin B66, AG 528

>  <Target> (1,203)
EGFR

>  <Form> (1,203)
Free Base

>  <CAS> (1,203)
133550-49-9

>  <URL> (1,203)
http://www.selleckchem.com/products/tyrphostin-ag-528.html

$$$$

csChFnd80/09132309312D

 30 32  0  0  0  0  0  0  0  0999 V2000
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N/A

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LIM kinase

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Free Base

>  <CAS> (1,204)
2244678-29-1

>  <URL> (1,204)
http://www.selleckchem.com/products/th-257.html

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C20H19ClN6O2

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S6837

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R-10015

>  <Synonyms> (1,205)
N/A

>  <Target> (1,205)
LIM kinase

>  <Form> (1,205)
Free Base

>  <CAS> (1,205)
2097938-51-5

>  <URL> (1,205)
http://www.selleckchem.com/products/r-10015.html

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csChFnd80/09132309312D

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C23H26FN5O3

>  <MolWeight> (1,206)
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>  <Name> (1,206)
Vorolanib

>  <Synonyms> (1,206)
CM082

>  <Target> (1,206)
VEGFR

>  <Form> (1,206)
Free Base

>  <CAS> (1,206)
1013920-15-4

>  <URL> (1,206)
http://www.selleckchem.com/products/vorolanib.html

$$$$

csChFnd80/09132309312D

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>  <Formula> (1,207)
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>  <Name> (1,207)
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>  <Synonyms> (1,207)
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>  <Target> (1,207)
CSF-1R

>  <Form> (1,207)
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>  <CAS> (1,207)
623142-96-1

>  <URL> (1,207)
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$$$$

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M  END
>  <Mol_ID> (1,208)
1208

>  <Formula> (1,208)
C25H19N5S

>  <MolWeight> (1,208)
421.51686

>  <Cat> (1,208)
S7692

>  <Name> (1,208)
A-83-01

>  <Synonyms> (1,208)
N/A

>  <Target> (1,208)
ALK

>  <Form> (1,208)
Free Base

>  <CAS> (1,208)
909910-43-6

>  <URL> (1,208)
http://www.selleckchem.com/products/a-83-01.html

$$$$

csChFnd80/09132309312D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,209)
1209

>  <Formula> (1,209)
C18H20N4O4

>  <MolWeight> (1,209)
356.3758

>  <Cat> (1,209)
S7794

>  <Name> (1,209)
JNK Inhibitor VIII

>  <Synonyms> (1,209)
TCS?JNK?6o

>  <Target> (1,209)
JNK

>  <Form> (1,209)
Free Base

>  <CAS> (1,209)
894804-07-0

>  <URL> (1,209)
http://www.selleckchem.com/products/jnk-inhibitor-viii.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,210)
1210

>  <Formula> (1,210)
C30H28O8

>  <MolWeight> (1,210)
516.53852

>  <Cat> (1,210)
S7862

>  <Name> (1,210)
Rottlerin

>  <Synonyms> (1,210)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (1,210)
PKC

>  <Form> (1,210)
Free Base

>  <CAS> (1,210)
82-08-6

>  <URL> (1,210)
http://www.selleckchem.com/products/rottlerin.html

$$$$

csChFnd80/09132309312D

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1927857-56-4

>  <URL> (1,212)
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2361493-16-3

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csChFnd80/09132309312D

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84783-01-7

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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

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1513857-77-6

>  <URL> (1,219)
http://www.selleckchem.com/products/pemigatinib-incb054828.html

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LIM kinase

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1338247-35-0

>  <URL> (1,220)
http://www.selleckchem.com/products/bms-5.html

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2306178-56-1

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1055412-47-9

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M  END
>  <Mol_ID> (1,227)
1227

>  <Formula> (1,227)
C14H10N4O3S

>  <MolWeight> (1,227)
314.3192

>  <Cat> (1,227)
S0458

>  <Name> (1,227)
KY1220

>  <Target> (1,227)
Wnt/beta-catenin

>  <Form> (1,227)
free base

>  <CAS> (1,227)
292168-79-7

>  <URL> (1,227)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/09132309312D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,228)
1228

>  <Formula> (1,228)
C19H11ClN3NaO2

>  <MolWeight> (1,228)
371.75231

>  <Cat> (1,228)
S0707

>  <Name> (1,228)
Silmitasertib sodium salt

>  <Target> (1,228)
Casein Kinase

>  <Form> (1,228)
sodium

>  <CAS> (1,228)
1309357-15-0

>  <URL> (1,228)
http://www.selleckchem.com/products/silmitasertib-sodium-salt.html

$$$$

csChFnd80/09132309312D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,229)
1229

>  <Formula> (1,229)
C23H40N2O3

>  <MolWeight> (1,229)
392.5753

>  <Cat> (1,229)
S0752

>  <Name> (1,229)
AUDA

>  <Target> (1,229)
Epoxide Hydrolase

>  <Form> (1,229)
free base

>  <CAS> (1,229)
479413-70-2

>  <URL> (1,229)
http://www.selleckchem.com/products/auda.html

$$$$

csChFnd80/09132309312D

 41 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,230)
1230

>  <Formula> (1,230)
C25H34N6O8S2

>  <MolWeight> (1,230)
610.70286

>  <Cat> (1,230)
S0785

>  <Name> (1,230)
Apilimod mesylate

>  <Target> (1,230)
Interleukins

>  <Form> (1,230)
mesylate

>  <CAS> (1,230)
870087-36-8

>  <URL> (1,230)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/09132309312D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,231)
1231

>  <Formula> (1,231)
C11H15ClN4O4

>  <MolWeight> (1,231)
302.7142

>  <Cat> (1,231)
S0787

>  <Name> (1,231)
3-Deazaadenosine hydrochloride

>  <Target> (1,231)
TNF-alpha

>  <Form> (1,231)
hydrochloride

>  <CAS> (1,231)
86583-19-9

>  <URL> (1,231)
http://www.selleckchem.com/products/3-deazaadenosine-hydrochloride.html

$$$$

csChFnd80/09132309312D

 35 37  0  0  0  0  0  0  0  0999 V2000
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>  <Cat> (1,236)
S3223

>  <Name> (1,236)
L-Quebrachitol

>  <Target> (1,236)
TGF-beta/Smad

>  <Form> (1,236)
free base

>  <CAS> (1,236)
642-38-6

>  <URL> (1,236)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,237)
1237

>  <Formula> (1,237)
C26H34O6

>  <MolWeight> (1,237)
442.54456

>  <Cat> (1,237)
S3224

>  <Name> (1,237)
Cinobufagin

>  <Target> (1,237)
ATM/ATR

>  <Form> (1,237)
free base

>  <CAS> (1,237)
470-37-1

>  <URL> (1,237)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/09132309312D

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  6  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,238)
1238

>  <Formula> (1,238)
C20H28O2

>  <MolWeight> (1,238)
300.43512

>  <Cat> (1,238)
S3226

>  <Name> (1,238)
Dehydroabietic acid

>  <Target> (1,238)
Anti-infection

>  <Form> (1,238)
free base

>  <CAS> (1,238)
1740-19-8

>  <URL> (1,238)
http://www.selleckchem.com/products/dehydroabietic-acid.html

$$$$

csChFnd80/09132309312D

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 24  2  1  1  0  0  0
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>  <Mol_ID> (1,239)
1239

>  <Formula> (1,239)
C24H32O4

>  <MolWeight> (1,239)
384.50848

>  <Cat> (1,239)
S3238

>  <Name> (1,239)
Resibufogenin

>  <Target> (1,239)
RIP kinase

>  <Form> (1,239)
free base

>  <CAS> (1,239)
465-39-4

>  <URL> (1,239)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/09132309312D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,240)
1240

>  <Formula> (1,240)
C17H18O4

>  <MolWeight> (1,240)
286.32242

>  <Cat> (1,240)
S3241

>  <Name> (1,240)
Loureirin A

>  <Target> (1,240)
Akt

>  <Form> (1,240)
free base

>  <CAS> (1,240)
119425-89-7

>  <URL> (1,240)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/09132309312D

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 16 11  1  0  0  0  0
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M  END
>  <Mol_ID> (1,241)
1241

>  <Formula> (1,241)
C18H20O5

>  <MolWeight> (1,241)
316.3484

>  <Cat> (1,241)
S3242

>  <Name> (1,241)
Loureirin B

>  <Target> (1,241)
PAI-1

>  <Form> (1,241)
free base

>  <CAS> (1,241)
119425-90-0

>  <URL> (1,241)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,242)
1242

>  <Formula> (1,242)
C27H30O15

>  <MolWeight> (1,242)
594.5181

>  <Cat> (1,242)
S3267

>  <Name> (1,242)
Kaempferol-3-O-rutinoside

>  <Target> (1,242)
Apoptosis related

>  <Form> (1,242)
free base

>  <CAS> (1,242)
17650-84-9

>  <URL> (1,242)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,243)
1243

>  <Formula> (1,243)
C30H16O8

>  <MolWeight> (1,243)
504.44324

>  <Cat> (1,243)
S3273

>  <Name> (1,243)
Hypericin

>  <Target> (1,243)
MAO

>  <Form> (1,243)
free base

>  <CAS> (1,243)
548-04-9

>  <URL> (1,243)
http://www.selleckchem.com/products/hypericin.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,244)
1244

>  <Formula> (1,244)
C12H16O4

>  <MolWeight> (1,244)
224.25304

>  <Cat> (1,244)
S3275

>  <Name> (1,244)
Senkyunolide I

>  <Target> (1,244)
ERK

>  <Form> (1,244)
free base

>  <CAS> (1,244)
94596-28-8

>  <URL> (1,244)
http://www.selleckchem.com/products/senkyunolide-i.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,245)
1245

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C27H30O15

>  <MolWeight> (1,245)
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>  <Cat> (1,245)
S3278

>  <Name> (1,245)
Kaempferol-3-O-neohesperidoside

>  <Target> (1,245)
Carbohydrate Metabol

>  <Form> (1,245)
free base

>  <CAS> (1,245)
32602-81-6

>  <URL> (1,245)
http://www.selleckchem.com/products/kaempferol-3-o-neohesperidoside.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,246)
1246

>  <Formula> (1,246)
C27H34O12

>  <MolWeight> (1,246)
550.55166

>  <Cat> (1,246)
S3284

>  <Name> (1,246)
Tracheloside

>  <Target> (1,246)
phosphatase

>  <Form> (1,246)
free base

>  <CAS> (1,246)
33464-71-0

>  <URL> (1,246)
http://www.selleckchem.com/products/tracheloside.html

$$$$

csChFnd80/09132309312D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,247)
1247

>  <Formula> (1,247)
C19H12O7

>  <MolWeight> (1,247)
352.29438

>  <Cat> (1,247)
S3289

>  <Name> (1,247)
Daphnoretin

>  <Target> (1,247)
PKC

>  <Form> (1,247)
free base

>  <CAS> (1,247)
2034-69-7

>  <URL> (1,247)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,248)
1248

>  <Formula> (1,248)
C17H24O2

>  <MolWeight> (1,248)
260.37126

>  <Cat> (1,248)
S3292

>  <Name> (1,248)
Falcarindiol

>  <Target> (1,248)
NOS

>  <Form> (1,248)
free base

>  <CAS> (1,248)
225110-25-8

>  <URL> (1,248)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,249)
1249

>  <Formula> (1,249)
C16H17NO3

>  <MolWeight> (1,249)
271.31108

>  <Cat> (1,249)
S3294

>  <Name> (1,249)
Demethyl-Coclaurine

>  <Target> (1,249)
Adrenergic Receptor

>  <Form> (1,249)
free base

>  <CAS> (1,249)
5843-65-2

>  <URL> (1,249)
http://www.selleckchem.com/products/demethyl-coclaurine.html

$$$$

csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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   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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  2  3  1  0  0  0  0
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  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 13  8  1  0  0  0  0
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 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,250)
1250

>  <Formula> (1,250)
C16H12O6

>  <MolWeight> (1,250)
300.26288

>  <Cat> (1,250)
S3296

>  <Name> (1,250)
Hispidulin

>  <Target> (1,250)
Pim

>  <Form> (1,250)
free base

>  <CAS> (1,250)
1447-88-7

>  <URL> (1,250)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/09132309312D

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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  1 12  1  0  0  0  0
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  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> (1,251)
1251

>  <Formula> (1,251)
C12H16N2O

>  <MolWeight> (1,251)
204.26824

>  <Cat> (1,251)
S3298

>  <Name> (1,251)
Caulophylline (N-Methylcytisine)

>  <Target> (1,251)
AChR

>  <Form> (1,251)
free base

>  <CAS> (1,251)
486-86-2 (63699-79-6, 207-643-8)

>  <URL> (1,251)
http://www.selleckchem.com/products/caulophylline-n-methylcytisine-.html

$$$$

csChFnd80/09132309312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 14  8  1  0  0  0  0
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 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
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  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,252)
1252

>  <Formula> (1,252)
C19H18NO4+

>  <MolWeight> (1,252)
324.35052

>  <Cat> (1,252)
S3299

>  <Name> (1,252)
Demethyleneberberine

>  <Target> (1,252)
Peroxidases

>  <Form> (1,252)
free base

>  <CAS> (1,252)
25459-91-0

>  <URL> (1,252)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/09132309312D

 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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M  END
>  <Mol_ID> (1,253)
1253

>  <Formula> (1,253)
C27H33ClN2O4

>  <MolWeight> (1,253)
485.01492

>  <Cat> (1,253)
S6760

>  <Name> (1,253)
LM22B-10

>  <Target> (1,253)
Trk receptor

>  <Form> (1,253)
free base

>  <CAS> (1,253)
342777-54-2

>  <URL> (1,253)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/09132309312D

 31 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,254)
1254

>  <Formula> (1,254)
C20H15F3N8

>  <MolWeight> (1,254)
424.3819096

>  <Cat> (1,254)
S6762

>  <Name> (1,254)
Bozitinib (PLB-1001)

>  <Target> (1,254)
c-Met

>  <Form> (1,254)
free base

>  <CAS> (1,254)
1440964-89-5

>  <URL> (1,254)
http://www.selleckchem.com/products/bozitinib.html

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Akt

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free base

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1313881-70-7

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DDR

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free base

>  <CAS> (1,256)
no

>  <URL> (1,256)
http://www.selleckchem.com/products/vu6015929.html

$$$$

csChFnd80/09132309312D

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Akt

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hydrochloride

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105637-50-1

>  <URL> (1,257)
http://www.selleckchem.com/products/ml-9-hcl.html

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csChFnd80/09132309312D

 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
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1259

>  <Formula> (1,259)
C29H35F3N8O5S

>  <MolWeight> (1,259)
664.6990096

>  <Cat> (1,259)
S6868

>  <Name> (1,259)
Alflutinib (AST2818) mesylate

>  <Target> (1,259)
EGFR

>  <Form> (1,259)
mesylate

>  <CAS> (1,259)
1869057-83-9

>  <URL> (1,259)
http://www.selleckchem.com/products/alflutinib-ast2818-.html

$$$$

csChFnd80/09132309312D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,260)
1260

>  <Formula> (1,260)
C31H29FN4O5

>  <MolWeight> (1,260)
556.5841632

>  <Cat> (1,260)
S6870

>  <Name> (1,260)
Ningetinib

>  <Target> (1,260)
c-Met

>  <Form> (1,260)
free base

>  <CAS> (1,260)
1394820-69-9

>  <URL> (1,260)
http://www.selleckchem.com/products/ningetinib.html

$$$$

csChFnd80/09132309312D

  7  5  0  0  0  0  0  0  0  0999 V2000
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  2  7  1  0  0  0  0
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  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,261)
1261

>  <Formula> (1,261)
C2H2NNaO3

>  <MolWeight> (1,261)
111.03195

>  <Cat> (1,261)
S6871

>  <Name> (1,261)
Sodium oxamate

>  <Target> (1,261)
LDH

>  <Form> (1,261)
Sodium

>  <CAS> (1,261)
565-73-1

>  <URL> (1,261)
http://www.selleckchem.com/products/sodium-oxamate.html

$$$$

csChFnd80/09132309312D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,262)
1262

>  <Formula> (1,262)
C20H11N5OS

>  <MolWeight> (1,262)
369.39924

>  <Cat> (1,262)
S6882

>  <Name> (1,262)
HI-TOPK-032

>  <Target> (1,262)
TOPK

>  <Form> (1,262)
free base

>  <CAS> (1,262)
487020-03-1

>  <URL> (1,262)
http://www.selleckchem.com/products/hi-topk-032.html

$$$$

csChFnd80/09132309312D

 25 28  0  0  0  0  0  0  0  0999 V2000
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1610358-56-9

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2247481-21-4

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1181770-72-8

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http://www.selleckchem.com/products/emd638683.html

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1263373-43-8

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1655504-04-3

>  <URL> (1,276)
http://www.selleckchem.com/products/orelabrutinib.html

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free base

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1034895-42-5

>  <URL> (1,277)
http://www.selleckchem.com/products/9-ing-41.html

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1422365-93-2

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300815-04-7

>  <URL> (1,279)
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57818-44-7

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1130115-44-4

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1613191-99-3

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>  <Formula> (1,284)
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>  <MolWeight> (1,284)
507.5317864

>  <Cat> (1,284)
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>  <Name> (1,284)
Remibrutinib (LOU064)

>  <Target> (1,284)
BTK

>  <Form> (1,284)
free base

>  <CAS> (1,284)
1787294-07-8

>  <URL> (1,284)
http://www.selleckchem.com/products/remibrutinib-lou064.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,285)
1285

>  <Formula> (1,285)
C28H40N6O

>  <MolWeight> (1,285)
476.6568

>  <Cat> (1,285)
S9662

>  <Name> (1,285)
UNC2025

>  <Target> (1,285)
FLT3

>  <Form> (1,285)
free base

>  <CAS> (1,285)
1429881-91-3

>  <URL> (1,285)
http://www.selleckchem.com/products/unc2025.html

$$$$

csChFnd80/09132309312D

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  2 32  1  1  0  0  0
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M  END
>  <Mol_ID> (1,288)
1288

>  <Formula> (1,288)
C28H26N4O3

>  <MolWeight> (1,288)
466.53104

>  <Cat> (1,288)
S1421

>  <Name> (1,288)
Staurosporine

>  <Synonyms> (1,288)
CGP 41251

>  <Target> (1,288)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (1,288)
Free Base

>  <CAS> (1,288)
62996-74-1

>  <URL> (1,288)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,289)
1289

>  <Formula> (1,289)
C45H74O

>  <MolWeight> (1,289)
631.06846

>  <Cat> (1,289)
S2360

>  <Name> (1,289)
Solanesol (Nonaisoprenol)

>  <Synonyms> (1,289)
Nonaisoprenol, Betulanonaprenol

>  <Target> (1,289)
others

>  <Form> (1,289)
Free Base

>  <CAS> (1,289)
13190-97-1

>  <URL> (1,289)
https://www.selleckchem.com/products/solanesol-nonaisoprenol.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,290)
1290

>  <Formula> (1,290)
C17H15N5

>  <MolWeight> (1,290)
289.3345

>  <Cat> (1,290)
S0540

>  <Name> (1,290)
BAY-474

>  <Synonyms> (1,290)
N/A

>  <Target> (1,290)
c-Met

>  <Form> (1,290)
Free Base

>  <CAS> (1,290)
1033767-86-0

>  <URL> (1,290)
https://www.selleckchem.com/products/bay-474.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,291)
1291

>  <Formula> (1,291)
C21H18N2O

>  <MolWeight> (1,291)
314.38042

>  <Cat> (1,291)
S0765

>  <Name> (1,291)
MAZ51

>  <Synonyms> (1,291)
N/A

>  <Target> (1,291)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (1,291)
Free Base

>  <CAS> (1,291)
163655-37-6

>  <URL> (1,291)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,292)
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>  <Formula> (1,292)
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>  <MolWeight> (1,292)
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>  <Cat> (1,292)
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>  <Name> (1,292)
Ginsenoside Rk1

>  <Synonyms> (1,292)
N/A

>  <Target> (1,292)
others

>  <Form> (1,292)
Free Base

>  <CAS> (1,292)
494753-69-4

>  <URL> (1,292)
https://www.selleckchem.com/products/ginsenoside-rk1.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,293)
1293

>  <Formula> (1,293)
C42H66O16

>  <MolWeight> (1,293)
826.96384

>  <Cat> (1,293)
S9216

>  <Name> (1,293)
Esculentoside A

>  <Synonyms> (1,293)
N/A

>  <Target> (1,293)
Immunology & Inflammation related

>  <Form> (1,293)
Free Base

>  <CAS> (1,293)
65497-07-6

>  <URL> (1,293)
https://www.selleckchem.com/products/esculentoside-a.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,294)
1294

>  <Formula> (1,294)
C19H20O5

>  <MolWeight> (1,294)
328.3591

>  <Cat> (1,294)
S9264

>  <Name> (1,294)
Decursin

>  <Synonyms> (1,294)
N/A

>  <Target> (1,294)
Immunology & Inflammation related

>  <Form> (1,294)
Free Base

>  <CAS> (1,294)
5928-25-6

>  <URL> (1,294)
https://www.selleckchem.com/products/decursin.html

$$$$

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M  END
>  <Mol_ID> (1,295)
1295

>  <Formula> (1,295)
C57H92O28

>  <MolWeight> (1,295)
1225.32358

>  <Cat> (1,295)
S9304

>  <Name> (1,295)
Platycodin D

>  <Synonyms> (1,295)
N/A

>  <Target> (1,295)
Immunology & Inflammation related

>  <Form> (1,295)
Free Base

>  <CAS> (1,295)
58479-68-8

>  <URL> (1,295)
https://www.selleckchem.com/products/platycodin-d.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,296)
1296

>  <Formula> (1,296)
C22H26N2O4

>  <MolWeight> (1,296)
382.45284

>  <Cat> (1,296)
S9306

>  <Name> (1,296)
Corynoxeine

>  <Synonyms> (1,296)
N/A

>  <Target> (1,296)
ERK

>  <Form> (1,296)
Free Base

>  <CAS> (1,296)
630-94-4

>  <URL> (1,296)
https://www.selleckchem.com/products/corynoxeine.html

$$$$

csChFnd80/09132309312D

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C50H83NO21

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Tomatine

>  <Synonyms> (1,297)
lycopersicin

>  <Target> (1,297)
Anti-infection

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Free Base

>  <CAS> (1,297)
17406-45-0

>  <URL> (1,297)
https://www.selleckchem.com/products/tomatine.html

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csChFnd80/09132309312D

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>  <Formula> (1,298)
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>  <MolWeight> (1,298)
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>  <Synonyms> (1,298)
N/A

>  <Target> (1,298)
Serine/threonin kinase

>  <Form> (1,298)
Free Base

>  <CAS> (1,298)
2123489-30-3

>  <URL> (1,298)
https://www.selleckchem.com/products/wnk-in-11.html

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csChFnd80/09132309312D

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1299

>  <Formula> (1,299)
C30H37N7O2

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>  <Synonyms> (1,299)
N/A

>  <Target> (1,299)
SIK

>  <Form> (1,299)
Free Base

>  <CAS> (1,299)
2172617-15-9

>  <URL> (1,299)
https://www.selleckchem.com/products/ykl-06-061.html

$$$$

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1262041-49-5

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138736-73-9

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189290-58-2

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374703-78-3

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   11.1023    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0391    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6064    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  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
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  1 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
 11 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 11  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,305)
1305

>  <Formula> (1,305)
C18H15N5O

>  <MolWeight> (1,305)
317.3446

>  <Cat> (1,305)
S0256

>  <Name> (1,305)
Ehp-inhibitor-1

>  <Synonyms> (1,305)
Ehp inhibitor 2

>  <Target> (1,305)
Ephrin receptor

>  <Form> (1,305)
Free Base

>  <CAS> (1,305)
861249-59-4

>  <URL> (1,305)
https://www.selleckchem.com/products/ehp-inhibitor.html

$$$$

csChFnd80/09132309312D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.0545    6.5190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9668    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    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
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  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
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  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
  8  5  2  0  0  0  0
M  END
>  <Mol_ID> (1,306)
1306

>  <Formula> (1,306)
C17H15NO2

>  <MolWeight> (1,306)
265.3065

>  <Cat> (1,306)
S0290

>  <Name> (1,306)
SU5204

>  <Synonyms> (1,306)
N/A

>  <Target> (1,306)
VEGFR. HER2

>  <Form> (1,306)
Free Base

>  <CAS> (1,306)
186611-11-0

>  <URL> (1,306)
https://www.selleckchem.com/products/su5204.html

$$$$

csChFnd80/09132309312D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    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
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
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  6  4  1  6  0  0  0
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  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,307)
1307

>  <Formula> (1,307)
C13H14N2O3

>  <MolWeight> (1,307)
246.26186

>  <Cat> (1,307)
S0323

>  <Name> (1,307)
Antineoplaston A10

>  <Synonyms> (1,307)
N/A

>  <Target> (1,307)
Ras

>  <Form> (1,307)
Free Base

>  <CAS> (1,307)
91531-30-5

>  <URL> (1,307)
https://www.selleckchem.com/products/antineoplaston-a10.html

$$$$

csChFnd80/09132309312D

 22 25  0  0  0  0  0  0  0  0999 V2000
    8.7886    1.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2052    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0918    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058    5.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7339    4.3312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3959    1.2052    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    5.7604    5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2665    3.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5703    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6188    2.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9719    6.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2802    5.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5425    2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3912    6.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
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  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 20  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,308)
1308

>  <Formula> (1,308)
C16H11N3O3

>  <MolWeight> (1,308)
293.27684

>  <Cat> (1,308)
S0354

>  <Name> (1,308)
Alsterpaullone

>  <Synonyms> (1,308)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (1,308)
CDK. GSK-3. apoptosis related. Caspase

>  <Form> (1,308)
Free Base

>  <CAS> (1,308)
237430-03-4

>  <URL> (1,308)
https://www.selleckchem.com/products/alsterpaullone.html

$$$$

csChFnd80/09132309312D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.5821    2.8486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9665    6.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3254   11.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2152    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4353    9.6195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7353   10.8319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    7.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    0.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8276    9.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3969    8.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4984    8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6760    8.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 21  2  0  0  0  0
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 29 30  2  0  0  0  0
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 32 33  2  0  0  0  0
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 33 36  1  0  0  0  0
 34 37  1  0  0  0  0
 35 39  2  0  0  0  0
 36 40  2  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (1,309)
1309

>  <Formula> (1,309)
C31H29FN4O5

>  <MolWeight> (1,309)
556.5841632

>  <Cat> (1,309)
S0361

>  <Name> (1,309)
AMG-1

>  <Synonyms> (1,309)
c-Met/RON Dual Kinase Inhibitor, RON-IN-1

>  <Target> (1,309)
c-Met

>  <Form> (1,309)
Free Base

>  <CAS> (1,309)
913376-84-8

>  <URL> (1,309)
https://www.selleckchem.com/products/amg-1.html

$$$$

csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8677    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1258296-60-4

>  <URL> (1,311)
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1265789-88-5

>  <URL> (1,312)
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210302-17-3

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https://www.selleckchem.com/products/bam-15.html

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ML281

>  <Synonyms> (1,314)
N/A

>  <Target> (1,314)
Serine/threonin kinase

>  <Form> (1,314)
Free Base

>  <CAS> (1,314)
1404437-62-2

>  <URL> (1,314)
https://www.selleckchem.com/products/ml281.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,315)
1315

>  <Formula> (1,315)
C15H12Cl2N4O

>  <MolWeight> (1,315)
335.18798

>  <Cat> (1,315)
S0454

>  <Name> (1,315)
Adjudin

>  <Synonyms> (1,315)
AF-2364

>  <Target> (1,315)
Chloride Channel. NF-¦ÊB. ERK

>  <Form> (1,315)
Free Base

>  <CAS> (1,315)
252025-52-8

>  <URL> (1,315)
https://www.selleckchem.com/products/adjudin.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,316)
1316

>  <Formula> (1,316)
C16H16N4

>  <MolWeight> (1,316)
264.32504

>  <Cat> (1,316)
S0771

>  <Name> (1,316)
BRD6989

>  <Synonyms> (1,316)
N/A

>  <Target> (1,316)
CDK. Interleukins.

>  <Form> (1,316)
Free Base

>  <CAS> (1,316)
642008-81-9

>  <URL> (1,316)
https://www.selleckchem.com/products/brd6989.html

$$$$

csChFnd80/09132309312D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,317)
1317

>  <Formula> (1,317)
C22H16N2O2

>  <MolWeight> (1,317)
340.37464

>  <Cat> (1,317)
S0775

>  <Name> (1,317)
IRAK4-IN-4

>  <Synonyms> (1,317)
N/A

>  <Target> (1,317)
IRAK, cGAS

>  <Form> (1,317)
Free Base

>  <CAS> (1,317)
1850276-58-2

>  <URL> (1,317)
https://www.selleckchem.com/products/irak4-in-4.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,318)
1318

>  <Formula> (1,318)
C16H12ClNO

>  <MolWeight> (1,318)
269.72558

>  <Cat> (1,318)
S0780

>  <Name> (1,318)
Oncrasin-1

>  <Synonyms> (1,318)
N/A

>  <Target> (1,318)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (1,318)
Free Base

>  <CAS> (1,318)
75629-57-1

>  <URL> (1,318)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/09132309312D

 26 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,319)
1319

>  <Formula> (1,319)
C20H11N3O3

>  <MolWeight> (1,319)
341.31964

>  <Cat> (1,319)
S0781

>  <Name> (1,319)
IQ 3

>  <Synonyms> (1,319)
N/A

>  <Target> (1,319)
JNK. NF-¦ÊB. TNF-¦Á. IL-6

>  <Form> (1,319)
Free Base

>  <CAS> (1,319)
312538-03-7

>  <URL> (1,319)
https://www.selleckchem.com/products/iq-3.html

$$$$

csChFnd80/09132309312D

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S0795

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O-304X

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AMPK

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Free Base

>  <CAS> (1,320)
1261289-04-6

>  <URL> (1,320)
https://www.selleckchem.com/products/o-304.html

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csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,321)
1321

>  <Formula> (1,321)
C20H23N5O

>  <MolWeight> (1,321)
349.42952

>  <Cat> (1,321)
S0798

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PZ-2891

>  <Synonyms> (1,321)
N/A

>  <Target> (1,321)
others

>  <Form> (1,321)
Free Base

>  <CAS> (1,321)
2170608-82-7

>  <URL> (1,321)
https://www.selleckchem.com/products/pz-2891.html

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csChFnd80/09132309312D

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M  END
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1322

>  <Formula> (1,322)
C15H21N3O6

>  <MolWeight> (1,322)
339.34374

>  <Cat> (1,322)
S0827

>  <Name> (1,322)
LM22A-4

>  <Synonyms> (1,322)
LM 22A4

>  <Target> (1,322)
Trk receptor

>  <Form> (1,322)
Free Base

>  <CAS> (1,322)
37988-18-4

>  <URL> (1,322)
https://www.selleckchem.com/products/lm-22a4.html

$$$$

csChFnd80/09132309312D

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1323

>  <Formula> (1,323)
C18H13F2NO3

>  <MolWeight> (1,323)
329.2975264

>  <Cat> (1,323)
S0881

>  <Name> (1,323)
Mitochonic acid 5

>  <Synonyms> (1,323)
MA-5

>  <Target> (1,323)
Mitophagy. MAPK. ERK. Yap

>  <Form> (1,323)
Free Base

>  <CAS> (1,323)
1354707-41-7

>  <URL> (1,323)
https://www.selleckchem.com/products/mitochonic-acid-5.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,324)
1324

>  <Formula> (1,324)
C15H9NO3

>  <MolWeight> (1,324)
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>  <Cat> (1,324)
S0890

>  <Name> (1,324)
MLS000532223

>  <Synonyms> (1,324)
N/A

>  <Target> (1,324)
Rho

>  <Form> (1,324)
Free Base

>  <CAS> (1,324)
16616-39-0

>  <URL> (1,324)
https://www.selleckchem.com/products/mls000532223.html

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csChFnd80/09132309312D

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831234-13-0

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PDK

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Free Base

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729-46-4

>  <URL> (1,326)
https://www.selleckchem.com/products/jx06.html

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1327

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C22H31N9O

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437.54124

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S1272

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XL228

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N/A

>  <Target> (1,327)
Bcr-Abl. Aurora Kinase. IGF-1R. Src.

>  <Form> (1,327)
Free Base

>  <CAS> (1,327)
898280-07-4

>  <URL> (1,327)
https://www.selleckchem.com/products/xl228.html

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C29H30O13

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S1273

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AG

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21018-84-8

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 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> (1,329)
1329

>  <Formula> (1,329)
C13H8O3

>  <MolWeight> (1,329)
212.20082

>  <Cat> (1,329)
S1321

>  <Name> (1,329)
Urolithin B

>  <Synonyms> (1,329)
N/A

>  <Target> (1,329)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (1,329)
Free Base

>  <CAS> (1,329)
1139-83-9

>  <URL> (1,329)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/09132309312D

 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> (1,330)
1330

>  <Formula> (1,330)
C16H12O3

>  <MolWeight> (1,330)
252.26468

>  <Cat> (1,330)
S1323

>  <Name> (1,330)
7-Methoxyisoflavone

>  <Synonyms> (1,330)
MIF

>  <Target> (1,330)
AMPK

>  <Form> (1,330)
Free Base

>  <CAS> (1,330)
1621-56-3

>  <URL> (1,330)
https://www.selleckchem.com/products/7-methoxyisoflavone.html

$$$$

csChFnd80/09132309312D

 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> (1,331)
1331

>  <Formula> (1,331)
C5H6Na2O5

>  <MolWeight> (1,331)
192.07768

>  <Cat> (1,331)
S1325

>  <Name> (1,331)
L-2-Hydroxyglutaric acid disodium

>  <Synonyms> (1,331)
(S)-2-Hydroxyglutaric acid disodium, L-2-Hydroxyglutarate disodium, LG

>  <Target> (1,331)
Histone Demethylase

>  <Form> (1,331)
Disodium

>  <CAS> (1,331)
63512-50-5

>  <URL> (1,331)
https://www.selleckchem.com/products/l-2-hydroxyglutaric-acid-disodium.html

$$$$

csChFnd80/09132309312D

 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> (1,332)
1332

>  <Formula> (1,332)
C30H36Br2N4O2

>  <MolWeight> (1,332)
644.44044

>  <Cat> (1,332)
S2942

>  <Name> (1,332)
EB-3D

>  <Synonyms> (1,332)
N/A

>  <Target> (1,332)
Choline kinase. AMPK. Apoptosis related

>  <Form> (1,332)
Free Base

>  <CAS> (1,332)
1839150-63-8

>  <URL> (1,332)
https://www.selleckchem.com/products/eb-3d.html

$$$$

csChFnd80/09132309312D

 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> (1,333)
1333

>  <Formula> (1,333)
C13H17Cl2N3O2S

>  <MolWeight> (1,333)
350.26398

>  <Cat> (1,333)
S2964

>  <Name> (1,333)
HA-100 dihydrochloride

>  <Synonyms> (1,333)
N/A

>  <Target> (1,333)
PKG, PKA, PKC, MLCK

>  <Form> (1,333)
Dihydrochlori

>  <CAS> (1,333)
210297-47-5

>  <URL> (1,333)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/09132309312D

 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> (1,334)
1334

>  <Formula> (1,334)
C12H14N2O2

>  <MolWeight> (1,334)
218.25176

>  <Cat> (1,334)
S2985

>  <Name> (1,334)
N-Acetyl-5-hydroxytryptamine

>  <Synonyms> (1,334)
NAS, N-Acetylserotonin, Normelatonin, O-Demethylmelatonin

>  <Target> (1,334)
Trk receptor

>  <Form> (1,334)
Free Base

>  <CAS> (1,334)
1210-83-9

>  <URL> (1,334)
https://www.selleckchem.com/products/n-acetyl-5-hydroxytryptamine.html

$$$$

csChFnd80/09132309312D

  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> (1,335)
1335

>  <Formula> (1,335)
C3H4O3

>  <MolWeight> (1,335)
88.06206

>  <Cat> (1,335)
S3143

>  <Name> (1,335)
Pyruvic acid

>  <Synonyms> (1,335)
Acetylformic acid

>  <Target> (1,335)
LDH. Casein Kinase. ATPase.

>  <Form> (1,335)
Free Base

>  <CAS> (1,335)
127-17-3

>  <URL> (1,335)
https://www.selleckchem.com/products/pyruvic-acid.html

$$$$

csChFnd80/09132309312D

 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
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    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
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    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
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   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
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 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,336)
1336

>  <Formula> (1,336)
C16H30O2

>  <MolWeight> (1,336)
254.4082

>  <Cat> (1,336)
S3341

>  <Name> (1,336)
Palmitoleic acid

>  <Synonyms> (1,336)
POA, Palmitoleate

>  <Target> (1,336)
AMPK

>  <Form> (1,336)
Free Base

>  <CAS> (1,336)
373-49-9

>  <URL> (1,336)
https://www.selleckchem.com/products/palmitoleic-acid.html

$$$$

csChFnd80/09132309312D

 30 33  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
  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
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 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
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 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> (1,337)
1337

>  <Formula> (1,337)
C24H23N5O

>  <MolWeight> (1,337)
397.47232

>  <Cat> (1,337)
S5248

>  <Name> (1,337)
Apatinib

>  <Synonyms> (1,337)
YN968D1

>  <Target> (1,337)
VEGFR/c-RET

>  <Form> (1,337)
Free Base

>  <CAS> (1,337)
811803-05-1

>  <URL> (1,337)
https://www.selleckchem.com/products/apatinib.html

$$$$

csChFnd80/09132309312D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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  5 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,338)
1338

>  <Formula> (1,338)
C17H20N6O2S

>  <MolWeight> (1,338)
372.4447

>  <Cat> (1,338)
S6517

>  <Name> (1,338)
GNE-493

>  <Synonyms> (1,338)
N/A

>  <Target> (1,338)
PI3K. mTOR.

>  <Form> (1,338)
Free Base

>  <CAS> (1,338)
1033735-94-2

>  <URL> (1,338)
https://www.selleckchem.com/products/gne-493.html

$$$$

csChFnd80/09132309312D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,339)
1339

>  <Formula> (1,339)
C26H24IN7O

>  <MolWeight> (1,339)
577.41953

>  <Cat> (1,339)
S6912

>  <Name> (1,339)
Vacuolin-1

>  <Synonyms> (1,339)
N/A

>  <Target> (1,339)
PIKfyve. Autophagy

>  <Form> (1,339)
Free Base

>  <CAS> (1,339)
351986-85-1

>  <URL> (1,339)
https://www.selleckchem.com/products/vacuolin-1.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,340)
1340

>  <Formula> (1,340)
C21H19F2NO3

>  <MolWeight> (1,340)
371.3772664

>  <Cat> (1,340)
S6920

>  <Name> (1,340)
SEA0400

>  <Synonyms> (1,340)
N/A

>  <Target> (1,340)
Calcium Channel. Sodium Channel. ERK. p38 MA

>  <Form> (1,340)
Free Base

>  <CAS> (1,340)
223104-29-8

>  <URL> (1,340)
https://www.selleckchem.com/products/sea0400.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,341)
1341

>  <Formula> (1,341)
C22H27ClN4O5

>  <MolWeight> (1,341)
462.92658

>  <Cat> (1,341)
S6921

>  <Name> (1,341)
Dorzagliatin

>  <Synonyms> (1,341)
HMS-5552, RO-5305552, Sinogliatin

>  <Target> (1,341)
Carbohydrate Metabolism

>  <Form> (1,341)
Free Base

>  <CAS> (1,341)
1191995-00-2

>  <URL> (1,341)
https://www.selleckchem.com/products/dorzagliatin.html

$$$$

csChFnd80/09132309312D

  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> (1,342)
1342

>  <Formula> (1,342)
R

>  <Cat> (1,342)
S6955

>  <Name> (1,342)
Insulin (human)

>  <Synonyms> (1,342)
Insulin regular

>  <Target> (1,342)
IGF-1R

>  <Form> (1,342)
Free Base

>  <CAS> (1,342)
11061-68-0

>  <URL> (1,342)
https://www.selleckchem.com/products/insulin.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,343)
1343

>  <Formula> (1,343)
C40H52N8O10S2

>  <MolWeight> (1,343)
869.01848

>  <Cat> (1,343)
S8979

>  <Name> (1,343)
THAL-SNS-032

>  <Synonyms> (1,343)
N/A

>  <Target> (1,343)
CDK. PROTAC. E3 Ligase

>  <Form> (1,343)
Free Base

>  <CAS> (1,343)
2139287-33-3

>  <URL> (1,343)
https://www.selleckchem.com/products/thal-sns-032.html

$$$$

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unknown

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168682-53-9

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IRAK

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Free Base

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unknown

>  <URL> (1,346)
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phosphatase

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2160546-07-4

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PI3K

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2103-64-2

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543.6118432

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>  <Name> (1,349)
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>  <Synonyms> (1,349)
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EGFR

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>  <CAS> (1,349)
2140807-05-0

>  <URL> (1,349)
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csChFnd80/09132309312D

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N/A

>  <Target> (1,350)
E3 Ligase 

>  <Form> (1,350)
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>  <CAS> (1,350)
222716-34-9

>  <URL> (1,350)
http://www.selleckchem.com/products/szl-p1-41.html

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>  <Target> (1,351)
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2254693-15-5

>  <URL> (1,351)
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csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,352)
1352

>  <Formula> (1,352)
C29H29ClN6O4

>  <MolWeight> (1,352)
561.03136

>  <Cat> (1,352)
S9786

>  <Name> (1,352)
BDTX-189

>  <Synonyms> (1,352)
N/A

>  <Target> (1,352)
EGFR

>  <Form> (1,352)
Free Base

>  <CAS> (1,352)
2414572-47-5

>  <URL> (1,352)
http://www.selleckchem.com/products/bdtx-189.html

$$$$

csChFnd80/09132309312D

 36 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,353)
1353

>  <Formula> (1,353)
C24H27Cl3FN5O3

>  <MolWeight> (1,353)
558.8602832

>  <Cat> (1,353)
S0711

>  <Name> (1,353)
Canertinib dihydrochloride

>  <Synonyms> (1,353)
CI-1033 dihydrochloride, PD-183805 dihydrochloride

>  <Target> (1,353)
EGFR

>  <Form> (1,353)
Dihydrochloride

>  <CAS> (1,353)
289499-45-2

>  <URL> (1,353)
http://www.selleckchem.com/products/canertinib-dihydrochloride.html

$$$$

csChFnd80/09132309312D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,354)
1354

>  <Formula> (1,354)
C24H29N7O2

>  <MolWeight> (1,354)
447.53276

>  <Cat> (1,354)
S4482

>  <Name> (1,354)
Palbociclib

>  <Synonyms> (1,354)
Ibrance, PD 0332991

>  <Target> (1,354)
CDK

>  <Form> (1,354)
Free Base

>  <CAS> (1,354)
571190-30-2

>  <URL> (1,354)
http://www.selleckchem.com/products/palbociclib.html

$$$$

csChFnd80/09132309312D

 19 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,355)
1355

>  <Formula> (1,355)
C13H8N4OS

>  <MolWeight> (1,355)
268.29382

>  <Cat> (1,355)
S9668

>  <Name> (1,355)
PKR-IN-C16

>  <Synonyms> (1,355)
imoxin, C16, Imidazolo-oxindole PKR inhibitor C16

>  <Target> (1,355)
PKR

>  <Form> (1,355)
Free Base

>  <CAS> (1,355)
608512-97-6

>  <URL> (1,355)
http://www.selleckchem.com/products/pkr-in-c16.html

$$$$

csChFnd80/09132309312D

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  5 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,356)
1356

>  <Formula> (1,356)
C17H15ClO2

>  <MolWeight> (1,356)
286.7528

>  <Cat> (1,356)
S7586

>  <Name> (1,356)
PS-48

>  <Synonyms> (1,356)
N/A

>  <Target> (1,356)
PDK

>  <Form> (1,356)
Free Base

>  <CAS> (1,356)
1180676-32-7

>  <URL> (1,356)
http://www.selleckchem.com/products/ps48.html

$$$$

csChFnd80/09132309312D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,357)
1357

>  <Formula> (1,357)
C16H22O3

>  <MolWeight> (1,357)
262.34408

>  <Cat> (1,357)
S4572

>  <Name> (1,357)
Homosalate

>  <Synonyms> (1,357)
HMS, Homomenthyl salicylate

>  <Target> (1,357)
PI3K

>  <Form> (1,357)
Free Base

>  <CAS> (1,357)
118-56-9

>  <URL> (1,357)
http://www.selleckchem.com/products/homosalate.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,358)
1358

>  <Formula> (1,358)
C28H29FIN5O5S

>  <MolWeight> (1,358)
693.5282332

>  <Cat> (1,358)
S4484

>  <Name> (1,358)
Trametinib DMSO solvate

>  <Synonyms> (1,358)
GSK1120212, JTP-74057, Mekinist

>  <Target> (1,358)
MEK

>  <Form> (1,358)
Free Base

>  <CAS> (1,358)
1187431-43-1

>  <URL> (1,358)
http://www.selleckchem.com/products/trametinib-dmso-solvate.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,359)
1359

>  <Formula> (1,359)
C23H31ClN8O

>  <MolWeight> (1,359)
470.99824

>  <Cat> (1,359)
S5187

>  <Name> (1,359)
Ribociclib hydrochloride

>  <Synonyms> (1,359)
LEE011 hydrochloride

>  <Target> (1,359)
CDK

>  <Form> (1,359)
Hydrochloride

>  <CAS> (1,359)
1211443-80-9

>  <URL> (1,359)
http://www.selleckchem.com/products/ribociclib-hydrochloride.html

$$$$

csChFnd80/09132309312D

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  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 10 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 10  1  0  0  0  0
 19 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 28 30  1  0  0  0  0
 17 31  1  1  0  0  0
M  END
>  <Mol_ID> (1,360)
1360

>  <Formula> (1,360)
C21H22F2N6O2

>  <MolWeight> (1,360)
428.4351864

>  <Cat> (1,360)
S5860

>  <Name> (1,360)
Larotrectinib

>  <Synonyms> (1,360)
Vitrakvi, LOXO-101, ARRY-470

>  <Target> (1,360)
Trk receptor

>  <Form> (1,360)
Free Base

>  <CAS> (1,360)
1223403-58-4

>  <URL> (1,360)
http://www.selleckchem.com/products/larotrectinib.html

$$$$

csChFnd80/09132309312D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 27  1  0  0  0  0
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  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
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 10 14  1  0  0  0  0
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 11 15  1  0  0  0  0
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 15 22  2  0  0  0  0
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 17 24  1  0  0  0  0
 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
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 22 26  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,361)
1361

>  <Formula> (1,361)
C21H19NO5

>  <MolWeight> (1,361)
365.37926

>  <Cat> (1,361)
S0235

>  <Name> (1,361)
Lavendustin B

>  <Synonyms> (1,361)
N/A

>  <Target> (1,361)
Integrase

>  <Form> (1,361)
Free Base

>  <CAS> (1,361)
125697-91-8

>  <URL> (1,361)
http://www.selleckchem.com/products/lavendustin-b.html

$$$$

csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2 20  1  0  0  0  0
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  9 10  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
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 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,362)
1362

>  <Formula> (1,362)
C16H13Cl2N3O2

>  <MolWeight> (1,362)
350.19932

>  <Cat> (1,362)
S0374

>  <Name> (1,362)
GDC046

>  <Synonyms> (1,362)
N/A

>  <Target> (1,362)
JAK

>  <Form> (1,362)
Free Base

>  <CAS> (1,362)
1258292-64-6

>  <URL> (1,362)
http://www.selleckchem.com/products/gdc046.html

$$$$

csChFnd80/09132309312D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,363)
1363

>  <Formula> (1,363)
C19H18FN3O2

>  <MolWeight> (1,363)
339.3635232

>  <Cat> (1,363)
S0995

>  <Name> (1,363)
BioE-1115

>  <Synonyms> (1,363)
N/A

>  <Target> (1,363)
Serine/threonin kinase

>  <Form> (1,363)
Free Base

>  <CAS> (1,363)
1268863-35-9

>  <URL> (1,363)
http://www.selleckchem.com/products/bioe-1115.html

$$$$

csChFnd80/09132309312D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 12  4  1  6  0  0  0
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 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,364)
1364

>  <Formula> (1,364)
C20H19ClN6O

>  <MolWeight> (1,364)
394.85746

>  <Cat> (1,364)
S8988

>  <Name> (1,364)
Rhosin hydrochloride

>  <Synonyms> (1,364)
G04 hydrochloride, Rhosin HCl

>  <Target> (1,364)
Rho

>  <Form> (1,364)
Hydrochloride

>  <CAS> (1,364)
1281870-42-5

>  <URL> (1,364)
http://www.selleckchem.com/products/rhosin-hydrochloride.html

$$$$

csChFnd80/09132309312D

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  2 39  1  0  0  0  0
  3 40  1  0  0  0  0
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  6 14  1  0  0  0  0
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  7 25  1  0  0  0  0
  8 23  1  0  0  0  0
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 11 25  1  0  0  0  0
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 13 33  2  0  0  0  0
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 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 26 28  1  0  0  0  0
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 32 34  1  0  0  0  0
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 33 36  1  0  0  0  0
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 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,365)
1365

>  <Formula> (1,365)
C27H36N8O5

>  <MolWeight> (1,365)
552.62534

>  <Cat> (1,365)
S5188

>  <Name> (1,365)
Ribociclib succinate

>  <Synonyms> (1,365)
LEE011 succinate, Kisqali

>  <Target> (1,365)
CDK

>  <Form> (1,365)
Succinate

>  <CAS> (1,365)
1374639-75-4

>  <URL> (1,365)
http://www.selleckchem.com/products/ribociclib-succinate.html

$$$$

csChFnd80/09132309312D

 40 41  0  0  0  0  0  0  0  0999 V2000
    9.6995   11.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (1,366)
1366

>  <Formula> (1,366)
C28H38Cl3N5O3S

>  <MolWeight> (1,366)
631.05702

>  <Cat> (1,366)
S4967

>  <Name> (1,366)
Ceritinib dihydrochloride

>  <Synonyms> (1,366)
Zykadia, LDK378 dihydrochloride

>  <Target> (1,366)
ALK

>  <Form> (1,366)
Dihydrochloride

>  <CAS> (1,366)
1380575-43-8

>  <URL> (1,366)
http://www.selleckchem.com/products/ceritinib-dihydrochloride.html

$$$$

csChFnd80/09132309312D

 31 33  0  0  0  0  0  0  0  0999 V2000
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   11.2425    8.8874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9587    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    6.0874    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    4.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    5.1584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2425    1.8874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    5.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 29  1  0  0  0  0
  5 22  1  0  0  0  0
 23  5  1  6  0  0  0
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  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 18  2  0  0  0  0
  9 21  2  0  0  0  0
  9 24  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,367)
1367

>  <Formula> (1,367)
C21H23Cl3FN5O

>  <MolWeight> (1,367)
486.7976232

>  <Cat> (1,367)
S5190

>  <Name> (1,367)
Crizotinib hydrochloride

>  <Synonyms> (1,367)
Xalkori, PF-02341066 hydrochloride

>  <Target> (1,367)
c-Met

>  <Form> (1,367)
Hydrochloride

>  <CAS> (1,367)
1415560-69-8

>  <URL> (1,367)
http://www.selleckchem.com/products/crizotinib-hydrochloride.html

$$$$

csChFnd80/09132309312D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,368)
1368

>  <Formula> (1,368)
C32H37N7O3

>  <MolWeight> (1,368)
567.68128

>  <Cat> (1,368)
S8393

>  <Name> (1,368)
HG-9-91-01

>  <Synonyms> (1,368)
SIK inhibitor 1

>  <Target> (1,368)
SIK

>  <Form> (1,368)
Free Base

>  <CAS> (1,368)
1456858-58-4

>  <URL> (1,368)
http://www.selleckchem.com/products/hg-9-91-01.html

$$$$

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M  END
>  <Mol_ID> (1,369)
1369

>  <Formula> (1,369)
C31H40N8O3S

>  <MolWeight> (1,369)
604.7661

>  <Cat> (1,369)
S8917

>  <Name> (1,369)
ME-401

>  <Synonyms> (1,369)
PWT-143, P110¦Ä-IN-1

>  <Target> (1,369)
PI3K

>  <Form> (1,369)
Free Base

>  <CAS> (1,369)
1595129-71-7

>  <URL> (1,369)
http://www.selleckchem.com/products/me-401.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,370)
1370

>  <Formula> (1,370)
C23H25N9O

>  <MolWeight> (1,370)
443.5043

>  <Cat> (1,370)
S9715

>  <Name> (1,370)
Lanraplenib (GS-9876)

>  <Synonyms> (1,370)
GS-SYK

>  <Target> (1,370)
Syk

>  <Form> (1,370)
Free Base

>  <CAS> (1,370)
1800046-95-0

>  <URL> (1,370)
http://www.selleckchem.com/products/lanraplenib.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,371)
1371

>  <Formula> (1,371)
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N/A

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ATM/ATR

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Free Base

>  <CAS> (1,371)
1876467-74-1

>  <URL> (1,371)
http://www.selleckchem.com/products/elimusertib-bay-1895344-.html

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C32H34ClN7O3

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600.11046

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S9646

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YKL-05-099

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N/A

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SIK

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Free Base

>  <CAS> (1,372)
1936529-65-5

>  <URL> (1,372)
http://www.selleckchem.com/products/ykl-05-099.html

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1373

>  <Formula> (1,373)
C4H11N5

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129.16364

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S5958

>  <Name> (1,373)
Metformin

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1,1-Dimethylbiguanide

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AMPK

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Free Base

>  <CAS> (1,373)
657-24-9

>  <URL> (1,373)
http://www.selleckchem.com/products/metformin.html

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1374

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C17H15N3O6

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357.3175

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S4842

>  <Name> (1,374)
Balsalazide

>  <Synonyms> (1,374)
Colazal, Giazo

>  <Target> (1,374)
Immunology & Inflammation related

>  <Form> (1,374)
Free Base

>  <CAS> (1,374)
80573-04-2

>  <URL> (1,374)
http://www.selleckchem.com/products/balsalazide.html

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>  <Formula> (1,375)
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>  <MolWeight> (1,375)
519.2763528

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S4947

>  <Name> (1,375)
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VEGFR

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>  <CAS> (1,375)
835621-07-3

>  <URL> (1,375)
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 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,376)
1376

>  <Formula> (1,376)
C14H13N3OS

>  <MolWeight> (1,376)
271.33752

>  <Cat> (1,376)
S0981

>  <Name> (1,376)
BD750

>  <Synonyms> (1,376)
N/A

>  <Target> (1,376)
JAK

>  <Form> (1,376)
Free Base

>  <CAS> (1,376)
892686-59-8

>  <URL> (1,376)
http://www.selleckchem.com/products/bd750.html

$$$$

csChFnd80/09132309312D

 48 43  0  0  0  0  0  0  0  0999 V2000
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 41 44  1  0  0  0  0
 42 43  2  0  0  0  0
 43 45  1  0  0  0  0
 44 45  2  0  0  0  0
M  END
>  <Mol_ID> (1,377)
1377

>  <Formula> (1,377)
C23H36FN6Na2O15P

>  <MolWeight> (1,377)
732.5148442

>  <Cat> (1,377)
S4944

>  <Name> (1,377)
Fostamatinib disodium hexahydrate

>  <Synonyms> (1,377)
Tavalisse, R788 disodium hexahydrate, Tamatinib Fosdium hexahydrate

>  <Target> (1,377)
Syk

>  <Form> (1,377)
Disodium hexahydrate

>  <CAS> (1,377)
914295-16-2

>  <URL> (1,377)
http://www.selleckchem.com/products/fostamatinib-disodium-hexahydrate.html

$$$$

csChFnd80/09132309312D

 41 43  0  0  0  0  0  0  0  0999 V2000
   10.9474   11.1516    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.9911    8.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,378)
1378

>  <Formula> (1,378)
C28H25ClF3N7O2

>  <MolWeight> (1,378)
583.9920096

>  <Cat> (1,378)
S4895

>  <Name> (1,378)
Nilotinib hydrochloride monohydrate

>  <Synonyms> (1,378)
Tasigna, AMN-107 hydrochloride monohydrate

>  <Target> (1,378)
Bcr-Abl

>  <Form> (1,378)
Hydrochloride monohydrate

>  <CAS> (1,378)
923288-90-8

>  <URL> (1,378)
http://www.selleckchem.com/products/nilotinib-hydrochloride-monohydrate.html

$$$$

csChFnd80/09132309312D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 23  8  1  0  0  0  0
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 14  3  1  0  0  0  0
 25  5  1  0  0  0  0
 23 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,379)
1379

>  <Formula> (1,379)
C22H28Cl2O4

>  <MolWeight> (1,379)
427.36132

>  <Cat> (1,379)
E0001

>  <Name> (1,379)
DCPIB

>  <Synonyms> (1,379)
N/A

>  <Target> (1,379)
Potassium Channel

>  <Form> (1,379)
Free Base

>  <CAS> (1,379)
82749-70-0

>  <URL> (1,379)
http://www.selleckchem.com/products/dcpib.html

$$$$

csChFnd80/09132309312D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1   2   1
M  RAD  1   3   1
M  END
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>  <Formula> (1,380)
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>  <MolWeight> (1,380)
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>  <Cat> (1,380)
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>  <Name> (1,380)
Mito-TEMPO

>  <Synonyms> (1,380)
N/A

>  <Target> (1,380)
RIP kinase

>  <Form> (1,380)
Free Base

>  <CAS> (1,380)
1334850-99-5

>  <URL> (1,380)
http://www.selleckchem.com/products/mito-tempo.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,381)
1382

>  <Formula> (1,381)
C24H25N7O5

>  <MolWeight> (1,381)
491.4992

>  <Cat> (1,381)
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>  <Name> (1,381)
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>  <Synonyms> (1,381)
N/A

>  <Target> (1,381)
IRAK

>  <Form> (1,381)
Free Base

>  <CAS> (1,381)
1801344-14-8

>  <URL> (1,381)
http://www.selleckchem.com/products/ca-4948.html

$$$$

csChFnd80/09132309312D

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1383

>  <Formula> (1,382)
C25H20N6O3

>  <MolWeight> (1,382)
452.4647

>  <Cat> (1,382)
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>  <Name> (1,382)
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>  <Synonyms> (1,382)
N/A

>  <Target> (1,382)
IRAK

>  <Form> (1,382)
Free Base

>  <CAS> (1,382)
2227368-54-7

>  <URL> (1,382)
http://www.selleckchem.com/products/jh-x-119-01.html

$$$$

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   10.6214    6.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  6  1  0  0  0  0
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 32  9  1  0  0  0  0
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 19 18  1  0  0  0  0
 21  1  1  0  0  0  0
 27 16  1  0  0  0  0
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M  END
>  <Mol_ID> (1,383)
1384

>  <Formula> (1,383)
C30H26O10

>  <MolWeight> (1,383)
546.52144

>  <Cat> (1,383)
E0010

>  <Name> (1,383)
Hypocrellin A

>  <Synonyms> (1,383)
N/A

>  <Target> (1,383)
PKC

>  <Form> (1,383)
Free Base

>  <CAS> (1,383)
77029-83-5

>  <URL> (1,383)
http://www.selleckchem.com/products/hypocrellin-a.html

$$$$

csChFnd80/09132309312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,384)
1385

>  <Formula> (1,384)
C15H16O3

>  <MolWeight> (1,384)
244.28574

>  <Cat> (1,384)
E0011

>  <Name> (1,384)
Linderalactone

>  <Synonyms> (1,384)
N/A

>  <Target> (1,384)
Bcl-2

>  <Form> (1,384)
Free Base

>  <CAS> (1,384)
728-61-0

>  <URL> (1,384)
http://www.selleckchem.com/products/linderalactone.html

$$$$

csChFnd80/09132309312D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,385)
1386

>  <Formula> (1,385)
C30H48O

>  <MolWeight> (1,385)
424.70152

>  <Cat> (1,385)
E0020

>  <Name> (1,385)
Lupenone

>  <Synonyms> (1,385)
Lup-20(29)-en-3-one, lupeone

>  <Target> (1,385)
Immunology & Inflammation related

>  <Form> (1,385)
Free Base

>  <CAS> (1,385)
1617-70-5

>  <URL> (1,385)
http://www.selleckchem.com/products/lupenone.html

$$$$

csChFnd80/09132309312D

 60 68  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,386)
1387

>  <Formula> (1,386)
C44H70O16

>  <MolWeight> (1,386)
855.017

>  <Cat> (1,386)
E0022

>  <Name> (1,386)
Ophiopogonin D

>  <Synonyms> (1,386)
OJV-VI, Deacetylophiopogonin C

>  <Target> (1,386)
AMPK

>  <Form> (1,386)
Free Base

>  <CAS> (1,386)
945619-74-9

>  <URL> (1,386)
http://www.selleckchem.com/products/ophiopogonin-d.html

$$$$

csChFnd80/09132309312D

137139  0  0  0  0  0  0  0  0999 V2000
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   52.1363    9.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   46.0739   11.2003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.0739   12.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8614   13.3006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   47.2864   13.3006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.8614    4.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.2240    7.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7991    7.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.0116    6.3004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   35.1617    6.3004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,387)
1388

>  <Formula> (1,387)
C90H154N30O17

>  <MolWeight> (1,387)
1928.37656

>  <Cat> (1,387)
P1083

>  <Name> (1,387)
ZIP

>  <Synonyms> (1,387)
N/A

>  <Target> (1,387)
PKM

>  <Form> (1,387)
Free Base

>  <CAS> (1,387)
863987-12-6

>  <URL> (1,387)
http://www.selleckchem.com/peptide/ZIP.html

$$$$

csChFnd80/09132309312D

 38 42  0  0  0  0  0  0  0  0999 V2000
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 27 32  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 34  2  0  0  0  0
 30 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  2  0  0  0  0
 36 38  2  0  0  0  0
 37 38  1  0  0  0  0
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>  <Mol_ID> (1,388)
1389

>  <Formula> (1,388)
C32H29NO5

>  <MolWeight> (1,388)
507.57636

>  <Cat> (1,388)
S0326

>  <Name> (1,388)
Olodanrigan (EMA401)

>  <Synonyms> (1,388)
PD-126055, (S) PD-126055

>  <Target> (1,388)
Angiotensin Receptor

>  <Form> (1,388)
Free Base

>  <CAS> (1,388)
1316755-16-4

>  <URL> (1,388)
http://www.selleckchem.com/products/ema401.html

$$$$

csChFnd80/09132309312D

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 10 17  2  0  0  0  0
 12 16  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  2  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 28  1  0  0  0  0
 22 29  2  0  0  0  0
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M  END
>  <Mol_ID> (1,389)
1390

>  <Formula> (1,389)
C24H15F2N3

>  <MolWeight> (1,389)
383.3928064

>  <Cat> (1,389)
S0350

>  <Name> (1,389)
CK1-IN-1

>  <Synonyms> (1,389)
PUN51207, Compound 1C

>  <Target> (1,389)
Casein Kinase

>  <Form> (1,389)
Free Base

>  <CAS> (1,389)
1784751-20-7

>  <URL> (1,389)
http://www.selleckchem.com/products/ck1-in-1.html

$$$$

csChFnd80/09132309312D

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  3 16  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  2  0  0  0  0
  9 11  1  0  0  0  0
  9 17  2  0  0  0  0
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 11 13  1  0  0  0  0
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 12 20  2  0  0  0  0
 13 21  2  0  0  0  0
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M  END
>  <Mol_ID> (1,390)
1391

>  <Formula> (1,390)
C20H13N3O2

>  <MolWeight> (1,390)
327.33612

>  <Cat> (1,390)
S0754

>  <Name> (1,390)
Bisindolylmaleimide IV

>  <Synonyms> (1,390)
Arcyriarubin A, BIM IV, Compound 5/1a

>  <Target> (1,390)
CMV

>  <Form> (1,390)
Free Base

>  <CAS> (1,390)
119139-23-0

>  <URL> (1,390)
http://www.selleckchem.com/products/bisindolylmaleimide-iv.html

$$$$

csChFnd80/09132309312D

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M  CFW  10 B_NG_STER 3
M  END
>  <Mol_ID> (1,391)
1392

>  <Formula> (1,391)
C15H10O4

>  <MolWeight> (1,391)
254.2375

>  <Cat> (1,391)
S0817

>  <Name> (1,391)
SKI-V

>  <Synonyms> (1,391)
N/A

>  <Target> (1,391)
SPHK

>  <Form> (1,391)
Free Base

>  <CAS> (1,391)
24418-86-8

>  <URL> (1,391)
http://www.selleckchem.com/products/ski-v.html

$$$$

csChFnd80/09132309312D

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796888-12-5

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1884222-74-5

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1198300-79-6

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1221412-23-2

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 15 24  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,396)
1397

>  <Formula> (1,396)
C22H20BrN3O3S

>  <MolWeight> (1,396)
486.3815

>  <Cat> (1,396)
S6000

>  <Name> (1,396)
CID44216842

>  <Synonyms> (1,396)
Cdc42-IN-1

>  <Target> (1,396)
Rho

>  <Form> (1,396)
Free Base

>  <CAS> (1,396)
1222513-26-9

>  <URL> (1,396)
http://www.selleckchem.com/products/cid44216842.html

$$$$

csChFnd80/09132309312D

 27 31  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
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 23 26  1  0  0  0  0
 18 20  1  0  0  0  0
  4 11  1  0  0  0  0
  3 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,397)
1398

>  <Formula> (1,397)
C19H20N6OS

>  <MolWeight> (1,397)
380.4667

>  <Cat> (1,397)
S6060

>  <Name> (1,397)
HPK1-IN-2

>  <Synonyms> (1,397)
N/A

>  <Target> (1,397)
Serine/threonin kinase

>  <Form> (1,397)
Free Base

>  <CAS> (1,397)
2056122-11-1

>  <URL> (1,397)
http://www.selleckchem.com/products/hpk1-in-2.html

$$$$

csChFnd80/09132309312D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,398)
1399

>  <Formula> (1,398)
C12H22ClN3OS

>  <MolWeight> (1,398)
291.84058

>  <Cat> (1,398)
S6078

>  <Name> (1,398)
ICCB-19 hydrochloride

>  <Synonyms> (1,398)
N/A

>  <Target> (1,398)
RIP kinase

>  <Form> (1,398)
Hydrochloride

>  <CAS> (1,398)
1803605-68-6

>  <URL> (1,398)
http://www.selleckchem.com/products/iccb-19-hydrochloride.html

$$$$

csChFnd80/09132309312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,399)
1400

>  <Formula> (1,399)
C17H11Cl2N3O2

>  <MolWeight> (1,399)
360.19414

>  <Cat> (1,399)
S6085

>  <Name> (1,399)
KY19382 (A3051)

>  <Synonyms> (1,399)
N/A

>  <Target> (1,399)
GSK-3

>  <Form> (1,399)
Free Base

>  <CAS> (1,399)
2226664-93-1

>  <URL> (1,399)
http://www.selleckchem.com/products/ky19382-a3051.html

$$$$

csChFnd80/09132309312D

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 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
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M  END
>  <Mol_ID> (1,400)
1401

>  <Formula> (1,400)
C16H23Cl2N3O2S

>  <MolWeight> (1,400)
392.34372

>  <Cat> (1,400)
S6214

>  <Name> (1,400)
H-1152 dihydrochloride

>  <Synonyms> (1,400)
H-1152 2HCl

>  <Target> (1,400)
Aurora Kinase

>  <Form> (1,400)
Dihydrochloride

>  <CAS> (1,400)
871543-07-6

>  <URL> (1,400)
http://www.selleckchem.com/products/h-1152-dihydrochloride.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,401)
1402

>  <Formula> (1,401)
C20H21N5

>  <MolWeight> (1,401)
331.41424

>  <Cat> (1,401)
S6383

>  <Name> (1,401)
1-NM-PP1

>  <Synonyms> (1,401)
PP1 Analog II, 1NM-PP1

>  <Target> (1,401)
Src

>  <Form> (1,401)
Free Base

>  <CAS> (1,401)
221244-14-0

>  <URL> (1,401)
http://www.selleckchem.com/products/1-nm-pp1.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,402)
1403

>  <Formula> (1,402)
C14H21N3O

>  <MolWeight> (1,402)
247.33604

>  <Cat> (1,402)
S6390

>  <Name> (1,402)
Y-27632

>  <Synonyms> (1,402)
N/A

>  <Target> (1,402)
ROCK

>  <Form> (1,402)
Free Base

>  <CAS> (1,402)
146986-50-7

>  <URL> (1,402)
http://www.selleckchem.com/products/y-27632.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,403)
1404

>  <Formula> (1,403)
C32H32F3N5O2S

>  <MolWeight> (1,403)
607.6889896

>  <Cat> (1,403)
S6515

>  <Name> (1,403)
ALW II-41-27

>  <Synonyms> (1,403)
N/A

>  <Target> (1,403)
Ephrin receptor

>  <Form> (1,403)
Free Base

>  <CAS> (1,403)
1186206-79-0

>  <URL> (1,403)
http://www.selleckchem.com/products/alw-ii-41-27.html

$$$$

csChFnd80/09132309312D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 19  7  2  0  0  0  0
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M  END
>  <Mol_ID> (1,404)
1405

>  <Formula> (1,404)
C20H22N2O

>  <MolWeight> (1,404)
306.40148

>  <Cat> (1,404)
S6875

>  <Name> (1,404)
CASIN

>  <Synonyms> (1,404)
Pirl1-related Compound 2

>  <Target> (1,404)
Rho

>  <Form> (1,404)
Free Base

>  <CAS> (1,404)
425399-05-9

>  <URL> (1,404)
http://www.selleckchem.com/products/casin.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,405)
1406

>  <Formula> (1,405)
C26H39N7O3

>  <MolWeight> (1,405)
497.63296

>  <Cat> (1,405)
S6884

>  <Name> (1,405)
LY3405105

>  <Synonyms> (1,405)
N/A

>  <Target> (1,405)
CDK

>  <Form> (1,405)
Free Base

>  <CAS> (1,405)
2326428-25-3

>  <URL> (1,405)
http://www.selleckchem.com/products/ly3405105.html

$$$$

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1407

>  <Formula> (1,406)
C21H16N4O

>  <MolWeight> (1,406)
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>  <Cat> (1,406)
S6930

>  <Name> (1,406)
MK2 Inhibitor III

>  <Synonyms> (1,406)
MK2-IN-3

>  <Target> (1,406)
MAPKAPK2

>  <Form> (1,406)
Free Base

>  <CAS> (1,406)
724711-21-1

>  <URL> (1,406)
http://www.selleckchem.com/products/mk2-inhibitor-iii.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,407)
1408

>  <Formula> (1,407)
C20H11Cl2NO4

>  <MolWeight> (1,407)
400.21164

>  <Cat> (1,407)
S6953

>  <Name> (1,407)
GW406108X

>  <Synonyms> (1,407)
GW108X

>  <Target> (1,407)
Kinesin

>  <Form> (1,407)
Free Base

>  <CAS> (1,407)
1644443-92-4

>  <URL> (1,407)
http://www.selleckchem.com/products/gw406108x.html

$$$$

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>  <Formula> (1,408)
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>  <MolWeight> (1,408)
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>  <Cat> (1,408)
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>  <Name> (1,408)
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>  <Synonyms> (1,408)
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>  <Target> (1,408)
BTK

>  <Form> (1,408)
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>  <CAS> (1,408)
2231744-29-7

>  <URL> (1,408)
http://www.selleckchem.com/products/mt-802.html

$$$$

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M  END
>  <Mol_ID> (1,409)
1410

>  <Formula> (1,409)
C26H26ClN3O4

>  <MolWeight> (1,409)
479.95534

>  <Cat> (1,409)
S7647

>  <Name> (1,409)
Lucitanib (E3810) hydrochloride

>  <Synonyms> (1,409)
AL3810

>  <Target> (1,409)
VEGFR

>  <Form> (1,409)
Hydrochloride

>  <CAS> (1,409)
1058137-23-7

>  <URL> (1,409)
http://www.selleckchem.com/products/lucitanib.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,410)
1411

>  <Formula> (1,410)
C26H25F2N7O6S2

>  <MolWeight> (1,410)
633.6468064

>  <Cat> (1,410)
S7837

>  <Name> (1,410)
Centrinone (LCR-263)

>  <Target> (1,410)
PLK

>  <Form> (1,410)
Free Base

>  <CAS> (1,410)
1798871-30-3

>  <URL> (1,410)
http://www.selleckchem.com/products/centrinone.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,411)
1412

>  <Formula> (1,411)
C18H19F2N5O4

>  <MolWeight> (1,411)
407.3713664

>  <Cat> (1,411)
S8668

>  <Name> (1,411)
GDC-0077

>  <Synonyms> (1,411)
RG6114

>  <Target> (1,411)
PI3K

>  <Form> (1,411)
Free Base

>  <CAS> (1,411)
2060571-02-8

>  <URL> (1,411)
http://www.selleckchem.com/products/gdc-0077.html

$$$$

csChFnd80/09132309312D

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IRAK4-IN-1

>  <Synonyms> (1,415)
Compound 23

>  <Target> (1,415)
IRAK

>  <Form> (1,415)
Free Base

>  <CAS> (1,415)
1820787-94-7

>  <URL> (1,415)
http://www.selleckchem.com/products/irak4-in-1.html

$$$$

csChFnd80/09132309312D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,416)
1417

>  <Formula> (1,416)
C20H12F3N3

>  <MolWeight> (1,416)
351.3245896

>  <Cat> (1,416)
S0186

>  <Name> (1,416)
TA-01

>  <Synonyms> (1,416)
N/A

>  <Target> (1,416)
Casein Kinase

>  <Form> (1,416)
Free Base

>  <CAS> (1,416)
1784751-18-3

>  <URL> (1,416)
http://www.selleckchem.com/products/ta-01.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,417)
1418

>  <Formula> (1,417)
C25H34Cl2N6O

>  <MolWeight> (1,417)
505.48306

>  <Cat> (1,417)
S0430

>  <Name> (1,417)
MELK-8a Dihydrochloride

>  <Synonyms> (1,417)
N/A

>  <Target> (1,417)
MELK

>  <Form> (1,417)
Dihydrochloride

>  <CAS> (1,417)
1922153-17-0 (free base)

>  <URL> (1,417)
http://www.selleckchem.com/products/melk-8a-hydrochloride.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,418)
1419

>  <Formula> (1,418)
C29H35ClFN7O3

>  <MolWeight> (1,418)
584.0847032

>  <Cat> (1,418)
E0368

>  <Name> (1,418)
DZD9008

>  <Synonyms> (1,418)
N/A

>  <Target> (1,418)
EGFR

>  <Form> (1,418)
Free Base

>  <CAS> (1,418)
2370013-49-1

>  <URL> (1,418)
http://www.selleckchem.com/products/dzd9008.html

$$$$

csChFnd80/09132309312D

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324759-76-4

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AMPK

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1394371-71-1

>  <URL> (1,420)
http://www.selleckchem.com/products/mk-8722.html

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ERK

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1234479-76-5

>  <URL> (1,421)
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Free Base

>  <CAS> (1,422)
1221962-86-2

>  <URL> (1,422)
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 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,423)
1424

>  <Formula> (1,423)
C21H22N4O4

>  <MolWeight> (1,423)
394.42378

>  <Cat> (1,423)
S5989

>  <Name> (1,423)
SKI-178

>  <Synonyms> (1,423)
N/A

>  <Target> (1,423)
SPHK

>  <Form> (1,423)
Free Base

>  <CAS> (1,423)
1259484-97-3

>  <URL> (1,423)
http://www.selleckchem.com/products/ski-178.html

$$$$

csChFnd80/09132309312D

 29 32  0  0  0  0  0  0  0  0999 V2000
   10.9120    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
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  9 10  1  0  0  0  0
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 10 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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 20 22  1  0  0  0  0
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 24 25  2  0  0  0  0
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 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,424)
1425

>  <Formula> (1,424)
C25H24N2O2

>  <MolWeight> (1,424)
384.47026

>  <Cat> (1,424)
S6177

>  <Name> (1,424)
CP 43

>  <Synonyms> (1,424)
Compound 43, TAO Kinase inhibitor 1, TAOK inhibitor 43,

>  <Target> (1,424)
Others

>  <Form> (1,424)
Free Base

>  <CAS> (1,424)
850467-66-2

>  <URL> (1,424)
http://www.selleckchem.com/products/cp-43.html

$$$$

csChFnd80/09132309312D

 34 38  0  0  0  0  0  0  0  0999 V2000
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   22.3266    3.4525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  2  0  0  0  0
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M  END
>  <Mol_ID> (1,425)
1426

>  <Formula> (1,425)
C26H36N6O2

>  <MolWeight> (1,425)
464.60304

>  <Cat> (1,425)
S6386

>  <Name> (1,425)
MRT67307

>  <Synonyms> (1,425)
IKK¦Å/TBK1 Inhibitor II

>  <Target> (1,425)
TBK1

>  <Form> (1,425)
Free Base

>  <CAS> (1,425)
1190378-57-4

>  <URL> (1,425)
http://www.selleckchem.com/products/mrt67307.html

$$$$

csChFnd80/09132309312D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 11 13  1  0  0  0  0
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 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,426)
1427

>  <Formula> (1,426)
C17H13NaO4

>  <MolWeight> (1,426)
304.27249

>  <Cat> (1,426)
S6396

>  <Name> (1,426)
HOIPIN-1

>  <Synonyms> (1,426)
JTP-0819958, HOIP inhibitor-1

>  <Target> (1,426)
Others

>  <Form> (1,426)
Free Base

>  <URL> (1,426)
http://www.selleckchem.com/products/hoipin-1.html

$$$$

csChFnd80/09132309312D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,427)
1428

>  <Formula> (1,427)
C27H23FN4O4S

>  <MolWeight> (1,427)
518.5593232

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S6764

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Pamufetinib (TAS-115)

>  <Synonyms> (1,427)
N/A

>  <Target> (1,427)
VEGFR

>  <Form> (1,427)
Free Base

>  <CAS> (1,427)
1190836-34-0

>  <URL> (1,427)
http://www.selleckchem.com/products/tas-115.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,428)
1429

>  <Formula> (1,428)
C21H31N7O

>  <MolWeight> (1,428)
397.51714

>  <Cat> (1,428)
S7371

>  <Name> (1,428)
Fadraciclib (CYC065)

>  <Synonyms> (1,428)
N/A

>  <Target> (1,428)
CDK

>  <Form> (1,428)
Free Base

>  <CAS> (1,428)
1070790-89-4

>  <URL> (1,428)
http://www.selleckchem.com/products/fadraciclib.html

$$$$

csChFnd80/09132309312D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,429)
1430

>  <Formula> (1,429)
C17H15BrN4O2S

>  <MolWeight> (1,429)
419.2956

>  <Cat> (1,429)
S9850

>  <Name> (1,429)
(E/Z)-GO289

>  <Synonyms> (1,429)
N/A

>  <Target> (1,429)
Casein Kinase

>  <Form> (1,429)
Free Base

>  <CAS> (1,429)
694522-87-7

>  <URL> (1,429)
http://www.selleckchem.com/products/e-z-go289.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,430)
1431

>  <Formula> (1,430)
C27H20ClN3O2

>  <MolWeight> (1,430)
453.9196

>  <Cat> (1,430)
E0047

>  <Name> (1,430)
Vodobatinib (K0706)

>  <Synonyms> (1,430)
SCO-088, SUN K706, SUN-K0706

>  <Target> (1,430)
Bcr-Abl

>  <Form> (1,430)
Free Base

>  <CAS> (1,430)
1388803-90-4

>  <URL> (1,430)
http://www.selleckchem.com/products/vodobatinib.html

$$$$

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 30 32  1  0  0  0  0
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M  END
>  <Mol_ID> (1,431)
1432

>  <Formula> (1,431)
C27H27N5O3

>  <MolWeight> (1,431)
469.53498

>  <Cat> (1,431)
E0050

>  <Name> (1,431)
Seralutinib (GB002)

>  <Synonyms> (1,431)
PK10571

>  <Target> (1,431)
PDGFR

>  <Form> (1,431)
Free Base

>  <CAS> (1,431)
1619931-27-9

>  <URL> (1,431)
http://www.selleckchem.com/products/seralutinib-pk10571.html

$$$$

csChFnd80/09132309312D

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 11 14  2  0  0  0  0
 13 17  1  0  0  0  0
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 19 20  2  0  0  0  0
  4 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,432)
1433

>  <Formula> (1,432)
C16H11N3O2

>  <MolWeight> (1,432)
277.27744

>  <Cat> (1,432)
E0072

>  <Name> (1,432)
Indirubin-3¡ä-oxime

>  <Synonyms> (1,432)
IDR3O, I3O

>  <Target> (1,432)
GSK-3

>  <Form> (1,432)
Free Base

>  <CAS> (1,432)
667463-82-3

>  <URL> (1,432)
http://www.selleckchem.com/products/indirubin-3-oxime.html

$$$$

csChFnd80/09132309312D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 10 12  2  0  0  0  0
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 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,433)
1434

>  <Formula> (1,433)
C21H18NO4+

>  <MolWeight> (1,433)
348.37192

>  <Cat> (1,433)
E0124

>  <Name> (1,433)
Chelerythrine

>  <Synonyms> (1,433)
Toddaline, Broussonpapyrine

>  <Target> (1,433)
PKC

>  <Form> (1,433)
Free Base

>  <CAS> (1,433)
34316-15-9

>  <URL> (1,433)
http://www.selleckchem.com/products/chelerythrine.html

$$$$

csChFnd80/09132309312D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,434)
1435

>  <Formula> (1,434)
C19H21ClN6O

>  <MolWeight> (1,434)
384.86264

>  <Cat> (1,434)
S8571

>  <Name> (1,434)
BTK IN-1

>  <Synonyms> (1,434)
SNS062 analog

>  <Target> (1,434)
Others

>  <Form> (1,434)
free base

>  <CAS> (1,434)
1270014-40-8

>  <URL> (1,434)
http://www.selleckchem.com/products/btk-in-1.html

$$$$

csChFnd80/09132309312D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,435)
1436

>  <Formula> (1,435)
C27H25FN6O

>  <MolWeight> (1,435)
468.5254032

>  <Cat> (1,435)
S9833

>  <Name> (1,435)
BAY-3827

>  <Form> (1,435)
free base

>  <CAS> (1,435)
2377576-35-5

>  <URL> (1,435)
http://www.selleckchem.com/products/bay-3827.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,436)
1437

>  <Formula> (1,436)
C29H33ClN6

>  <MolWeight> (1,436)
501.06552

>  <Cat> (1,436)
S9892

>  <Name> (1,436)
HM43239

>  <Synonyms> (1,436)
N/A

>  <Target> (1,436)
FLT3

>  <Form> (1,436)
free base

>  <CAS> (1,436)
2569527-64-4

>  <URL> (1,436)
http://www.selleckchem.com/products/hm43239.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,437)
1438

>  <Formula> (1,437)
C29H29F3N8O

>  <MolWeight> (1,437)
562.5887696

>  <Cat> (1,437)
S9973

>  <Name> (1,437)
Flumatinib (HH-GV-678)

>  <Synonyms> (1,437)
HH-GV678

>  <Target> (1,437)
Bcr-Abl

>  <Form> (1,437)
free base

>  <CAS> (1,437)
895519-90-1

>  <URL> (1,437)
http://www.selleckchem.com/products/flumatinib-hh-gv-678.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,438)
1439

>  <Formula> (1,438)
C15H12N2O2

>  <MolWeight> (1,438)
252.26798

>  <Cat> (1,438)
E0334

>  <Name> (1,438)
BAMB-4

>  <Synonyms> (1,438)
N/A

>  <Form> (1,438)
free base

>  <CAS> (1,438)
891025-25-5

>  <URL> (1,438)
http://www.selleckchem.com/products/bamb-4.html

$$$$

csChFnd80/09132309312D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,439)
1440

>  <Formula> (1,439)
C16H15BrN2O3

>  <MolWeight> (1,439)
363.2059

>  <Cat> (1,439)
S0179

>  <Name> (1,439)
mTOR inhibitor-1

>  <Target> (1,439)
Others

>  <Form> (1,439)
free base

>  <CAS> (1,439)
468747-17-3

>  <URL> (1,439)
http://www.selleckchem.com/products/mtor-inhibitor-1.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,440)
1441

>  <Formula> (1,440)
C13H9NOS

>  <MolWeight> (1,440)
227.28166

>  <Cat> (1,440)
S0291

>  <Name> (1,440)
SU5208

>  <Synonyms> (1,440)
3-[(Thien-2-yl)methylene]-2-indolinone

>  <Target> (1,440)
Others

>  <Form> (1,440)
free base

>  <CAS> (1,440)
62540-08-3

>  <URL> (1,440)
http://www.selleckchem.com/products/su5208.html

$$$$

csChFnd80/09132309312D

 15 15  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
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  3  6  1  0  0  0  0
 14 15  3  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,441)
1442

>  <Formula> (1,441)
C10H7NO4

>  <MolWeight> (1,441)
205.16688

>  <Cat> (1,441)
S0324

>  <Name> (1,441)
Tyrphostin AG30 (AG30)

>  <Synonyms> (1,441)
N/A

>  <Target> (1,441)
Others

>  <Form> (1,441)
free base

>  <CAS> (1,441)
122520-79-0

>  <URL> (1,441)
http://www.selleckchem.com/products/ag30.html

$$$$

csChFnd80/09132309312D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.6924    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8834    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5856    5.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4585    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
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  3 14  1  0  0  0  0
  4 11  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 12  1  0  0  0  0
 13 15  2  0  0  0  0
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 15 17  1  0  0  0  0
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 20 23  2  0  0  0  0
 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,442)
1443

>  <Formula> (1,442)
C19H20FN5O

>  <MolWeight> (1,442)
353.3934032

>  <Cat> (1,442)
S0387

>  <Name> (1,442)
SB 242235

>  <Synonyms> (1,442)
N/A

>  <Target> (1,442)
p38 MAPK

>  <Form> (1,442)
free base

>  <CAS> (1,442)
193746-75-7

>  <URL> (1,442)
http://www.selleckchem.com/products/sb-242235.html

$$$$

csChFnd80/09132309312D

 12 13  0  0  0  0  0  0  0  0999 V2000
    6.1812    3.9326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1812    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,443)
1444

>  <Formula> (1,443)
C9H8N2O

>  <MolWeight> (1,443)
160.17262

>  <Cat> (1,443)
S0388

>  <Name> (1,443)
SD169

>  <Synonyms> (1,443)
5-Carbamoylindole

>  <Target> (1,443)
Others

>  <Form> (1,443)
free base

>  <CAS> (1,443)
1670-87-7

>  <URL> (1,443)
http://www.selleckchem.com/products/sd169.html

$$$$

csChFnd80/09132309312D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.1785    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4785    2.2264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    7.0355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6355    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4015    4.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1104    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 11  2  0  0  0  0
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 14 15  1  0  0  0  0
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 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
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 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,444)
1445

>  <Formula> (1,444)
C16H10FN3O2

>  <MolWeight> (1,444)
295.2679032

>  <Cat> (1,444)
S0550

>  <Name> (1,444)
5'-Fluoroindirubinoxime

>  <Synonyms> (1,444)
5'-FIO, compound 13

>  <Target> (1,444)
FLT3

>  <Form> (1,444)
free base

>  <CAS> (1,444)
861214-33-7

>  <URL> (1,444)
http://www.selleckchem.com/products/5-fluoroindirubinoxime.html

$$$$

csChFnd80/09132309312D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    8.6062    5.8674    0.0000 N   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
  1  5  1  0  0  0  0
  3  6  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  1  0  0  0  0
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 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
 15 20  1  0  0  0  0
  7 13  1  0  0  0  0
  2  7  1  6  0  0  0
M  END
>  <Mol_ID> (1,445)
1446

>  <Formula> (1,445)
C19H26ClN7O

>  <MolWeight> (1,445)
403.90904

>  <Cat> (1,445)
S0734

>  <Name> (1,445)
Aminopurvalanol A

>  <Synonyms> (1,445)
N/A

>  <Target> (1,445)
CDK

>  <Form> (1,445)
free base

>  <CAS> (1,445)
220792-57-4

>  <URL> (1,445)
http://www.selleckchem.com/products/aminopurvalanol-a.html

$$$$

csChFnd80/09132309312D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.2745    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9117    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,446)
1447

>  <Formula> (1,446)
C17H13BrClF2IN2O2

>  <MolWeight> (1,446)
557.5555964

>  <Cat> (1,446)
S0739

>  <Name> (1,446)
PD184161

>  <Target> (1,446)
MEK

>  <Form> (1,446)
free base

>  <CAS> (1,446)
212631-67-9

>  <URL> (1,446)
http://www.selleckchem.com/products/pd184161.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,447)
1448

>  <Formula> (1,447)
C16H14N2O2

>  <MolWeight> (1,447)
266.29456

>  <Cat> (1,447)
S0763

>  <Name> (1,447)
Tyrphostin AG1433

>  <Synonyms> (1,447)
SU1433, AG1433

>  <Target> (1,447)
Others

>  <Form> (1,447)
free base

>  <CAS> (1,447)
168835-90-3

>  <URL> (1,447)
http://www.selleckchem.com/products/tyrphostin-ag1433.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,448)
1449

>  <Formula> (1,448)
C20H22N2O5

>  <MolWeight> (1,448)
370.39908

>  <Cat> (1,448)
S0848

>  <Name> (1,448)
GAK inhibitor 49

>  <Synonyms> (1,448)
N/A

>  <Target> (1,448)
Others

>  <Form> (1,448)
free base

>  <CAS> (1,448)
319492-82-5

>  <URL> (1,448)
http://www.selleckchem.com/products/gak-inhibitor-49.html

$$$$

csChFnd80/09132309312D

 34 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,449)
1450

>  <Formula> (1,449)
C24H28N8O2

>  <MolWeight> (1,449)
460.53152

>  <Cat> (1,449)
S0871

>  <Name> (1,449)
Gusacitinib (ASN-002)

>  <Synonyms> (1,449)
N/A

>  <Target> (1,449)
Syk

>  <Form> (1,449)
free base

>  <CAS> (1,449)
1425381-60-7

>  <URL> (1,449)
http://www.selleckchem.com/products/gusacitinib.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,450)
1451

>  <Formula> (1,450)
C17H20N4O2

>  <MolWeight> (1,450)
312.3663

>  <Cat> (1,450)
S0888

>  <Name> (1,450)
Rsva 405

>  <Synonyms> (1,450)
N/A

>  <Target> (1,450)
Others

>  <Form> (1,450)
free base

>  <CAS> (1,450)
140405-36-3

>  <URL> (1,450)
http://www.selleckchem.com/products/rsva-405.html

$$$$

csChFnd80/09132309312D

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660868-91-7

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C18H19NO3

>  <MolWeight> (1,455)
297.34836

>  <Cat> (1,455)
S5893

>  <Name> (1,455)
Poloxin

>  <Synonyms> (1,455)
N/A

>  <Target> (1,455)
PLK

>  <Form> (1,455)
free base

>  <CAS> (1,455)
321688-88-4

>  <URL> (1,455)
http://www.selleckchem.com/products/poloxin.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,456)
1457

>  <Formula> (1,456)
C23H20N2O3

>  <MolWeight> (1,456)
372.4165

>  <Cat> (1,456)
S6641

>  <Name> (1,456)
GW284543 (UNC10225170)

>  <Target> (1,456)
MEK

>  <Form> (1,456)
free base

>  <CAS> (1,456)
790186-68-4

>  <URL> (1,456)
http://www.selleckchem.com/products/gw284543.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,457)
1458

>  <Formula> (1,457)
C23H24N4O

>  <MolWeight> (1,457)
372.46286

>  <Cat> (1,457)
S7002

>  <Name> (1,457)
Zotiraciclib

>  <Synonyms> (1,457)
SB1317 (TG02)

>  <Target> (1,457)
CDK

>  <Form> (1,457)
free base

>  <CAS> (1,457)
937270-47-8

>  <URL> (1,457)
http://www.selleckchem.com/products/sb1317-tg02.html

$$$$

csChFnd80/09132309312D

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>  <Formula> (1,458)
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>  <Cat> (1,458)
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>  <Name> (1,458)
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>  <Target> (1,458)
FGFR

>  <Form> (1,458)
free base

>  <CAS> (1,458)
1637735-84-2

>  <URL> (1,458)
http://www.selleckchem.com/products/fiin-3.html

$$$$

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330572-32-2

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free base

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1432515-73-5

>  <URL> (1,460)
http://www.selleckchem.com/products/aki603.html

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2095849-04-8

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331770-21-9

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M  END
>  <Mol_ID> (1,463)
1464

>  <Formula> (1,463)
C23H21N3O3

>  <MolWeight> (1,463)
387.43114

>  <Cat> (1,463)
E0344

>  <Name> (1,463)
ErbB2 inhibitor

>  <Synonyms> (1,463)
N/A

>  <Target> (1,463)
Others

>  <Form> (1,463)
free base

>  <CAS> (1,463)
179248-61-4

>  <URL> (1,463)
http://www.selleckchem.com/products/erbb2-inhibitor.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,464)
1465

>  <Formula> (1,464)
C14H10N2O

>  <MolWeight> (1,464)
222.242

>  <Cat> (1,464)
E0381

>  <Name> (1,464)
(E/Z)-GSK-3¦Â inhibitor 1

>  <Synonyms> (1,464)
N/A

>  <Target> (1,464)
GSK-3

>  <Form> (1,464)
free base

>  <CAS> (1,464)
3367-88-2

>  <URL> (1,464)
http://www.selleckchem.com/products/e-z-gsk-3beta-inhibitor-1.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,465)
1466

>  <Formula> (1,465)
C13H7ClF2INO2

>  <MolWeight> (1,465)
409.5544564

>  <Cat> (1,465)
E0404

>  <Name> (1,465)
Zapnometinib (PD0184264)

>  <Synonyms> (1,465)
ATR-002

>  <Target> (1,465)
MEK

>  <Form> (1,465)
free base

>  <CAS> (1,465)
303175-44-2

>  <URL> (1,465)
http://www.selleckchem.com/products/zapnometinib-pd0184264.html

$$$$

csChFnd80/09132309312D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,466)
1467

>  <Formula> (1,466)
C16H10BrN3O2

>  <MolWeight> (1,466)
356.1735

>  <Cat> (1,466)
E0474

>  <Name> (1,466)
7BIO

>  <Synonyms> (1,466)
7-bromoindirubin-3-oxime

>  <Target> (1,466)
Others

>  <Form> (1,466)
free base

>  <CAS> (1,466)
916440-85-2

>  <URL> (1,466)
http://www.selleckchem.com/products/7bio.html

$$$$

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>  <Mol_ID> (1,467)
1468

>  <Formula> (1,467)
C27H25N3O4S2

>  <MolWeight> (1,467)
519.6351

>  <Cat> (1,467)
E0482

>  <Name> (1,467)
MP-A08

>  <Synonyms> (1,467)
N/A

>  <Target> (1,467)
Others

>  <Form> (1,467)
free base

>  <CAS> (1,467)
219832-49-2

>  <URL> (1,467)
http://www.selleckchem.com/products/mp-a08.html

$$$$

csChFnd80/09132309312D

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E0526

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sappanone A

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p38 MAPK

>  <Form> (1,468)
free base

>  <CAS> (1,468)
102067-84-5

>  <URL> (1,468)
http://www.selleckchem.com/products/sappanone-a.html

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csChFnd80/09132309312D

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C14H10N4O3

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282.2542

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E0533

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IRAK-4 protein kinase inhibitor 2

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free base

>  <CAS> (1,469)
301675-24-1

>  <URL> (1,469)
http://www.selleckchem.com/products/irak-4-protein-kinase-inhibitor-2.html

$$$$

csChFnd80/09132309312D

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1471

>  <Formula> (1,470)
C15H11BrN2O

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E0534

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WAY-340935

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VEGFR2-IN-2

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free base

>  <CAS> (1,470)
737818-56-3

>  <URL> (1,470)
http://www.selleckchem.com/products/way-340935.html

$$$$

csChFnd80/09132309312D

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1472

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C15H11ClN2OS

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E0535

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WAY-303290

>  <Synonyms> (1,471)
GluR6 antagonist-1

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free base

>  <CAS> (1,471)
323176-64-3

>  <URL> (1,471)
http://www.selleckchem.com/products/way-303290.html

$$$$

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>  <Formula> (1,472)
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>  <Name> (1,472)
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>  <Form> (1,472)
free base

>  <CAS> (1,472)
1135205-94-5

>  <URL> (1,472)
http://www.selleckchem.com/products/awl-ii-38-3.html

$$$$

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M  END
>  <Mol_ID> (1,473)
1474

>  <Formula> (1,473)
C13H16N2O2S

>  <MolWeight> (1,473)
264.34334

>  <Cat> (1,473)
E0626

>  <Name> (1,473)
AX 20017

>  <Target> (1,473)
Others

>  <Form> (1,473)
free base

>  <CAS> (1,473)
329221-38-7

>  <URL> (1,473)
http://www.selleckchem.com/products/ax-20017.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,474)
1475

>  <Formula> (1,474)
C24H32Cl3N7O

>  <MolWeight> (1,474)
540.91618

>  <Cat> (1,474)
E0647

>  <Name> (1,474)
(R)-CR8 trihydrochloride

>  <Target> (1,474)
CDK

>  <Form> (1,474)
Trihydrochloride

>  <CAS> (1,474)
1786438-30-9

>  <URL> (1,474)
http://www.selleckchem.com/products/r-cr8-trihydrochloride.html

$$$$

csChFnd80/09132309312D

 15 14  0  0  0  0  0  0  0  0999 V2000
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A   15
(E)
M  END
>  <Mol_ID> (1,475)
1476

>  <Formula> (1,475)
C10H10O4R

>  <MolWeight> (1,475)
194.184

>  <Cat> (1,475)
E0653

>  <Name> (1,475)
Trans-ferulic acid

>  <Target> (1,475)
AMPK

>  <Form> (1,475)
free base

>  <CAS> (1,475)
537-98-4

>  <URL> (1,475)
http://www.selleckchem.com/products/trans-ferulic-acid.html

$$$$

csChFnd80/09132309312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,476)
1477

>  <Formula> (1,476)
C16H11N3

>  <MolWeight> (1,476)
245.27864

>  <Cat> (1,476)
E0779

>  <Name> (1,476)
Paprotrain

>  <Form> (1,476)
free base

>  <CAS> (1,476)
57046-73-8

>  <URL> (1,476)
http://www.selleckchem.com/products/paprotrain.html

$$$$

csChFnd80/09132309312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,477)
1478

>  <Formula> (1,477)
C20H20BrNO2

>  <MolWeight> (1,477)
386.2823

>  <Cat> (1,477)
E0785

>  <Name> (1,477)
YS-49

>  <Target> (1,477)
PI3K

>  <Form> (1,477)
free base

>  <CAS> (1,477)
132836-42-1

>  <URL> (1,477)
http://www.selleckchem.com/products/ys-49.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,478)
1479

>  <Formula> (1,478)
C25H27NO

>  <MolWeight> (1,478)
357.48798

>  <Cat> (1,478)
E0786

>  <Name> (1,478)
N-Desmethyltamoxifen

>  <Target> (1,478)
PKC

>  <Form> (1,478)
free base

>  <CAS> (1,478)
31750-48-8

>  <URL> (1,478)
http://www.selleckchem.com/products/n-desmethyltamoxifen.html

$$$$

csChFnd80/09132309312D

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E0798

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WAY-119064

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free base

>  <CAS> (1,484)
1198098-03-1

>  <URL> (1,484)
http://www.selleckchem.com/products/way-119064.html

$$$$

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.
M  END
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1486

>  <Formula> (1,485)
C29H34N6O4RS2

>  <MolWeight> (1,485)
594.74806

>  <Cat> (1,485)
E0814

>  <Name> (1,485)
Masitinib mesylate

>  <Synonyms> (1,485)
AB-1010 mesylate

>  <Target> (1,485)
c-Kit

>  <Form> (1,485)
Mesylate

>  <CAS> (1,485)
1048007-93-7

>  <URL> (1,485)
http://www.selleckchem.com/products/masitinib-mesylate .html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,486)
1487

>  <Formula> (1,486)
C24H18ClFN4O2

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E0822

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AST-1306

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Allitinib

>  <Target> (1,486)
EGFR

>  <Form> (1,486)
free base

>  <CAS> (1,486)
897383-62-9

>  <URL> (1,486)
http://www.selleckchem.com/products/ast-1306.html

$$$$

csChFnd80/09132309312D

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>  <MolWeight> (1,487)
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E0833

>  <Name> (1,487)
O-Demethyl-Gefitinib

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EGFR

>  <Form> (1,487)
free base

>  <CAS> (1,487)
847949-49-9

>  <URL> (1,487)
http://www.selleckchem.com/products/o-demethyl-gefitinib.html

$$$$

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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1916    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7075    3.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0769    3.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5097    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5728    5.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2035    5.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8789    5.0285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0055    7.1093    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.0138    2.3654    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  2 10  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 14 20  1  0  0  0  0
 11 12  1  0  0  0  0
  3 11  2  0  0  0  0
  6 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,488)
1489

>  <Formula> (1,488)
C15H8Br2ClNO2

>  <MolWeight> (1,488)
429.49052

>  <Cat> (1,488)
E0934

>  <Name> (1,488)
Raf inhibitor 2

>  <Form> (1,488)
free base

>  <CAS> (1,488)
220904-99-4

>  <URL> (1,488)
http://www.selleckchem.com/products/raf-inhibitor-2.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,489)
1490

>  <Formula> (1,489)
C274H411N65O81S6

>  <MolWeight> (1,489)
6103.97204

>  <Cat> (1,489)
E0939

>  <Name> (1,489)
Insulin Degludec

>  <Target> (1,489)
IGF-1R

>  <Form> (1,489)
free base

>  <CAS> (1,489)
844439-96-9

>  <URL> (1,489)
http://www.selleckchem.com/products/insulin-degludec.html

$$$$

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csChFnd80/09132309312D

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 10 11  2  0  0  0  0
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 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,500)
1501

>  <Formula> (1,500)
C22H23ClN6O

>  <MolWeight> (1,500)
422.91062

>  <Cat> (1,500)
E2201

>  <Name> (1,500)
N-piperidine Ibrutinib hydrochloride

>  <Form> (1,500)
hydrochloride

>  <CAS> (1,500)
2231747-18-3

>  <URL> (1,500)
http://www.selleckchem.com/products/n-piperidine-ibrutinib-hydrochloride.html

$$$$

csChFnd80/09132309312D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.4286    4.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,501)
1502

>  <Formula> (1,501)
C19H20ClN5

>  <MolWeight> (1,501)
353.8486

>  <Cat> (1,501)
E2202

>  <Name> (1,501)
1-Naphthyl PP1 hydrochloride

>  <Synonyms> (1,501)
1-NA-PP 1 hydrochloride

>  <Form> (1,501)
hydrochloride

>  <CAS> (1,501)
956025-47-1

>  <URL> (1,501)
http://www.selleckchem.com/products/1-naphthyl-pp1-hydrochloride.html

$$$$

csChFnd80/09132309312D

 29 33  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  6  0  0  0
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M  END
>  <Mol_ID> (1,502)
1503

>  <Formula> (1,502)
C22H22N6O

>  <MolWeight> (1,502)
386.44968

>  <Cat> (1,502)
E2250

>  <Name> (1,502)
IBT6A

>  <Form> (1,502)
free base

>  <CAS> (1,502)
1022150-12-4

>  <URL> (1,502)
http://www.selleckchem.com/products/ibt6a.html

$$$$

csChFnd80/09132309312D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,503)
1504

>  <Formula> (1,503)
C5H3N5O2S3

>  <MolWeight> (1,503)
261.30462

>  <Cat> (1,503)
E2252

>  <Name> (1,503)
SU3327

>  <Form> (1,503)
free base

>  <CAS> (1,503)
40045-50-9

>  <URL> (1,503)
http://www.selleckchem.com/products/su3327.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,509)
1510

>  <Formula> (1,509)
C31H27IN4S

>  <MolWeight> (1,509)
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>  <Cat> (1,509)
E2384

>  <Name> (1,509)
(E)-Akt inhibitor-IV

>  <Form> (1,509)
free base

>  <CAS> (1,509)
959841-49-7

>  <URL> (1,509)
http://www.selleckchem.com/products/-e--akt-inhibitor-iv.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,510)
1511

>  <Formula> (1,510)
C14H17ClN2O2

>  <MolWeight> (1,510)
280.74998

>  <Cat> (1,510)
E2385

>  <Name> (1,510)
SAR407899 hydrochloride

>  <Target> (1,510)
Rho

>  <Form> (1,510)
hydrochloride

>  <CAS> (1,510)
923262-96-8

>  <URL> (1,510)
http://www.selleckchem.com/products/sar407899-hydrochloride.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,511)
1512

>  <Formula> (1,511)
C24H28N4O4S

>  <MolWeight> (1,511)
468.56852

>  <Cat> (1,511)
E2388

>  <Name> (1,511)
PKR-IN-2

>  <Form> (1,511)
free base

>  <CAS> (1,511)
1628428-01-2

>  <URL> (1,511)
http://www.selleckchem.com/products/pkr-in-2.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,512)
1513

>  <Formula> (1,512)
C15H13N3O6

>  <MolWeight> (1,512)
331.28022

>  <Cat> (1,512)
E2390

>  <Name> (1,512)
Thalidomide-5-NH2-CH2-COOH

>  <Form> (1,512)
free base

>  <CAS> (1,512)
2412056-27-8

>  <URL> (1,512)
http://www.selleckchem.com/products/thalidomide-5-nh2-ch2-cooh.html

$$$$

csChFnd80/09132309312D

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1514

>  <Formula> (1,513)
C18H16FN3O2

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>  <Name> (1,513)
JNJ-10198409

>  <Target> (1,513)
PDGFR

>  <Form> (1,513)
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>  <CAS> (1,513)
627518-40-5

>  <URL> (1,513)
http://www.selleckchem.com/products/jnj-10198409.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,514)
1515

>  <Formula> (1,514)
C17H12FN3O

>  <MolWeight> (1,514)
293.2950832

>  <Cat> (1,514)
E2396

>  <Name> (1,514)
STK16-IN-1

>  <Form> (1,514)
free base

>  <CAS> (1,514)
1223001-53-3

>  <URL> (1,514)
http://www.selleckchem.com/products/stk16-in-1.html

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.
M  END
>  <Mol_ID> (1,515)
1516

>  <Formula> (1,515)
C31H31N5O6RS3

>  <MolWeight> (1,515)
665.80274

>  <Cat> (1,515)
E2402

>  <Name> (1,515)
T-1101 tosylate

>  <Synonyms> (1,515)
TAI-95 tosylate

>  <Target> (1,515)
Microtubule Associat

>  <Form> (1,515)
tosylate

>  <CAS> (1,515)
2250404-95-4

>  <URL> (1,515)
http://www.selleckchem.com/products/t-1101-tosylate.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,516)
1517

>  <Formula> (1,516)
C27H23F2N7O3

>  <MolWeight> (1,516)
531.5134264

>  <Cat> (1,516)
E2505

>  <Name> (1,516)
TBAP-001

>  <Synonyms> (1,516)
Synthesis 13

>  <Target> (1,516)
Others

>  <Form> (1,516)
free base

>  <CAS> (1,516)
1777832-90-2

>  <URL> (1,516)
http://www.selleckchem.com/products/tbap-001.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,517)
1518

>  <Formula> (1,517)
C12H14Cl2N2O2S

>  <MolWeight> (1,517)
321.22276

>  <Cat> (1,517)
E2506

>  <Name> (1,517)
A-3 hydrochloride

>  <Form> (1,517)
hydrochloride

>  <CAS> (1,517)
78957-85-4

>  <URL> (1,517)
http://www.selleckchem.com/products/a-3-hydrochloride.html

$$$$

csChFnd80/09132309312D

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E2509

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404360-27-6

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http://www.selleckchem.com/products/way-297848.html

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csChFnd80/09132309312D

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WAY-301398

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6-methoxynaphthalene

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free base

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312607-68-4

>  <URL> (1,519)
http://www.selleckchem.com/products/way-301398.html

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csChFnd80/09132309312D

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C18H12N2O3

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free base

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591239-68-8

>  <URL> (1,520)
http://www.selleckchem.com/products/zinc05007751.html

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1522

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C15H15N3O2S

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free base

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298207-49-5

>  <URL> (1,521)
http://www.selleckchem.com/products/way-297342.html

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 23 25  0  0  0  0  0  0  0  0999 V2000
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C17H15N3O2S

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692869-38-8

>  <URL> (1,522)
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1524

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68573-24-0

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C16H12FN3S

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p38 MAPK

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72873-74-6

>  <URL> (1,524)
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164658-13-3

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2196204-23-4

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2300982-44-7

>  <URL> (1,530)
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1093100-40-3

>  <URL> (1,531)
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M  END
>  <Mol_ID> (1,533)
1534

>  <Formula> (1,533)
C23H14Na2O6

>  <MolWeight> (1,533)
432.3332

>  <Cat> (1,533)
E2660

>  <Name> (1,533)
Pamoic acid disodium

>  <Form> (1,533)
disodium salt

>  <CAS> (1,533)
6640-22-8

>  <URL> (1,533)
http://www.selleckchem.com/products/pamoic-acid-disodium.html

$$$$

csChFnd80/09132309312D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,534)
1535

>  <Formula> (1,534)
C12H24N2O9

>  <MolWeight> (1,534)
340.32696

>  <Cat> (1,534)
E2661

>  <Name> (1,534)
Chitosan oligosaccharide

>  <Synonyms> (1,534)
COS

>  <Form> (1,534)
free base

>  <CAS> (1,534)
148411-57-8

>  <URL> (1,534)
http://www.selleckchem.com/products/chitosan-oligosaccharide.html

$$$$

csChFnd80/09132309312D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,535)
1536

>  <Formula> (1,535)
C9H4Cl2O2S

>  <MolWeight> (1,535)
247.09786

>  <Cat> (1,535)
E2663

>  <Name> (1,535)
BT2

>  <Form> (1,535)
free base

>  <CAS> (1,535)
34576-94-8

>  <URL> (1,535)
http://www.selleckchem.com/products/bt2.html

$$$$

csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,536)
1537

>  <Formula> (1,536)
C17H15NO4

>  <MolWeight> (1,536)
297.3053

>  <Cat> (1,536)
E2682

>  <Name> (1,536)
RPI-1

>  <Target> (1,536)
JNK

>  <Form> (1,536)
free base

>  <CAS> (1,536)
269730-03-2

>  <URL> (1,536)
http://www.selleckchem.com/products/rpi-1.html

$$$$

csChFnd80/09132309312D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,537)
1538

>  <Formula> (1,537)
C17H15ClO2

>  <MolWeight> (1,537)
286.7528

>  <Cat> (1,537)
E2816

>  <Name> (1,537)
PS47

>  <Form> (1,537)
free base

>  <CAS> (1,537)
1180676-33-8

>  <URL> (1,537)
http://www.selleckchem.com/products/ps47.html

$$$$

csChFnd80/09132309312D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,538)
1539

>  <Formula> (1,538)
C20H20N4O4

>  <MolWeight> (1,538)
380.3972

>  <Cat> (1,538)
E2817

>  <Name> (1,538)
GRK5-IN-2

>  <Form> (1,538)
free base

>  <CAS> (1,538)
1642839-27-7

>  <URL> (1,538)
http://www.selleckchem.com/products/grk5-in-2.html

$$$$

csChFnd80/09132309312D

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1540

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C16H12O6

>  <MolWeight> (1,539)
300.26288

>  <Cat> (1,539)
E2826

>  <Name> (1,539)
Hematein

>  <Target> (1,539)
Casein Kinase

>  <Form> (1,539)
free base

>  <CAS> (1,539)
475-25-2

>  <URL> (1,539)
http://www.selleckchem.com/products/hematein.html

$$$$

csChFnd80/09132309312D

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1541

>  <Formula> (1,540)
C16H16O5

>  <MolWeight> (1,540)
288.29524

>  <Cat> (1,540)
E2829

>  <Name> (1,540)
Alkannin

>  <Target> (1,540)
PKM

>  <Form> (1,540)
free base

>  <CAS> (1,540)
517-88-4

>  <URL> (1,540)
http://www.selleckchem.com/products/alkannin.html

$$$$

csChFnd80/09132309312D

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>  <Formula> (1,541)
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>  <MolWeight> (1,541)
447.5046432

>  <Cat> (1,541)
E2838

>  <Name> (1,541)
TL-895

>  <Form> (1,541)
free base

>  <CAS> (1,541)
1415823-49-2

>  <URL> (1,541)
http://www.selleckchem.com/products/tl-895.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,542)
1543

>  <Formula> (1,542)
C38H74N18O10

>  <MolWeight> (1,542)
943.10876

>  <Cat> (1,542)
P1153

>  <Name> (1,542)
PKG inhibitor peptide

>  <Form> (1,542)
free base

>  <CAS> (1,542)
82801-73-8

>  <URL> (1,542)
http://www.selleckchem.com/products/pkg-inhibitor-peptide.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,543)
1544

>  <Formula> (1,543)
C53H100N20O12

>  <MolWeight> (1,543)
1209.4879

>  <Cat> (1,543)
P1154

>  <Name> (1,543)
PKI 14-22 amide,myristoylated

>  <Form> (1,543)
free base

>  <CAS> (1,543)
201422-03-9

>  <URL> (1,543)
http://www.selleckchem.com/products/pki-14-22-amide-myristoylated.html

$$$$
>  <Mol_ID> (1,544)
1545

>  <Cat> (1,544)
P1159

>  <Name> (1,544)
Autocamtide 2, amide

>  <Form> (1,544)
free base

>  <URL> (1,544)
http://www.selleckchem.com/products/autocamtide-2-amide.html

$$$$

csChFnd80/09132309312D

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¦Å-V1-2

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182683-50-7

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http://www.selleckchem.com/products/epsilon-v1-2.html

$$$$

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1547

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C21H42N6O5

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free base

>  <CAS> (1,546)
283609-79-0

>  <URL> (1,546)
http://www.selleckchem.com/products/lskl--Inhibitor-of-thrombospondin--tsp-1--tfa-.html

$$$$
>  <Mol_ID> (1,547)
1548

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P1167

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pm26TGF-¦Â1 peptide (TFA)

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free base

>  <URL> (1,547)
http://www.selleckchem.com/products/pm26tgf-beta1-peptide--tfa-.html

$$$$

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272105-42-7

>  <URL> (1,548)
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csChFnd80/09132309312D

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free base

>  <CAS> (1,549)
3316-02-7

>  <URL> (1,549)
http://www.selleckchem.com/products/zeta-stat-nsc37044-.html

$$$$

csChFnd80/09132309312D

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509.42694

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>  <Name> (1,550)
MK2-IN-1 hydrochloride

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MAPKAPK2

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hydrochloride

>  <CAS> (1,550)
1314118-94-9

>  <URL> (1,550)
http://www.selleckchem.com/products/mk2-in-1-hydrochloride-.html

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>  <Formula> (1,551)
C20H28O3

>  <MolWeight> (1,551)
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>  <Cat> (1,551)
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>  <Name> (1,551)
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>  <Synonyms> (1,551)
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>  <Target> (1,551)
PI3K

>  <Form> (1,551)
free base

>  <CAS> (1,551)
469-83-0

>  <URL> (1,551)
http://www.selleckchem.com/products/cafestol.html

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>  <Mol_ID> (1,552)
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>  <Formula> (1,552)
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>  <MolWeight> (1,552)
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>  <Cat> (1,552)
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>  <Name> (1,552)
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>  <Synonyms> (1,552)
BGB324

>  <Target> (1,552)
Axl

>  <Form> (1,552)
free base

>  <CAS> (1,552)
1037624-75-1

>  <URL> (1,552)
http://www.selleckchem.com/products/r428.html

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>  <Mol_ID> (1,553)
1554

>  <Formula> (1,553)
C33H33N9O2

>  <MolWeight> (1,553)
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>  <Cat> (1,553)
S7101

>  <Name> (1,553)
SCH772984

>  <Synonyms> (1,553)
N/A

>  <Target> (1,553)
ERK

>  <Form> (1,553)
free base

>  <CAS> (1,553)
942183-80-4

>  <URL> (1,553)
http://www.selleckchem.com/products/sch772984.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,554)
1555

>  <Formula> (1,554)
C22H27ClFN7O4S

>  <MolWeight> (1,554)
540.0106832

>  <Cat> (1,554)
S7108

>  <Name> (1,554)
Encorafenib (LGX818)

>  <Synonyms> (1,554)
N/A

>  <Target> (1,554)
Raf

>  <Form> (1,554)
free base

>  <CAS> (1,554)
1269440-17-6

>  <URL> (1,554)
http://www.selleckchem.com/products/lgx818.html

$$$$

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>  <Formula> (1,555)
C17H19F3N6O

>  <MolWeight> (1,555)
380.3675696

>  <Cat> (1,555)
S8162

>  <Name> (1,555)
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>  <Synonyms> (1,555)
N/A

>  <Target> (1,555)
JAK

>  <Form> (1,555)
free base

>  <CAS> (1,555)
1310726-60-3

>  <URL> (1,555)
http://www.selleckchem.com/products/upadacitinib.html

$$$$

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M  END
>  <Mol_ID> (1,556)
1557

>  <Formula> (1,556)
C32H30F2N4O4

>  <MolWeight> (1,556)
572.6018064

>  <Cat> (1,556)
S8381

>  <Name> (1,556)
BMS-986142

>  <Synonyms> (1,556)
N/A

>  <Target> (1,556)
BTK

>  <Form> (1,556)
free base

>  <CAS> (1,556)
1643368-58-4

>  <URL> (1,556)
http://www.selleckchem.com/products/bms-986142.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,557)
1558

>  <Formula> (1,557)
C37H44N8O4

>  <MolWeight> (1,557)
664.79646

>  <Cat> (1,557)
S8421

>  <Name> (1,557)
Fenebrutinib (GDC-0853)

>  <Synonyms> (1,557)
N/A

>  <Target> (1,557)
BTK

>  <Form> (1,557)
free base

>  <CAS> (1,557)
1434048-34-6

>  <URL> (1,557)
http://www.selleckchem.com/products/fenebrutinib-gdc-0853.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,558)
1559

>  <Formula> (1,558)
C26H27FN10

>  <MolWeight> (1,558)
498.5579832

>  <Cat> (1,558)
S8553

>  <Name> (1,558)
Avapritinib (BLU-285)

>  <Synonyms> (1,558)
N/A

>  <Target> (1,558)
PDGFR

>  <Form> (1,558)
free base

>  <CAS> (1,558)
1703793-34-3

>  <URL> (1,558)
http://www.selleckchem.com/products/blu-285.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,559)
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N/A

>  <Target> (1,559)
CDK

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free base

>  <CAS> (1,559)
2057509-72-3

>  <URL> (1,559)
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>  <Formula> (1,560)
C17H18N4O3S

>  <MolWeight> (1,560)
358.41482

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S8809

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MC180295

>  <Synonyms> (1,560)
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>  <Target> (1,560)
CDK

>  <Form> (1,560)
free base

>  <CAS> (1,560)
2237942-08-2

>  <URL> (1,560)
http://www.selleckchem.com/products/mc180295.html

$$$$

csChFnd80/09132309312D

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>  <Formula> (1,561)
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>  <MolWeight> (1,561)
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S8832

>  <Name> (1,561)
Branebrutinib (BMS-986195)

>  <Synonyms> (1,561)
N/A

>  <Target> (1,561)
BTK

>  <Form> (1,561)
free base

>  <CAS> (1,561)
1912445-55-6

>  <URL> (1,561)
http://www.selleckchem.com/products/branebrutinib.html

$$$$

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>  <Mol_ID> (1,562)
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>  <Formula> (1,562)
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HER2

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free base

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2088323-16-2

>  <URL> (1,562)
http://www.selleckchem.com/products/tas0728.html

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M  ISO  1  32   2
M  ISO  1  33   2
M  ISO  1  34   2
M  END
>  <Mol_ID> (1,563)
1564

>  <Formula> (1,563)
C20H19D3N8O3

>  <MolWeight> (1,563)
425.458965334

>  <Cat> (1,563)
S8879

>  <Name> (1,563)
Deucravacitinib (BMS-986165)

>  <Synonyms> (1,563)
N/A

>  <Target> (1,563)
JAK

>  <Form> (1,563)
free base

>  <CAS> (1,563)
1609392-27-9

>  <URL> (1,563)
http://www.selleckchem.com/products/bms-986165.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,564)
1565

>  <Formula> (1,564)
C18H21Cl2N7O2

>  <MolWeight> (1,564)
438.31104

>  <Cat> (1,564)
S7178

>  <Name> (1,564)
Prexasertib HCl (LY2606368)

>  <Synonyms> (1,564)
N/A

>  <Target> (1,564)
Chk

>  <Form> (1,564)
dihydroch

>  <CAS> (1,564)
1234015-54-3

>  <URL> (1,564)
http://www.selleckchem.com/products/ly2606368.html

$$$$

csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,565)
1566

>  <Formula> (1,565)
C13H8Cl2N4OS

>  <MolWeight> (1,565)
339.19982

>  <Cat> (1,565)
S0006

>  <Name> (1,565)
BTdCPU

>  <Synonyms> (1,565)
N/A

>  <Target> (1,565)
PERK

>  <Form> (1,565)
Free base

>  <CAS> (1,565)
1257423-87-2

>  <URL> (1,565)
http://www.selleckchem.com/products/btdcpu.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,566)
1567

>  <Formula> (1,566)
C11H8N2O4

>  <MolWeight> (1,566)
232.19222

>  <Cat> (1,566)
S7614

>  <Name> (1,566)
MHY-1685

>  <Target> (1,566)
mTOR

>  <Form> (1,566)
Free base

>  <CAS> (1,566)
27406-31-1

>  <URL> (1,566)
http://www.selleckchem.com/products/mhy-1685.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,567)
1568

>  <Formula> (1,567)
C19H21ClF3N5O2

>  <MolWeight> (1,567)
443.8505496

>  <Cat> (1,567)
S7682

>  <Name> (1,567)
SAR405

>  <Synonyms> (1,567)
N/A

>  <Target> (1,567)
PI3K

>  <Form> (1,567)
Free base

>  <CAS> (1,567)
1523406-39-4

>  <URL> (1,567)
http://www.selleckchem.com/products/sar405.html

$$$$

csChFnd80/09132309312D

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>  <URL> (1,568)
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>  <Formula> (1,569)
C19H15ClN4O2

>  <MolWeight> (1,569)
366.801

>  <Cat> (1,569)
S7736

>  <Name> (1,569)
MLN120B

>  <Synonyms> (1,569)
ML120B

>  <Target> (1,569)
I¦ÊB/IKK

>  <Form> (1,569)
Free base

>  <CAS> (1,569)
783348-36-7

>  <URL> (1,569)
http://www.selleckchem.com/products/mln120b.html

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>  <Formula> (1,570)
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>  <MolWeight> (1,570)
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>  <Cat> (1,570)
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>  <Name> (1,570)
Phorbol 12-myristate 13-acetate (PMA)

>  <Synonyms> (1,570)
12-O-Tetradecanoylphorbol-13-acetate,TPA, Phorbol myristate acetate

>  <Target> (1,570)
PKC

>  <Form> (1,570)
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>  <URL> (1,570)
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PKC

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120685-11-2

>  <URL> (1,572)
http://www.selleckchem.com/products/midostaurin-pkc412.html

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1276121-88-0

>  <URL> (1,573)
http://www.selleckchem.com/products/pf-3644022.html

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>  <CAS> (1,574)
1783816-74-9

>  <URL> (1,574)
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1792999-26-8

>  <URL> (1,575)
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1142363-52-7

>  <URL> (1,576)
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1817626-54-2

>  <URL> (1,577)
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EGFR

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2230821-27-7

>  <URL> (1,579)
http://www.selleckchem.com/products/gefitinib-based-protac-3.html

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>  <Formula> (1,580)
C21H24N8O

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404.46826

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S0177

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XMD17-51

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AMPK

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Free base

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1628614-50-5

>  <URL> (1,580)
http://www.selleckchem.com/products/xmd-17-51.html

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>  <Formula> (1,581)
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S0371

>  <Name> (1,581)
(1E)-CFI-400437 dihydrochloride

>  <Synonyms> (1,581)
N/A

>  <Target> (1,581)
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>  <CAS> (1,581)
1247000-76-5

>  <URL> (1,581)
http://www.selleckchem.com/products/cfi-400437.html

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2095719-92-7

>  <URL> (1,586)
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IGF-1R

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>  <CAS> (1,587)
475489-16-8

>  <URL> (1,587)
http://www.selleckchem.com/products/NVP-AEW541.html

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319460-94-1

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AV-412 free base

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MP-412 free base

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EGFR

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>  <CAS> (1,589)
451492-95-8

>  <URL> (1,589)
http://www.selleckchem.com/products/av-412-free-base.html

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S2758

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>  <Synonyms> (1,590)
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>  <Target> (1,590)
PI3K

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>  <CAS> (1,590)
19545-26-7

>  <URL> (1,590)
http://www.selleckchem.com/products/wortmannin.html

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1592

>  <Formula> (1,591)
C16H19N5O

>  <MolWeight> (1,591)
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S3522

>  <Name> (1,591)
2OH-BNPP1

>  <Synonyms> (1,591)
N/A

>  <Target> (1,591)
Serine/threonin kina

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Free base

>  <CAS> (1,591)
833481-73-5

>  <URL> (1,591)
http://www.selleckchem.com/products/2oh-bnpp1.html

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>  <Formula> (1,592)
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>  <MolWeight> (1,592)
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CSF-1R

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>  <CAS> (1,592)
1041852-85-0

>  <URL> (1,592)
http://www.selleckchem.com/products/azd7507.html

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>  <Formula> (1,593)
C30H41F3N8O11S3

>  <MolWeight> (1,593)
842.8837496

>  <Cat> (1,593)
S5984

>  <Name> (1,593)
AST5902  trimesylate

>  <Synonyms> (1,593)
N/A

>  <Target> (1,593)
Others

>  <Form> (1,593)
Trimesylate

>  <CAS> (1,593)
2412155-74-7

>  <URL> (1,593)
http://www.selleckchem.com/products/ast5902.html

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csChFnd80/09132309312D

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>  <Mol_ID> (1,594)
1595

>  <Formula> (1,594)
C18H19N7O2

>  <MolWeight> (1,594)
365.38916

>  <Cat> (1,594)
S6385

>  <Name> (1,594)
Prexasertib (LY2606368)

>  <Synonyms> (1,594)
ACR 368

>  <Target> (1,594)
Chk

>  <Form> (1,594)
Free base

>  <CAS> (1,594)
1234015-52-1

>  <URL> (1,594)
http://www.selleckchem.com/products/prexasertib-ly2606368.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,595)
1596

>  <Formula> (1,595)
C26H22FN7O3

>  <MolWeight> (1,595)
499.4963832

>  <Cat> (1,595)
S6621

>  <Name> (1,595)
CCG215022

>  <Synonyms> (1,595)
N/A

>  <Target> (1,595)
GRK

>  <Form> (1,595)
Free base

>  <CAS> (1,595)
1813527-81-9

>  <URL> (1,595)
http://www.selleckchem.com/products/ccg215022.html

$$$$

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>  <Formula> (1,596)
C28H28N6O4

>  <MolWeight> (1,596)
512.55972

>  <Cat> (1,596)
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>  <Name> (1,596)
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>  <Synonyms> (1,596)
N/A

>  <Target> (1,596)
MPS1

>  <Form> (1,596)
Free base

>  <CAS> (1,596)
1618658-88-0

>  <URL> (1,596)
http://www.selleckchem.com/products/cc-671.html

$$$$

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M  END
>  <Mol_ID> (1,597)
1598

>  <Formula> (1,597)
C18H16FN3O

>  <MolWeight> (1,597)
309.3375432

>  <Cat> (1,597)
S6789

>  <Name> (1,597)
JAK Inhibitor I (Pyridone 6)

>  <Synonyms> (1,597)
CMP 6, Compound 6

>  <Target> (1,597)
JAK

>  <Form> (1,597)
Free base

>  <CAS> (1,597)
457081-03-7

>  <URL> (1,597)
http://www.selleckchem.com/products/jak-inhibitor-i.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,598)
1599

>  <Formula> (1,598)
C29H40N6O

>  <MolWeight> (1,598)
488.6675

>  <Cat> (1,598)
S6839

>  <Name> (1,598)
MRX-2843

>  <Synonyms> (1,598)
UNC2371

>  <Target> (1,598)
Mertk

>  <Form> (1,598)
Free base

>  <CAS> (1,598)
1429882-07-4

>  <URL> (1,598)
http://www.selleckchem.com/products/mrx-2843.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,599)
1600

>  <Formula> (1,599)
C30H30F3N5O

>  <MolWeight> (1,599)
533.5873096

>  <Cat> (1,599)
S6840

>  <Name> (1,599)
OSU-T315

>  <Synonyms> (1,599)
ILK-IN-2

>  <Target> (1,599)
Integrin

>  <Form> (1,599)
Free base

>  <CAS> (1,599)
2070015-22-2

>  <URL> (1,599)
http://www.selleckchem.com/products/osu-t315.html

$$$$

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 39 40  1  0  0  0  0
 40 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,600)
1601

>  <Formula> (1,600)
C30H28Cl2FN5O3

>  <MolWeight> (1,600)
596.4794232

>  <Cat> (1,600)
S6897

>  <Name> (1,600)
Epertinib hydrochloride

>  <Synonyms> (1,600)
Epertinib HCl, S-222611 hydrochloride, S-222611 HCl

>  <Target> (1,600)
EGFR

>  <Form> (1,600)
Hydrochloride

>  <CAS> (1,600)
2071195-74-7

>  <URL> (1,600)
http://www.selleckchem.com/products/epertinib-hydrochloride.html

$$$$

csChFnd80/09132309312D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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 15 16  2  0  0  0  0
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 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
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 27 28  1  0  0  0  0
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 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,601)
1602

>  <Formula> (1,601)
C21H18ClFN6O2

>  <MolWeight> (1,601)
440.8580232

>  <Cat> (1,601)
S7554

>  <Name> (1,601)
Ravoxertinib (GDC-0994)

>  <Synonyms> (1,601)
N/A

>  <Target> (1,601)
ERK

>  <Form> (1,601)
Free base

>  <CAS> (1,601)
1453848-26-4

>  <URL> (1,601)
http://www.selleckchem.com/products/gdc-0994.html

$$$$

csChFnd80/09132309312D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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 11  7  1  0  0  0  0
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 17 12  1  0  0  0  0
 14 18  2  0  0  0  0
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 20 15  1  0  0  0  0
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  5 22  1  0  0  0  0
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M  END
>  <Mol_ID> (1,602)
1603

>  <Formula> (1,602)
C20H21FN6O

>  <MolWeight> (1,602)
380.4187432

>  <Cat> (1,602)
S8636

>  <Name> (1,602)
Selitrectinib (LOXO-195)

>  <Synonyms> (1,602)
BAY 2731954

>  <Target> (1,602)
Trk receptor

>  <Form> (1,602)
Free base

>  <CAS> (1,602)
2097002-61-2

>  <URL> (1,602)
http://www.selleckchem.com/products/loxo-195.html

$$$$

csChFnd80/09132309312D

 36 40  0  0  0  0  0  0  0  0999 V2000
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 32 33  1  0  0  0  0
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 13 35  2  0  0  0  0
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M  END
>  <Mol_ID> (1,603)
1604

>  <Formula> (1,603)
C24H24F2N8O2

>  <MolWeight> (1,603)
494.4965664

>  <Cat> (1,603)
S8708

>  <Name> (1,603)
AZD0364 (ATG-017)

>  <Synonyms> (1,603)
N/A

>  <Target> (1,603)
ERK

>  <Form> (1,603)
Free base

>  <CAS> (1,603)
2097416-76-5

>  <URL> (1,603)
http://www.selleckchem.com/products/azd0364.html

$$$$

csChFnd80/09132309312D

 39 43  0  0  0  0  0  0  0  0999 V2000
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 36 32  2  0  0  0  0
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M  END
>  <Mol_ID> (1,604)
1605

>  <Formula> (1,604)
C27H32FN9O2

>  <MolWeight> (1,604)
533.6004832

>  <Cat> (1,604)
S8716

>  <Name> (1,604)
Pralsetinib (BLU-667)

>  <Synonyms> (1,604)
CS 3009, Gavreto

>  <Target> (1,604)
c-RET

>  <Form> (1,604)
Free base

>  <CAS> (1,604)
2097132-94-8

>  <URL> (1,604)
http://www.selleckchem.com/products/blu-667.html

$$$$

csChFnd80/09132309312D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,605)
1606

>  <Formula> (1,605)
C22H31ClN6O

>  <MolWeight> (1,605)
430.97414

>  <Cat> (1,605)
S8722

>  <Name> (1,605)
Samuraciclib hydrochloride (ICEC0942 hydrochloride)

>  <Synonyms> (1,605)
CT7001 hydrochloride

>  <Target> (1,605)
CDK

>  <Form> (1,605)
Hydrochloride

>  <CAS> (1,605)
1805789-54-1

>  <URL> (1,605)
http://www.selleckchem.com/products/icec0942-hydrochloride.html

$$$$

csChFnd80/09132309312D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,606)
1607

>  <Formula> (1,606)
C24H26ClF2N5O2

>  <MolWeight> (1,606)
489.9453464

>  <Cat> (1,606)
S8782

>  <Name> (1,606)
LY3295668

>  <Synonyms> (1,606)
AK-01

>  <Target> (1,606)
Aurora Kinase

>  <Form> (1,606)
Free base

>  <CAS> (1,606)
1919888-06-4

>  <URL> (1,606)
http://www.selleckchem.com/products/ly3295668.html

$$$$

csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,607)
1608

>  <Formula> (1,607)
C28H33N7O3

>  <MolWeight> (1,607)
515.60672

>  <Cat> (1,607)
S8863

>  <Name> (1,607)
YKL-5-124

>  <Synonyms> (1,607)
N/A

>  <Target> (1,607)
CDK

>  <Form> (1,607)
Free base

>  <CAS> (1,607)
1957203-01-8

>  <URL> (1,607)
http://www.selleckchem.com/products/ykl5-124.html

$$$$

csChFnd80/09132309312D

 37 41  0  0  0  0  0  0  0  0999 V2000
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1330782-76-7

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M  END
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>  <Formula> (1,611)
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>  <MolWeight> (1,611)
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>  <Cat> (1,611)
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>  <Name> (1,611)
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>  <Synonyms> (1,611)
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>  <Target> (1,611)
I¦ÊB/IKK

>  <Form> (1,611)
Free base

>  <CAS> (1,611)
2409479-29-2

>  <URL> (1,611)
http://www.selleckchem.com/products/bay-985.html

$$$$

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M  END
>  <Mol_ID> (1,612)
1613

>  <Formula> (1,612)
C34H36F3NO13

>  <MolWeight> (1,612)
723.6437496

>  <Cat> (1,612)
S9522

>  <Name> (1,612)
Valrubicin

>  <Synonyms> (1,612)
N/A

>  <Target> (1,612)
PKC

>  <Form> (1,612)
Free base

>  <CAS> (1,612)
56124-62-0

>  <URL> (1,612)
http://www.selleckchem.com/products/valrubicin.html

$$$$

csChFnd80/09132309312D

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>  <Mol_ID> (1,613)
1614

>  <Formula> (1,613)
C20H23N3O

>  <MolWeight> (1,613)
321.41612

>  <Cat> (1,613)
S9638

>  <Name> (1,613)
BRD0705

>  <Synonyms> (1,613)
N/A

>  <Target> (1,613)
GSK-3

>  <Form> (1,613)
Free base

>  <CAS> (1,613)
2056261-41-5

>  <URL> (1,613)
http://www.selleckchem.com/products/brd0705.html

$$$$

csChFnd80/09132309312D

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M  END
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1615

>  <Formula> (1,614)
C16H14FN5O2

>  <MolWeight> (1,614)
327.3130632

>  <Cat> (1,614)
S9650

>  <Name> (1,614)
LY3143921 hydrate

>  <Synonyms> (1,614)
N/A

>  <Target> (1,614)
CDK

>  <Form> (1,614)
Hydrate

>  <CAS> (1,614)
1627696-53-0

>  <URL> (1,614)
http://www.selleckchem.com/products/ly3143921-hydrate.html

$$$$

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C57H73FN10O11S2

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S9672

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PROTAC SGK3 degrader-1

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SGK3-PROTAC1

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SGK

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2381320-35-8

>  <URL> (1,615)
http://www.selleckchem.com/products/protac-sgk3-degrader-1.html

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C20H17N9

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Ropsacitinib (PF-06826647)

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Tyk2-IN-8, compound 10

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JAK

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Free base

>  <CAS> (1,616)
2127109-84-4

>  <URL> (1,616)
http://www.selleckchem.com/products/pf-06826647.html

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1618

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C22H21F4N5O3

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S9825

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Pirtobrutinib (LOXO-305)

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LY 3527727, RXC-005

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2101700-15-4

>  <URL> (1,617)
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  2  8  1  0  0  0  0
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  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13  7  1  1  0  0  0
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M  END
>  <Mol_ID> (1,618)
1619

>  <Formula> (1,618)
C16H27Cl2N5

>  <MolWeight> (1,618)
360.32508

>  <Cat> (1,618)
S9901

>  <Name> (1,618)
KB-0742 Dihydrochloride

>  <Synonyms> (1,618)
N/A

>  <Target> (1,618)
CDK

>  <Form> (1,618)
Dihydrochloride

>  <CAS> (1,618)
2416874-75-2

>  <URL> (1,618)
http://www.selleckchem.com/products/kb-0742-dihydrochloride.html

$$$$

csChFnd80/09132309312D

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 45 37  1  0  0  0  0
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M  END
>  <Mol_ID> (1,619)
1620

>  <Formula> (1,619)
C36H40FN9O3

>  <MolWeight> (1,619)
665.7597032

>  <Cat> (1,619)
S9944

>  <Name> (1,619)
PRN1008

>  <Synonyms> (1,619)
Rilzabrutinib

>  <Target> (1,619)
BTK

>  <Form> (1,619)
Free base

>  <CAS> (1,619)
1575596-29-0

>  <URL> (1,619)
http://www.selleckchem.com/products/prn-008.html

$$$$

csChFnd80/09132309312D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,620)
1621

>  <Formula> (1,620)
C26H25N5O3

>  <MolWeight> (1,620)
455.5084

>  <Cat> (1,620)
E0041

>  <Name> (1,620)
Tolebrutinib (SAR442168)

>  <Synonyms> (1,620)
PRN2246

>  <Target> (1,620)
BTK

>  <Form> (1,620)
Free base

>  <CAS> (1,620)
1971920-73-6

>  <URL> (1,620)
http://www.selleckchem.com/products/tolebrutinib-sar442168.html

$$$$

csChFnd80/09132309312D

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p38 MAPK

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444606-18-2

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2367004-54-2

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Necrostatin-34 (Nec-34)

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N/A

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RIP kinase

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Free base

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375835-43-1

>  <URL> (1,625)
http://www.selleckchem.com/products/necrostatin-34-nec-34.html

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FLT3

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Free base

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895533-09-2

>  <URL> (1,626)
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1256349-48-0

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1042433-41-9

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C22H22N6O

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BTK inhibitor 1

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Free base

>  <CAS> (1,636)
1412418-47-3

>  <URL> (1,636)
http://www.selleckchem.com/products/-rac--ibt6a.html

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csChFnd80/09132309312D

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C21H16ClF3N4

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416.8267496

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E2387

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FLT3-IN-2

>  <Target> (1,637)
FLT3

>  <Form> (1,637)
Free base

>  <CAS> (1,637)
923562-23-6

>  <URL> (1,637)
http://www.selleckchem.com/products/flt3-in-2.html

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>  <Formula> (1,638)
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>  <MolWeight> (1,638)
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TGF-beta/Smad

>  <Form> (1,638)
Free base

>  <CAS> (1,638)
2763602-67-9

>  <URL> (1,638)
http://www.selleckchem.com/products/tgfbetari-in-3.html

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>  <CAS> (1,639)
1637443-98-1

>  <URL> (1,639)
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csChFnd80/09132309312D

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EGFR

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196612-93-8

>  <URL> (1,640)
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csChFnd80/09132309312D

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C16H15N5

>  <MolWeight> (1,641)
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1357349-91-7

>  <URL> (1,641)
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1628606-05-2

>  <URL> (1,642)
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458.55378

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E2822

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GSK2983559 active metabolite

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RIP kinase

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Free base

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1423186-80-4

>  <URL> (1,649)
http://www.selleckchem.com/products/gsk2983559-active-metabolite.html

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csChFnd80/09132309312D

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>  <Mol_ID> (1,650)
1651

>  <Formula> (1,650)
C22H24N2O3

>  <MolWeight> (1,650)
364.43756

>  <Cat> (1,650)
E2823

>  <Name> (1,650)
PIK-108

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PI3K

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Free base

>  <CAS> (1,650)
901398-68-3

>  <URL> (1,650)
http://www.selleckchem.com/products/pik-108.html

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csChFnd80/09132309312D

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1652

>  <Formula> (1,651)
C16H11ClN6O3S

>  <MolWeight> (1,651)
402.81494

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E2834

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Hck-IN-1

>  <Target> (1,651)
Others

>  <Form> (1,651)
Free base

>  <CAS> (1,651)
1473404-51-1

>  <URL> (1,651)
http://www.selleckchem.com/products/hck-in-1.html

$$$$

csChFnd80/09132309312D

 37 41  0  0  0  0  0  0  0  0999 V2000
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>  <Name> (1,652)
NVP-BHG712 isomer

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Ephrin receptor

>  <Form> (1,652)
Free base

>  <CAS> (1,652)
2245892-85-5

>  <URL> (1,652)
http://www.selleckchem.com/products/nvp-bhg712-isomer.html

$$$$

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  2 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,653)
1654

>  <Formula> (1,653)
C23H28BrN7O3S

>  <MolWeight> (1,653)
562.48252

>  <Cat> (1,653)
E2836

>  <Name> (1,653)
ALK inhibitor 1

>  <Synonyms> (1,653)
compound 17

>  <Target> (1,653)
ALK

>  <Form> (1,653)
Free base

>  <CAS> (1,653)
761436-81-1

>  <URL> (1,653)
http://www.selleckchem.com/products/alk-inhibitor-1.html

$$$$

csChFnd80/09132309312D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,654)
1655

>  <Formula> (1,654)
C20H21F3N4O4S

>  <MolWeight> (1,654)
470.4653496

>  <Cat> (1,654)
E2837

>  <Name> (1,654)
Zabedosertib

>  <Synonyms> (1,654)
BAY 1834845

>  <Target> (1,654)
IRAK

>  <Form> (1,654)
Free base

>  <CAS> (1,654)
1931994-81-8

>  <URL> (1,654)
http://www.selleckchem.com/products/zabedosertib.html

$$$$

csChFnd80/09132309312D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.9661    1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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A   35
.
M  END
>  <Mol_ID> (1,655)
1656

>  <Formula> (1,655)
C26H26N4O4R

>  <MolWeight> (1,655)
458.50904

>  <Cat> (1,655)
E2839

>  <Name> (1,655)
Bisindolylmaleimide VIII (acetate)

>  <Synonyms> (1,655)
Ro 31-7549 acetate

>  <Target> (1,655)
PKC

>  <Form> (1,655)
Acetate

>  <CAS> (1,655)
138516-31-1

>  <URL> (1,655)
http://www.selleckchem.com/products/bisindolylmaleimide-8--acetate-.html

$$$$

csChFnd80/09132309312D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,656)
1657

>  <Formula> (1,656)
C26H26N6O3

>  <MolWeight> (1,656)
470.52304

>  <Cat> (1,656)
E2843

>  <Name> (1,656)
Poseltinib

>  <Synonyms> (1,656)
HM71224, LY3337641

>  <Target> (1,656)
BTK

>  <Form> (1,656)
Free base

>  <CAS> (1,656)
1353552-97-2

>  <URL> (1,656)
http://www.selleckchem.com/products/poseltinib.html

$$$$

csChFnd80/09132309312D

270276  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,657)
1658

>  <Formula> (1,657)
C164H286N66O40

>  <MolWeight> (1,657)
3822.44384

>  <Cat> (1,657)
P1106

>  <Name> (1,657)
D-JNKI-1

>  <Synonyms> (1,657)
AM-111, XG-102, Brimapitide

>  <Target> (1,657)
JAK

>  <Form> (1,657)
Free base

>  <CAS> (1,657)
1445179-97-4

>  <URL> (1,657)
http://www.selleckchem.com/products/d-jnki-1.html

$$$$

csChFnd80/09132309312D

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184582-62-5

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2359650-19-2

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C20H18N6O3

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AMPK

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2271081-58-2

>  <URL> (1,662)
http://www.selleckchem.com/products/mark4-inhibitor-1.html

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C22H24ClN7O

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437.92526

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Free base

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1439934-41-4

>  <URL> (1,663)
http://www.selleckchem.com/products/ctx-0294885.html

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csChFnd80/09132309312D

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1665

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C20H20N2O3

>  <MolWeight> (1,664)
336.3844

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S0736

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AG 556

>  <Synonyms> (1,664)
N/A

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EGFR

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Free base

>  <CAS> (1,664)
133550-41-1

>  <URL> (1,664)
http://www.selleckchem.com/products/ag-556.html

$$$$

csChFnd80/09132309312D

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>  <Formula> (1,665)
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2055597-12-9

>  <URL> (1,665)
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552325-16-3

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CDK inhibitor II

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CDK9

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1269815-17-9

>  <URL> (1,668)
https://www.selleckchem.com/products/cdk-in-2.html

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443913-15-3

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>  <CAS> (1,670)
1848242-58-9

>  <URL> (1,670)
https://www.selleckchem.com/products/pi3k-mtor-inhibitor-2.html

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csChFnd80/09132309312D

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CDK

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Free base

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902156-99-4

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https://www.selleckchem.com/products/nvp-lcq195.html

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1408064-71-0

>  <URL> (1,672)
https://www.selleckchem.com/products/jnk-in-7.html

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491839-65-7

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>  <Mol_ID> (1,675)
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>  <Formula> (1,675)
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>  <MolWeight> (1,675)
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>  <Name> (1,675)
GSK626616

>  <Target> (1,675)
DYRK

>  <Form> (1,675)
Free base

>  <CAS> (1,675)
1025821-33-3

>  <URL> (1,675)
https://www.selleckchem.com/products/gsk626616.html

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>  <Mol_ID> (1,676)
1677

>  <Formula> (1,676)
C25H27N5O4S

>  <MolWeight> (1,676)
493.57798

>  <Cat> (1,676)
S2221

>  <Name> (1,676)
Apatinib (YN968D1)?mesylate

>  <Synonyms> (1,676)
Rivoceranib mesylate

>  <Target> (1,676)
VEGFR

>  <Form> (1,676)
Mesylate

>  <CAS> (1,676)
1218779-75-9

>  <URL> (1,676)
http://www.selleckchem.com/products/Apatinib-YN968D1.html

$$$$
AY-20590
csChFnd80/09132309312D

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>  <Mol_ID> (1,677)
1678

>  <Formula> (1,677)
C16H10N2O2

>  <MolWeight> (1,677)
262.2628

>  <Cat> (1,677)
P3252

>  <Name> (1,677)
AY-20590

>  <Synonyms> (1,677)
N/A

>  <Target> (1,677)
Mcl-1,Anti-infection,PDGFR

>  <Form> (1,677)
free base

>  <CAS> (1,677)
57490-73-0

>  <URL> (1,677)
N/A

$$$$
WAY-278534
csChFnd80/09132309312D

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>  <Mol_ID> (1,678)
1679

>  <Formula> (1,678)
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>  <MolWeight> (1,678)
235.25906

>  <Cat> (1,678)
P3292

>  <Name> (1,678)
WAY-278534

>  <Synonyms> (1,678)
N/A

>  <Target> (1,678)
Pim-1,Pim-2

>  <Form> (1,678)
free base

>  <CAS> (1,678)
6320-51-0

>  <URL> (1,678)
N/A

$$$$
WAY-299369
csChFnd80/09132309312D

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>  <Mol_ID> (1,679)
1680

>  <Formula> (1,679)
C15H15ClN2O3

>  <MolWeight> (1,679)
306.7442

>  <Cat> (1,679)
P3304

>  <Name> (1,679)
WAY-299369

>  <Synonyms> (1,679)
N/A

>  <Target> (1,679)
AR,DNA binding,GSK-3¦Á/¦Â,MDM4 and p53

>  <Form> (1,679)
free base

>  <CAS> (1,679)
1005078-45-4

>  <URL> (1,679)
N/A

$$$$
WAY-382818
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,680)
1681

>  <Formula> (1,680)
C24H20N4O5

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444.4394

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P3418

>  <Name> (1,680)
WAY-382818

>  <Synonyms> (1,680)
N/A

>  <Target> (1,680)
mitogen-activated protein kinase phosphatase

>  <Form> (1,680)
free base

>  <CAS> (1,680)
1022922-35-5

>  <URL> (1,680)
N/A

$$$$
WAY-383270
csChFnd80/09132309312D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
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 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,681)
1682

>  <Formula> (1,681)
C23H24FN3O2S

>  <MolWeight> (1,681)
425.5189632

>  <Cat> (1,681)
P3419

>  <Name> (1,681)
WAY-383270

>  <Synonyms> (1,681)
N/A

>  <Target> (1,681)
Casein kinase 1¦Ä

>  <Form> (1,681)
free base

>  <CAS> (1,681)
1024284-84-1

>  <URL> (1,681)
N/A

$$$$
GI-566508
csChFnd80/09132309312D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,682)
1683

>  <Formula> (1,682)
C17H17N3S

>  <MolWeight> (1,682)
295.40198

>  <Cat> (1,682)
P3259

>  <Name> (1,682)
GI-566508

>  <Synonyms> (1,682)
N/A

>  <Target> (1,682)
EGFR 

>  <Form> (1,682)
free base

>  <CAS> (1,682)
1164458-14-3

>  <URL> (1,682)
N/A

$$$$
WAY-107407
csChFnd80/09132309312D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,683)
1684

>  <Formula> (1,683)
C15H12N2O3

>  <MolWeight> (1,683)
268.26738

>  <Cat> (1,683)
P3262

>  <Name> (1,683)
WAY-107407

>  <Synonyms> (1,683)
N/A

>  <Target> (1,683)
PI3K

>  <Form> (1,683)
free base

>  <CAS> (1,683)
1164469-67-3

>  <URL> (1,683)
N/A

$$$$
WAY-114506
csChFnd80/09132309312D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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M  END
>  <Mol_ID> (1,684)
1685

>  <Formula> (1,684)
C10H18N4O4

>  <MolWeight> (1,684)
258.27432

>  <Cat> (1,684)
P3265

>  <Name> (1,684)
WAY-114506

>  <Synonyms> (1,684)
N/A

>  <Target> (1,684)
amyloid beta

>  <Form> (1,684)
free base

>  <CAS> (1,684)
1164500-43-9

>  <URL> (1,684)
N/A

$$$$
WAY-221060-A
csChFnd80/09132309312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,685)
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>  <Formula> (1,685)
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>  <MolWeight> (1,685)
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>  <Cat> (1,685)
P3266

>  <Name> (1,685)
WAY-221060-A

>  <Synonyms> (1,685)
N/A

>  <Target> (1,685)
hOCT1 and hOCT2,JARID1A and JARID1B

>  <Form> (1,685)
free base

>  <CAS> (1,685)
1351406-38-6

>  <URL> (1,685)
N/A

$$$$
WAY-240932
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,686)
1687

>  <Formula> (1,686)
C15H11BrN2O2S

>  <MolWeight> (1,686)
363.22904

>  <Cat> (1,686)
P3269

>  <Name> (1,686)
WAY-240932

>  <Synonyms> (1,686)
N/A

>  <Target> (1,686)
serine/threonine kinase

>  <Form> (1,686)
free base

>  <CAS> (1,686)
326914-66-3

>  <URL> (1,686)
N/A

$$$$
WAY-299590
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,687)
1688

>  <Formula> (1,687)
C19H20FNO

>  <MolWeight> (1,687)
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>  <Cat> (1,687)
P3305

>  <Name> (1,687)
WAY-299590

>  <Synonyms> (1,687)
N/A

>  <Target> (1,687)
InhA,p38a

>  <Form> (1,687)
free base

>  <CAS> (1,687)
260428-61-3

>  <URL> (1,687)
N/A

$$$$
WAY-300062
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,688)
1689

>  <Formula> (1,688)
C16H16N4O2S

>  <MolWeight> (1,688)
328.38884

>  <Cat> (1,688)
P3307

>  <Name> (1,688)
WAY-300062

>  <Synonyms> (1,688)
N/A

>  <Target> (1,688)
Anti-infection

>  <Form> (1,688)
free base

>  <CAS> (1,688)
330990-68-6

>  <URL> (1,688)
N/A

$$$$
WAY-302159
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,689)
1690

>  <Formula> (1,689)
C16H11N3O3

>  <MolWeight> (1,689)
293.27684

>  <Cat> (1,689)
P3746

>  <Name> (1,689)
WAY-302159

>  <Synonyms> (1,689)
N/A

>  <Target> (1,689)
VEGFR-2

>  <Form> (1,689)
free base

>  <CAS> (1,689)
62802-77-1

>  <URL> (1,689)
N/A

$$$$
WAY-302713-A
csChFnd80/09132309312D

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WAY-302888
csChFnd80/09132309312D

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free base

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331964-66-0

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N/A

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WAY-303292
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B-Raf

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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
csChFnd80/09132309312D

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free base

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345616-08-2

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N/A

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WAY-305025
csChFnd80/09132309312D

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Mnk

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457911-10-3

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N/A

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WAY-232261
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 PI3K

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free base

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332023-13-9

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N/A

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WAY-340245
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WAY-340245

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N/A

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ERK

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free base

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350509-85-2

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N/A

$$$$
WAY-346658
csChFnd80/09132309312D

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1698

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C13H11ClN2O2S

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294.75664

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P3715

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WAY-346658

>  <Synonyms> (1,697)
N/A

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c-Jun N-terminal kinase

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free base

>  <CAS> (1,697)
381714-44-9

>  <URL> (1,697)
N/A

$$$$
WAY-350471
csChFnd80/09132309312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,698)
1699

>  <Formula> (1,698)
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290.38392

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WAY-350471

>  <Synonyms> (1,698)
N/A

>  <Target> (1,698)
IRAK

>  <Form> (1,698)
free base

>  <CAS> (1,698)
785705-53-5

>  <URL> (1,698)
N/A

$$$$
WAY-352563
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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1700

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C18H14O4

>  <MolWeight> (1,699)
294.30136

>  <Cat> (1,699)
P3743

>  <Name> (1,699)
WAY-352563

>  <Synonyms> (1,699)
N/A

>  <Target> (1,699)
CDK

>  <Form> (1,699)
free base

>  <CAS> (1,699)
505051-04-7

>  <URL> (1,699)
N/A

$$$$
GI-505946
csChFnd80/09132309312D

 18 19  0  0  0  0  0  0  0  0999 V2000
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1701

>  <Formula> (1,700)
C12H9Cl2N3O

>  <MolWeight> (1,700)
282.12536

>  <Cat> (1,700)
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>  <Name> (1,700)
GI-505946

>  <Synonyms> (1,700)
N/A

>  <Target> (1,700)
p38

>  <Form> (1,700)
free base

>  <CAS> (1,700)
13142-47-7

>  <URL> (1,700)
N/A

$$$$
WAY-354896
csChFnd80/09132309312D

 23 26  0  0  0  0  0  0  0  0999 V2000
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1702

>  <Formula> (1,701)
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>  <Cat> (1,701)
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>  <Name> (1,701)
WAY-354896

>  <Synonyms> (1,701)
N/A

>  <Target> (1,701)
PKR,PERK

>  <Form> (1,701)
free base

>  <CAS> (1,701)
136498-37-8

>  <URL> (1,701)
N/A

$$$$
WAY-380496
csChFnd80/09132309312D

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DAPK

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free base

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304000-05-3

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N/A

$$$$
WAY-381332
csChFnd80/09132309312D

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1704

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290.3607

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P3712

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WAY-381332

>  <Synonyms> (1,703)
N/A

>  <Target> (1,703)
CDK9 

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free base

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380163-63-3

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N/A

$$$$
WAY-332656
csChFnd80/09132309312D

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>  <Mol_ID> (1,704)
1705

>  <Formula> (1,704)
C18H13ClN4O2

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352.77442

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P3695

>  <Name> (1,704)
WAY-332656

>  <Synonyms> (1,704)
N/A

>  <Target> (1,704)
Protein kinase C epsilon signaling

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free base

>  <CAS> (1,704)
904458-98-6

>  <URL> (1,704)
N/A

$$$$
WAY-601017
csChFnd80/09132309312D

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>  <Formula> (1,705)
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>  <MolWeight> (1,705)
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>  <Cat> (1,705)
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>  <Name> (1,705)
WAY-601017

>  <Synonyms> (1,705)
N/A

>  <Target> (1,705)
 PI3K

>  <Form> (1,705)
free base

>  <CAS> (1,705)
300375-81-9

>  <URL> (1,705)
N/A

$$$$
WAY-601035
csChFnd80/09132309312D

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>  <Mol_ID> (1,706)
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>  <Formula> (1,706)
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>  <Cat> (1,706)
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>  <Name> (1,706)
WAY-601035

>  <Synonyms> (1,706)
N/A

>  <Target> (1,706)
 PI3K

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free base

>  <CAS> (1,706)
304645-61-2

>  <URL> (1,706)
N/A

$$$$
WAY-614915
csChFnd80/09132309312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,707)
1708

>  <Formula> (1,707)
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P3452

>  <Name> (1,707)
WAY-614915

>  <Synonyms> (1,707)
N/A

>  <Target> (1,707)
Casein kinase 1¦Ä

>  <Form> (1,707)
free base

>  <CAS> (1,707)
450394-66-8

>  <URL> (1,707)
N/A

$$$$
WAY-615029
csChFnd80/09132309312D

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 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
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 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,708)
1709

>  <Formula> (1,708)
C14H15N3O4S

>  <MolWeight> (1,708)
321.3516

>  <Cat> (1,708)
P3453

>  <Name> (1,708)
WAY-615029

>  <Synonyms> (1,708)
N/A

>  <Target> (1,708)
Kinase

>  <Form> (1,708)
free base

>  <CAS> (1,708)
730945-59-2

>  <URL> (1,708)
N/A

$$$$
WAY-632613
csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,709)
1710

>  <Formula> (1,709)
C15H14N2O3S

>  <MolWeight> (1,709)
302.34826

>  <Cat> (1,709)
P3476

>  <Name> (1,709)
WAY-632613

>  <Synonyms> (1,709)
N/A

>  <Target> (1,709)
p38

>  <Form> (1,709)
free base

>  <CAS> (1,709)
731816-85-6

>  <URL> (1,709)
N/A

$$$$
WAY-632896
csChFnd80/09132309312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,710)
1711

>  <Formula> (1,710)
C14H13N3OS

>  <MolWeight> (1,710)
271.33752

>  <Cat> (1,710)
P3477

>  <Name> (1,710)
WAY-632896

>  <Synonyms> (1,710)
N/A

>  <Target> (1,710)
CDK9,GSK-3

>  <Form> (1,710)
free base

>  <CAS> (1,710)
784170-07-6

>  <URL> (1,710)
N/A

$$$$
WAY-632963-A
csChFnd80/09132309312D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
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M  END
>  <Mol_ID> (1,711)
1712

>  <Formula> (1,711)
C11H12ClN3O

>  <MolWeight> (1,711)
237.68548

>  <Cat> (1,711)
P3478

>  <Name> (1,711)
WAY-632963

>  <Synonyms> (1,711)
N/A

>  <Target> (1,711)
Aurora kinase A

>  <Form> (1,711)
free base

>  <CAS> (1,711)
900640-73-5

>  <URL> (1,711)
N/A

$$$$
WAY-633334
csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,712)
1713

>  <Formula> (1,712)
C15H15N3O2S

>  <MolWeight> (1,712)
301.3635

>  <Cat> (1,712)
P3479

>  <Name> (1,712)
WAY-633334

>  <Synonyms> (1,712)
N/A

>  <Target> (1,712)
Casein kinase 1¦Ä

>  <Form> (1,712)
free base

>  <CAS> (1,712)
757224-44-5

>  <URL> (1,712)
N/A

$$$$
WAY-633877
csChFnd80/09132309312D

 29 34  0  0  0  0  0  0  0  0999 V2000
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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
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 17 15  2  0  0  0  0
 18 23  1  0  0  0  0
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 20 18  1  0  0  0  0
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 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> (1,713)
1714

>  <Formula> (1,713)
C21H19N5O3

>  <MolWeight> (1,713)
389.40726

>  <Cat> (1,713)
P3480

>  <Name> (1,713)
WAY-633877

>  <Synonyms> (1,713)
N/A

>  <Target> (1,713)
Casein kinase 1¦Ä

>  <Form> (1,713)
free base

>  <CAS> (1,713)
782452-74-8

>  <URL> (1,713)
N/A

$$$$
WAY-652435
csChFnd80/09132309312D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  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> (1,714)
1715

>  <Formula> (1,714)
C9H15N3O

>  <MolWeight> (1,714)
181.2349

>  <Cat> (1,714)
P3514

>  <Name> (1,714)
WAY-652435

>  <Synonyms> (1,714)
N/A

>  <Target> (1,714)
P2Y12,tankyrase,Aurora Kinase

>  <Form> (1,714)
free base

>  <CAS> (1,714)
173850-51-6

>  <URL> (1,714)
N/A

$$$$
WAY-652509
csChFnd80/09132309312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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   10.0143    7.8878    0.0000 N   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  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
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,715)
1716

>  <Formula> (1,715)
C15H12ClN3

>  <MolWeight> (1,715)
269.72888

>  <Cat> (1,715)
P3515

>  <Name> (1,715)
WAY-652509

>  <Synonyms> (1,715)
N/A

>  <Target> (1,715)
quinone reductase 2,Casein kinase 1¦Ä

>  <Form> (1,715)
free base

>  <CAS> (1,715)
854355-54-7

>  <URL> (1,715)
N/A

$$$$
WAY-652641
csChFnd80/09132309312D

 14 14  0  0  0  0  0  0  0  0999 V2000
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   -1.5458    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
  3  4  2  0  0  0  0
M  END
>  <Mol_ID> (1,716)
1717

>  <Formula> (1,716)
C9H14N2O3

>  <MolWeight> (1,716)
198.21906

>  <Cat> (1,716)
P3516

>  <Name> (1,716)
WAY-652641

>  <Synonyms> (1,716)
N/A

>  <Target> (1,716)
CDK

>  <Form> (1,716)
free base

>  <CAS> (1,716)
852851-73-1

>  <URL> (1,716)
N/A

$$$$
WAY-652848
csChFnd80/09132309312D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  7  1  0  0  0  0
  9 11  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  2  0  0  0  0
 16  9  1  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
 19  4  1  0  0  0  0
 20 24  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 13 12  2  0  0  0  0
 16 14  2  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,717)
1718

>  <Formula> (1,717)
C17H17F3N2O3

>  <MolWeight> (1,717)
354.3236896

>  <Cat> (1,717)
P3517

>  <Name> (1,717)
WAY-652848

>  <Synonyms> (1,717)
N/A

>  <Target> (1,717)
SRPK kinase 

>  <Form> (1,717)
free base

>  <CAS> (1,717)
848057-98-7

>  <URL> (1,717)
N/A

$$$$
WAY-653005
csChFnd80/09132309312D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    0.2625    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -0.2083   -2.7500    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  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  8  2  0  0  0  0
  7  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 13 11  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,718)
1719

>  <Formula> (1,718)
C11H15NO

>  <MolWeight> (1,718)
177.2429

>  <Cat> (1,718)
P3518

>  <Name> (1,718)
WAY-653005

>  <Synonyms> (1,718)
N/A

>  <Target> (1,718)
others

>  <Form> (1,718)
free base

>  <CAS> (1,718)
74190-66-2

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N/A

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WAY-271413
csChFnd80/09132309312D

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>  <Synonyms> (1,719)
N/A

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GSK-3¦Â

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free base

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536731-65-4

>  <URL> (1,719)
N/A

$$$$
WAY-271999
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,720)
1721

>  <Formula> (1,720)
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>  <MolWeight> (1,720)
250.63788

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>  <Name> (1,720)
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>  <Synonyms> (1,720)
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>  <Target> (1,720)
c-Met

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free base

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147920-34-1

>  <URL> (1,720)
N/A

$$$$
WAY-272130
csChFnd80/09132309312D

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1722

>  <Formula> (1,721)
C18H12N2O5S

>  <MolWeight> (1,721)
368.36328

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P3285

>  <Name> (1,721)
WAY-272130

>  <Synonyms> (1,721)
N/A

>  <Target> (1,721)
FGFR1

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free base

>  <CAS> (1,721)
442534-83-0

>  <URL> (1,721)
N/A

$$$$
WAY-272324
csChFnd80/09132309312D

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1723

>  <Formula> (1,722)
C16H11NO5S

>  <MolWeight> (1,722)
329.32724

>  <Cat> (1,722)
P3286

>  <Name> (1,722)
WAY-272324

>  <Synonyms> (1,722)
N/A

>  <Target> (1,722)
 PI3K

>  <Form> (1,722)
free base

>  <CAS> (1,722)
900515-01-7

>  <URL> (1,722)
N/A

$$$$
WAY-272449
csChFnd80/09132309312D

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1724

>  <Formula> (1,723)
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>  <MolWeight> (1,723)
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>  <Cat> (1,723)
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>  <Name> (1,723)
WAY-272449

>  <Synonyms> (1,723)
N/A

>  <Target> (1,723)
FGFR1

>  <Form> (1,723)
free base

>  <CAS> (1,723)
670266-26-9

>  <URL> (1,723)
N/A

$$$$
WAY-272589
csChFnd80/09132309312D

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 22 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,724)
1725

>  <Formula> (1,724)
C16H15N3O2S2

>  <MolWeight> (1,724)
345.4392

>  <Cat> (1,724)
P3288

>  <Name> (1,724)
WAY-272589

>  <Synonyms> (1,724)
N/A

>  <Target> (1,724)
pin1

>  <Form> (1,724)
free base

>  <CAS> (1,724)
637325-53-2

>  <URL> (1,724)
N/A

$$$$
WAY-320008
csChFnd80/09132309312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 11 16  2  0  0  0  0
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 13 18  2  0  0  0  0
 15 19  2  0  0  0  0
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 23 24  1  0  0  0  0
  9 10  2  0  0  0  0
 12 16  1  0  0  0  0
 14 18  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,725)
1726

>  <Formula> (1,725)
C20H16N4

>  <MolWeight> (1,725)
312.36784

>  <Cat> (1,725)
P3322

>  <Name> (1,725)
WAY-320008

>  <Synonyms> (1,725)
N/A

>  <Target> (1,725)
tropomyosin-related kinase a

>  <Form> (1,725)
free base

>  <CAS> (1,725)
128889-33-8

>  <URL> (1,725)
N/A

$$$$
WAY-320426
csChFnd80/09132309312D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16  3  1  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
 19  6  1  0  0  0  0
 20 18  2  0  0  0  0
  6  5  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,726)
1727

>  <Formula> (1,726)
C14H14ClN3O2

>  <MolWeight> (1,726)
291.73286

>  <Cat> (1,726)
P3326

>  <Name> (1,726)
WAY-320426

>  <Synonyms> (1,726)
N/A

>  <Target> (1,726)
Anti-infection

>  <Form> (1,726)
free base

>  <CAS> (1,726)
312601-47-1

>  <URL> (1,726)
N/A

$$$$
WAY-635767
csChFnd80/09132309312D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
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 17 14  1  0  0  0  0
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  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,727)
1728

>  <Formula> (1,727)
C12H12ClN3O

>  <MolWeight> (1,727)
249.69618

>  <Cat> (1,727)
P3488

>  <Name> (1,727)
WAY-635767

>  <Synonyms> (1,727)
N/A

>  <Target> (1,727)
Aurora kinase A

>  <Form> (1,727)
free base

>  <CAS> (1,727)
790232-33-6

>  <URL> (1,727)
N/A

$$$$
CL-16859
csChFnd80/09132309312D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (1,728)
1729

>  <Formula> (1,728)
C14H20N2O2

>  <MolWeight> (1,728)
248.3208

>  <Cat> (1,728)
P3254

>  <Name> (1,728)
CL-16859

>  <Synonyms> (1,728)
N/A

>  <Target> (1,728)
Anti-infection 

>  <Form> (1,728)
free base

>  <CAS> (1,728)
438025-86-6

>  <URL> (1,728)
N/A

$$$$
WAY-320706
csChFnd80/09132309312D

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  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 21  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18 20  1  0  0  0  0
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  3  4  1  0  0  0  0
 18 14  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,729)
1730

>  <Formula> (1,729)
C13H11ClN6OS2

>  <MolWeight> (1,729)
366.84904

>  <Cat> (1,729)
P3328

>  <Name> (1,729)
WAY-320706

>  <Synonyms> (1,729)
N/A

>  <Target> (1,729)
Anti-infection, ATOH-1

>  <Form> (1,729)
free base

>  <CAS> (1,729)
370092-42-5

>  <URL> (1,729)
N/A

$$$$
WAY-320774
csChFnd80/09132309312D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22 16  2  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
  7  5  2  0  0  0  0
  6  9  2  0  0  0  0
 23 22  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,730)
1731

>  <Formula> (1,730)
C19H16N4O2S

>  <MolWeight> (1,730)
364.42094

>  <Cat> (1,730)
P3329

>  <Name> (1,730)
WAY-320774

>  <Synonyms> (1,730)
N/A

>  <Target> (1,730)
Kanamycin Resistance Enzyme Eis

>  <Form> (1,730)
free base

>  <CAS> (1,730)
425653-38-9

>  <URL> (1,730)
N/A

$$$$
WAY-320951
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.3029    0.1135    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
  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> (1,731)
1732

>  <Formula> (1,731)
C14H11N3O4S

>  <MolWeight> (1,731)
317.31984

>  <Cat> (1,731)
P3330

>  <Name> (1,731)
WAY-320951

>  <Synonyms> (1,731)
N/A

>  <Target> (1,731)
Anti-infection

>  <Form> (1,731)
free base

>  <CAS> (1,731)
430444-03-4

>  <URL> (1,731)
N/A

$$$$
WAY-321002
csChFnd80/09132309312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    0.2655   -0.3628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    0.8752    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
  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> (1,732)
1733

>  <Formula> (1,732)
C20H16N4

>  <MolWeight> (1,732)
312.36784

>  <Cat> (1,732)
P3331

>  <Name> (1,732)
WAY-321002

>  <Synonyms> (1,732)
N/A

>  <Target> (1,732)
EGFR,PDE-5,TGF-¦Â,p38-¦Á,

>  <Form> (1,732)
free base

>  <CAS> (1,732)
166039-38-9

>  <URL> (1,732)
N/A

$$$$
WAY-321364
csChFnd80/09132309312D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   -5.3106    1.0860    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
  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
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 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> (1,733)
1734

>  <Formula> (1,733)
C21H17N3O4

>  <MolWeight> (1,733)
375.37738

>  <Cat> (1,733)
P3332

>  <Name> (1,733)
WAY-321364

>  <Synonyms> (1,733)
N/A

>  <Target> (1,733)
casein kinase 2

>  <Form> (1,733)
free base

>  <CAS> (1,733)
385389-39-9

>  <URL> (1,733)
N/A

$$$$
WAY-321366
csChFnd80/09132309312D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.7105    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0209    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4830    0.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,734)
1735

>  <Formula> (1,734)
C20H14ClN3O3

>  <MolWeight> (1,734)
379.79646

>  <Cat> (1,734)
P3333

>  <Name> (1,734)
WAY-321366

>  <Synonyms> (1,734)
N/A

>  <Target> (1,734)
tyrosine kinase

>  <Form> (1,734)
free base

>  <CAS> (1,734)
370854-75-4

>  <URL> (1,734)
N/A

$$$$
WAY-321582-A
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,735)
1736

>  <Formula> (1,735)
C13H11N3O

>  <MolWeight> (1,735)
225.24594

>  <Cat> (1,735)
P3334

>  <Name> (1,735)
WAY-321582-A

>  <Synonyms> (1,735)
N/A

>  <Target> (1,735)
casein kinase 2

>  <Form> (1,735)
free base

>  <CAS> (1,735)
34116-16-0

>  <URL> (1,735)
N/A

$$$$
WAY-321873
csChFnd80/09132309312D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 10 20  1  0  0  0  0
 11  1  1  0  0  0  0
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 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16  3  2  0  0  0  0
 17  5  1  0  0  0  0
 18 11  1  0  0  0  0
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 20 22  2  0  0  0  0
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 23 26  1  0  0  0  0
 24  8  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  2  0  0  0  0
 27 17  1  0  0  0  0
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 31 29  2  0  0  0  0
 21 20  1  0  0  0  0
 25 23  2  0  0  0  0
  7  4  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,736)
1737

>  <Formula> (1,736)
C21H17N5O4S

>  <MolWeight> (1,736)
435.45578

>  <Cat> (1,736)
P3335

>  <Name> (1,736)
WAY-321873

>  <Synonyms> (1,736)
N/A

>  <Target> (1,736)
 GATA4-NKX2-5,AKT

>  <Form> (1,736)
free base

>  <CAS> (1,736)
547704-53-0

>  <URL> (1,736)
N/A

$$$$
WAY-321961
csChFnd80/09132309312D

 16 18  0  0  0  0  0  0  0  0999 V2000
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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  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
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  9  3  2  0  0  0  0
 10  6  1  0  0  0  0
 11  8  2  0  0  0  0
 12  2  1  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
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  6  4  2  0  0  0  0
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M  END
>  <Mol_ID> (1,737)
1738

>  <Formula> (1,737)
C12H11NO3

>  <MolWeight> (1,737)
217.22064

>  <Cat> (1,737)
P3336

>  <Name> (1,737)
WAY-321961

>  <Synonyms> (1,737)
N/A

>  <Target> (1,737)
protein kinase D

>  <Form> (1,737)
free base

>  <CAS> (1,737)
370586-05-3

>  <URL> (1,737)
N/A

$$$$
WAY-322545
csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
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 14  6  1  0  0  0  0
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 23 18  1  0  0  0  0
  4  3  1  0  0  0  0
 21 18  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,738)
1739

>  <Formula> (1,738)
C17H19ClN2O3

>  <MolWeight> (1,738)
334.79736

>  <Cat> (1,738)
P3337

>  <Name> (1,738)
WAY-322545

>  <Synonyms> (1,738)
N/A

>  <Target> (1,738)
GSK-3¦Á/¦Â

>  <Form> (1,738)
free base

>  <CAS> (1,738)
451449-70-0

>  <URL> (1,738)
N/A

$$$$
WAY-322940
csChFnd80/09132309312D

 31 34  0  0  0  0  0  0  0  0999 V2000
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   14.9731    7.1227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3965    9.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7233    4.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9353    2.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7443    1.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7769    5.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6318   10.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1356    4.7177    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
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  2  0  0  0  0
  9  6  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17  6  2  0  0  0  0
 18 14  2  0  0  0  0
 19  4  1  0  0  0  0
 20 26  2  0  0  0  0
 21 13  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 21  1  0  0  0  0
 28 21  2  0  0  0  0
 29 22  1  0  0  0  0
 30 23  1  0  0  0  0
 31 24  1  0  0  0  0
  2  5  2  0  0  0  0
 13 18  1  0  0  0  0
  8 10  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,739)
1740

>  <Formula> (1,739)
C22H20N4O4S

>  <MolWeight> (1,739)
436.4836

>  <Cat> (1,739)
P3338

>  <Name> (1,739)
WAY-322940

>  <Synonyms> (1,739)
N/A

>  <Target> (1,739)
Rho 

>  <Form> (1,739)
free base

>  <CAS> (1,739)
445267-51-6

>  <URL> (1,739)
N/A

$$$$
WAY-604116
csChFnd80/09132309312D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.7650   -0.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0857    0.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5350   -0.0726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1202    1.0515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9305    0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8350   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4798    0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1350   -0.0726    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
  1  5  1  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
  5 10  2  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
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,740)
1741

>  <Formula> (1,740)
C17H22N2O

>  <MolWeight> (1,740)
270.36938

>  <Cat> (1,740)
P3436

>  <Name> (1,740)
WAY-604116

>  <Synonyms> (1,740)
N/A

>  <Target> (1,740)
sphingosine kinase,11¦Â-hydroxysteroid dehyd

>  <Form> (1,740)
free base

>  <CAS> (1,740)
121768-39-6

>  <URL> (1,740)
N/A

$$$$
WAY-299721
csChFnd80/09132309312D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.6690    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -0.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4897    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9172   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8000   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379    1.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -0.0207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4517   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8621    2.1310    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6207   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931   -2.0207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4621   -1.0310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -1.3724    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  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  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
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 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
  5  9  2  0  0  0  0
 13 15  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,741)
1742

>  <Formula> (1,741)
C18H15ClF3N5OS

>  <MolWeight> (1,741)
441.8578096

>  <Cat> (1,741)
P3306

>  <Name> (1,741)
WAY-299721

>  <Synonyms> (1,741)
N/A

>  <Target> (1,741)
SYK kinase

>  <Form> (1,741)
free base

>  <CAS> (1,741)
338427-78-4

>  <URL> (1,741)
N/A

$$$$
WAY-300385
csChFnd80/09132309312D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.8586    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3586   -1.4276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138   -1.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897    0.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    1.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9655   -0.9276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    0.7103    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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  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  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> (1,742)
1743

>  <Formula> (1,742)
C13H15N3O2S2

>  <MolWeight> (1,742)
309.4071

>  <Cat> (1,742)
P3308

>  <Name> (1,742)
WAY-300385

>  <Synonyms> (1,742)
N/A

>  <Target> (1,742)
Anti-infection

>  <Form> (1,742)
free base

>  <CAS> (1,742)
500188-71-6

>  <URL> (1,742)
N/A

$$$$
WAY-300442
csChFnd80/09132309312D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.4034    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379   -0.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034    1.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3448    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759    2.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8207   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8828    3.0172    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9379   -1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1724    1.2138    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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
  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> (1,743)
1744

>  <Formula> (1,743)
C18H11BrN2O4

>  <MolWeight> (1,743)
399.19494

>  <Cat> (1,743)
P3309

>  <Name> (1,743)
WAY-300442

>  <Synonyms> (1,743)
N/A

>  <Target> (1,743)
ATP-kinase

>  <Form> (1,743)
free base

>  <CAS> (1,743)
333773-08-3

>  <URL> (1,743)
N/A

$$$$
WAY-384934
csChFnd80/09132309312D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.5125   -6.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -8.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0292   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -6.1875    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
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 18  4  1  0  0  0  0
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  5  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,744)
1745

>  <Formula> (1,744)
C24H22N4O2

>  <MolWeight> (1,744)
398.45708

>  <Cat> (1,744)
P3420

>  <Name> (1,744)
WAY-384934

>  <Synonyms> (1,744)
N/A

>  <Target> (1,744)
pyruvate kinase

>  <Form> (1,744)
free base

>  <CAS> (1,744)
498568-75-5

>  <URL> (1,744)
N/A

$$$$
WAY-388796
csChFnd80/09132309312D

 15 17  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
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 15 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,745)
1746

>  <Formula> (1,745)
C11H11ClN2S

>  <MolWeight> (1,745)
238.73644

>  <Cat> (1,745)
P3421

>  <Name> (1,745)
WAY-388796

>  <Synonyms> (1,745)
N/A

>  <Target> (1,745)
PDE5,PARP-1,PDE4,LIMK1,c-Met

>  <Form> (1,745)
free base

>  <CAS> (1,745)
40106-58-9

>  <URL> (1,745)
N/A

$$$$
WAY-388798
csChFnd80/09132309312D

 12 13  0  0  0  0  0  0  0  0999 V2000
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    4.1000   -1.0379    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
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M  END
>  <Mol_ID> (1,746)
1747

>  <Formula> (1,746)
C7H5ClN2OS

>  <MolWeight> (1,746)
200.6454

>  <Cat> (1,746)
P3422

>  <Name> (1,746)
WAY-388798

>  <Synonyms> (1,746)
N/A

>  <Target> (1,746)
GPR40,histone deacetylase,mGluR5 receptor

>  <Form> (1,746)
free base

>  <CAS> (1,746)
63417-81-2

>  <URL> (1,746)
N/A

$$$$
WAY-346940
csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
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 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
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 13  6  2  0  0  0  0
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 15 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,747)
1748

>  <Formula> (1,747)
C15H11ClN4O2S

>  <MolWeight> (1,747)
346.79144

>  <Cat> (1,747)
P3391

>  <Name> (1,747)
WAY-346940

>  <Synonyms> (1,747)
N/A

>  <Target> (1,747)
Rho

>  <Form> (1,747)
free base

>  <CAS> (1,747)
392246-66-1

>  <URL> (1,747)
N/A

$$$$
WAY-347243
csChFnd80/09132309312D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
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 11  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,748)
1749

>  <Formula> (1,748)
C11H13N3S

>  <MolWeight> (1,748)
219.30602

>  <Cat> (1,748)
P3392

>  <Name> (1,748)
WAY-347243

>  <Synonyms> (1,748)
N/A

>  <Target> (1,748)
Anti-infection

>  <Form> (1,748)
free base

>  <CAS> (1,748)
422298-69-9

>  <URL> (1,748)
N/A

$$$$
WAY-347626
csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
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  5  3  1  0  0  0  0
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 10  6  1  0  0  0  0
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 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
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 15  4  1  0  0  0  0
 16 20  1  0  0  0  0
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 22  7  1  0  0  0  0
 23 13  1  0  0  0  0
  5  2  1  0  0  0  0
  7 12  1  0  0  0  0
 11 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,749)
1750

>  <Formula> (1,749)
C17H15N3O3

>  <MolWeight> (1,749)
309.3193

>  <Cat> (1,749)
P3393

>  <Name> (1,749)
WAY-347626

>  <Synonyms> (1,749)
N/A

>  <Target> (1,749)
CDK2

>  <Form> (1,749)
free base

>  <CAS> (1,749)
756843-31-9

>  <URL> (1,749)
N/A

$$$$
WAY-347806
csChFnd80/09132309312D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Synonyms> (1,750)
N/A

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CK2,GSK3¦Â

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free base

>  <CAS> (1,750)
757198-76-8

>  <URL> (1,750)
N/A

$$$$
WAY-348144
csChFnd80/09132309312D

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1752

>  <Formula> (1,751)
C17H14N4O2S

>  <MolWeight> (1,751)
338.38366

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WAY-348144

>  <Synonyms> (1,751)
N/A

>  <Target> (1,751)
Casein kinase 1¦Ä

>  <Form> (1,751)
free base

>  <CAS> (1,751)
764694-25-9

>  <URL> (1,751)
N/A

$$$$
WAY-349807
csChFnd80/09132309312D

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1753

>  <Formula> (1,752)
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>  <Name> (1,752)
WAY-349807

>  <Synonyms> (1,752)
N/A

>  <Target> (1,752)
Pim-1

>  <Form> (1,752)
free base

>  <CAS> (1,752)
544662-95-5

>  <URL> (1,752)
N/A

$$$$
WAY-349858
csChFnd80/09132309312D

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>  <Mol_ID> (1,753)
1754

>  <Formula> (1,753)
C15H16N2O4S

>  <MolWeight> (1,753)
320.36354

>  <Cat> (1,753)
P3398

>  <Name> (1,753)
WAY-349858

>  <Synonyms> (1,753)
N/A

>  <Target> (1,753)
c-Jun N-terminal kinase

>  <Form> (1,753)
free base

>  <CAS> (1,753)
771503-50-5

>  <URL> (1,753)
N/A

$$$$
WAY-350732
csChFnd80/09132309312D

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 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,754)
1755

>  <Formula> (1,754)
C13H11BrN2O2S

>  <MolWeight> (1,754)
339.20764

>  <Cat> (1,754)
P3399

>  <Name> (1,754)
WAY-350732

>  <Synonyms> (1,754)
N/A

>  <Target> (1,754)
c-Jun N-terminal kinase

>  <Form> (1,754)
free base

>  <CAS> (1,754)
438602-71-2

>  <URL> (1,754)
N/A

$$$$
WAY-351429
csChFnd80/09132309312D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  8  6  1  0  0  0  0
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 11 13  1  0  0  0  0
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 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
 19 17  2  0  0  0  0
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 23 11  1  0  0  0  0
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 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 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
 24 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,755)
1756

>  <Formula> (1,755)
C21H23N3O4

>  <MolWeight> (1,755)
381.42502

>  <Cat> (1,755)
P3400

>  <Name> (1,755)
WAY-351429

>  <Synonyms> (1,755)
N/A

>  <Target> (1,755)
choline kinase

>  <Form> (1,755)
free base

>  <CAS> (1,755)
451474-95-6

>  <URL> (1,755)
N/A

$$$$
WAY-351783
csChFnd80/09132309312D

 30 32  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
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  5  8  3  0  0  0  0
  6 20  1  0  0  0  0
  7 22  1  0  0  0  0
  8  6  1  0  0  0  0
  9 12  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12 17  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  4  1  0  0  0  0
 16  3  2  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  0  0  0  0
 19  4  2  0  0  0  0
 20 24  2  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23  9  1  0  0  0  0
 24 17  1  0  0  0  0
 25 16  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
  7 21  1  0  0  0  0
 30 28  2  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,756)
1757

>  <Formula> (1,756)
C21H21ClN4O3S

>  <MolWeight> (1,756)
444.93444

>  <Cat> (1,756)
P3401

>  <Name> (1,756)
WAY-351783

>  <Synonyms> (1,756)
N/A

>  <Target> (1,756)
creatin kinase

>  <Form> (1,756)
free base

>  <CAS> (1,756)
460994-47-2

>  <URL> (1,756)
N/A

$$$$
WAY-351812
csChFnd80/09132309312D

 25 26  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9 13  1  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 13 22  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  2  0  0  0  0
 17  1  1  0  0  0  0
 18  2  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 22  1  0  0  0  0
  6  5  1  0  0  0  0
  9 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,757)
1758

>  <Formula> (1,757)
C15H14F3N3O3S

>  <MolWeight> (1,757)
373.3501696

>  <Cat> (1,757)
P3402

>  <Name> (1,757)
WAY-351812

>  <Synonyms> (1,757)
N/A

>  <Target> (1,757)
CDK8

>  <Form> (1,757)
free base

>  <CAS> (1,757)
471289-61-9

>  <URL> (1,757)
N/A

$$$$
WAY-352098
csChFnd80/09132309312D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 26 28  1  0  0  0  0
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M  END
>  <Mol_ID> (1,758)
1759

>  <Formula> (1,758)
C17H12F3N5O2S

>  <MolWeight> (1,758)
407.3696896

>  <Cat> (1,758)
P3403

>  <Name> (1,758)
WAY-352098

>  <Synonyms> (1,758)
N/A

>  <Target> (1,758)
PDK1,CRTH2

>  <Form> (1,758)
free base

>  <CAS> (1,758)
482643-39-0

>  <URL> (1,758)
N/A

$$$$
WAY-352753
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,759)
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C14H10ClN3OS

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303.7667

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WAY-352753

>  <Synonyms> (1,759)
N/A

>  <Target> (1,759)
GSK-3

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free base

>  <CAS> (1,759)
478482-74-5

>  <URL> (1,759)
N/A

$$$$
WAY-353591
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,760)
1761

>  <Formula> (1,760)
C16H12FN3S

>  <MolWeight> (1,760)
297.3499832

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P3406

>  <Name> (1,760)
WAY-353591

>  <Synonyms> (1,760)
N/A

>  <Target> (1,760)
Casein kinase 1d

>  <Form> (1,760)
free base

>  <CAS> (1,760)
454427-09-9

>  <URL> (1,760)
N/A

$$$$
WAY-353890
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,761)
1762

>  <Formula> (1,761)
C17H13FN4O

>  <MolWeight> (1,761)
308.3097232

>  <Cat> (1,761)
P3407

>  <Name> (1,761)
WAY-353890

>  <Synonyms> (1,761)
N/A

>  <Target> (1,761)
FGFR1

>  <Form> (1,761)
free base

>  <CAS> (1,761)
459137-97-4

>  <URL> (1,761)
N/A

$$$$
WAY-354189
csChFnd80/09132309312D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,762)
1763

>  <Formula> (1,762)
C15H12Cl2N2O4S

>  <MolWeight> (1,762)
387.23778

>  <Cat> (1,762)
P3408

>  <Name> (1,762)
WAY-354189

>  <Synonyms> (1,762)
N/A

>  <Target> (1,762)
JAK-STAT

>  <Form> (1,762)
free base

>  <CAS> (1,762)
850019-35-1

>  <URL> (1,762)
N/A

$$$$
GI-570261
csChFnd80/09132309312D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,763)
1764

>  <Formula> (1,763)
C22H19N5O3S

>  <MolWeight> (1,763)
433.48296

>  <Cat> (1,763)
P3261

>  <Name> (1,763)
GI-570261

>  <Synonyms> (1,763)
N/A

>  <Target> (1,763)
LRP5/6-sclerostin interaction,phosphatidylin

>  <Form> (1,763)
free base

>  <CAS> (1,763)
301357-76-6

>  <URL> (1,763)
N/A

$$$$
WAY-352835
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,764)
1765

>  <Formula> (1,764)
C16H15N3OS

>  <MolWeight> (1,764)
297.3748

>  <Cat> (1,764)
P3405

>  <Name> (1,764)
WAY-352835

>  <Synonyms> (1,764)
N/A

>  <Target> (1,764)
tyrosine kinase

>  <Form> (1,764)
free base

>  <CAS> (1,764)
401638-52-6

>  <URL> (1,764)
N/A

$$$$
WAY-354890
csChFnd80/09132309312D

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 14  4  1  0  0  0  0
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M  END
>  <Mol_ID> (1,765)
1766

>  <Formula> (1,765)
C17H16FN3S

>  <MolWeight> (1,765)
313.3924432

>  <Cat> (1,765)
P3410

>  <Name> (1,765)
WAY-354890

>  <Synonyms> (1,765)
N/A

>  <Target> (1,765)
EGFR 

>  <Form> (1,765)
free base

>  <CAS> (1,765)
852407-49-9

>  <URL> (1,765)
N/A

$$$$
WAY-355772
csChFnd80/09132309312D

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 11  8  1  0  0  0  0
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 13  8  2  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,766)
1767

>  <Formula> (1,766)
C19H13F3N2O4S

>  <MolWeight> (1,766)
422.3777296

>  <Cat> (1,766)
P3411

>  <Name> (1,766)
WAY-355772

>  <Synonyms> (1,766)
N/A

>  <Target> (1,766)
serine/threonine kinase

>  <Form> (1,766)
free base

>  <CAS> (1,766)
442658-33-5

>  <URL> (1,766)
N/A

$$$$
WAY-357919
csChFnd80/09132309312D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
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 17 23  1  0  0  0  0
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M  END
>  <Mol_ID> (1,767)
1768

>  <Formula> (1,767)
C18H16N2O2S

>  <MolWeight> (1,767)
324.39684

>  <Cat> (1,767)
P3412

>  <Name> (1,767)
WAY-357919

>  <Synonyms> (1,767)
N/A

>  <Target> (1,767)
VEGFR

>  <Form> (1,767)
free base

>  <CAS> (1,767)
298207-77-9

>  <URL> (1,767)
N/A

$$$$
WAY-358024
csChFnd80/09132309312D

 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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M  END
>  <Mol_ID> (1,768)
1769

>  <Formula> (1,768)
C15H11N3O3

>  <MolWeight> (1,768)
281.26614

>  <Cat> (1,768)
P3413

>  <Name> (1,768)
WAY-358024

>  <Synonyms> (1,768)
N/A

>  <Target> (1,768)
GSK-3b

>  <Form> (1,768)
free base

>  <CAS> (1,768)
70169-39-0

>  <URL> (1,768)
N/A

$$$$
WAY-358667-A
csChFnd80/09132309312D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,769)
1770

>  <Formula> (1,769)
C12H8N2S2

>  <MolWeight> (1,769)
244.33532

>  <Cat> (1,769)
P3414

>  <Name> (1,769)
WAY-358667-A

>  <Synonyms> (1,769)
N/A

>  <Target> (1,769)
Human protein kinase CK2

>  <Form> (1,769)
free base

>  <CAS> (1,769)
182198-89-6

>  <URL> (1,769)
N/A

$$$$
WAY-358981
csChFnd80/09132309312D

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 16  9  1  0  0  0  0
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  3  5  2  0  0  0  0
 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,770)
1771

>  <Formula> (1,770)
C14H12N4O

>  <MolWeight> (1,770)
252.27128

>  <Cat> (1,770)
P3415

>  <Name> (1,770)
WAY-358981

>  <Synonyms> (1,770)
N/A

>  <Target> (1,770)
sphingosine kinase

>  <Form> (1,770)
free base

>  <CAS> (1,770)
307322-32-3

>  <URL> (1,770)
N/A

$$$$
WAY-359594
csChFnd80/09132309312D

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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
 14 17  2  0  0  0  0
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 18 15  2  0  0  0  0
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 20  7  2  0  0  0  0
 21  9  2  0  0  0  0
 22  8  2  0  0  0  0
 23 10  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 22  1  0  0  0  0
 10  4  2  0  0  0  0
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 27 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,771)
1772

>  <Formula> (1,771)
C23H21N3O2

>  <MolWeight> (1,771)
371.43174

>  <Cat> (1,771)
P3416

>  <Name> (1,771)
WAY-359594

>  <Synonyms> (1,771)
N/A

>  <Target> (1,771)
G protein coupled receptor 6 kinase

>  <Form> (1,771)
free base

>  <CAS> (1,771)
33495-39-5

>  <URL> (1,771)
N/A

$$$$
WAY-381785
csChFnd80/09132309312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 14  5  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> (1,772)
1773

>  <Formula> (1,772)
C20H23N3O

>  <MolWeight> (1,772)
321.41612

>  <Cat> (1,772)
P3417

>  <Name> (1,772)
WAY-381785

>  <Synonyms> (1,772)
N/A

>  <Target> (1,772)
GSK3

>  <Form> (1,772)
free base

>  <CAS> (1,772)
511239-29-5

>  <URL> (1,772)
N/A

$$$$
WAY-313201
csChFnd80/09132309312D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,773)
1774

>  <Formula> (1,773)
C12H12N2O3S

>  <MolWeight> (1,773)
264.30028

>  <Cat> (1,773)
P3320

>  <Name> (1,773)
WAY-313201

>  <Synonyms> (1,773)
N/A

>  <Target> (1,773)
 GSK-3b

>  <Form> (1,773)
free base

>  <CAS> (1,773)
571904-77-3

>  <URL> (1,773)
N/A

$$$$
WAY-311972
csChFnd80/09132309312D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,774)
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>  <Formula> (1,774)
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WAY-311972

>  <Synonyms> (1,774)
N/A

>  <Target> (1,774)
ATP-kinases

>  <Form> (1,774)
free base

>  <CAS> (1,774)
606948-76-9

>  <URL> (1,774)
N/A

$$$$
WAY-113178
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,775)
1776

>  <Formula> (1,775)
C21H17N3O3S

>  <MolWeight> (1,775)
391.44298

>  <Cat> (1,775)
P3263

>  <Name> (1,775)
WAY-113178

>  <Synonyms> (1,775)
N/A

>  <Target> (1,775)
IkB kinase-beta 

>  <Form> (1,775)
free base

>  <CAS> (1,775)
638999-98-1

>  <URL> (1,775)
N/A

$$$$
WAY-225588
csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,776)
1777

>  <Formula> (1,776)
C17H15N3O

>  <MolWeight> (1,776)
277.3205

>  <Cat> (1,776)
P3267

>  <Name> (1,776)
WAY-225588

>  <Synonyms> (1,776)
N/A

>  <Target> (1,776)
GRK6

>  <Form> (1,776)
free base

>  <CAS> (1,776)
6765-52-2

>  <URL> (1,776)
N/A

$$$$
WAY-312602
csChFnd80/09132309312D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,777)
1778

>  <Formula> (1,777)
C17H17N5O3

>  <MolWeight> (1,777)
339.34858

>  <Cat> (1,777)
P3318

>  <Name> (1,777)
WAY-312602

>  <Synonyms> (1,777)
N/A

>  <Target> (1,777)
maternal embryonic leucine zipper kinase

>  <Form> (1,777)
free base

>  <CAS> (1,777)
681266-13-7

>  <URL> (1,777)
N/A

$$$$
WAY-344977
csChFnd80/09132309312D

 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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 14  3  1  0  0  0  0
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 19  4  2  0  0  0  0
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M  END
>  <Mol_ID> (1,778)
1779

>  <Formula> (1,778)
C17H17ClN4O2S

>  <MolWeight> (1,778)
376.86048

>  <Cat> (1,778)
P3389

>  <Name> (1,778)
WAY-344977

>  <Synonyms> (1,778)
N/A

>  <Target> (1,778)
GSK-3

>  <Form> (1,778)
free base

>  <CAS> (1,778)
686743-57-7

>  <URL> (1,778)
N/A

$$$$
WAY-310507
csChFnd80/09132309312D

 18 20  0  0  0  0  0  0  0  0999 V2000
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WAY-310507

>  <Synonyms> (1,779)
N/A

>  <Target> (1,779)
Anti-infection

>  <Form> (1,779)
free base

>  <CAS> (1,779)
686743-93-1

>  <URL> (1,779)
N/A

$$$$
WAY-310944
csChFnd80/09132309312D

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>  <Mol_ID> (1,780)
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WAY-310944

>  <Synonyms> (1,780)
N/A

>  <Target> (1,780)
Anti-infection

>  <Form> (1,780)
free base

>  <CAS> (1,780)
688335-53-7

>  <URL> (1,780)
N/A

$$$$
WAY-310334
csChFnd80/09132309312D

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>  <Mol_ID> (1,781)
1782

>  <Formula> (1,781)
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>  <MolWeight> (1,781)
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P3310

>  <Name> (1,781)
WAY-310334

>  <Synonyms> (1,781)
N/A

>  <Target> (1,781)
mPGES-1,human protein kinase CK2

>  <Form> (1,781)
free base

>  <CAS> (1,781)
688335-72-0

>  <URL> (1,781)
N/A

$$$$
WAY-310819
csChFnd80/09132309312D

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1783

>  <Formula> (1,782)
C15H14BrN5O3S

>  <MolWeight> (1,782)
424.27236

>  <Cat> (1,782)
P3312

>  <Name> (1,782)
WAY-310819

>  <Synonyms> (1,782)
N/A

>  <Target> (1,782)
B-Raf

>  <Form> (1,782)
free base

>  <CAS> (1,782)
326918-98-3

>  <URL> (1,782)
N/A

$$$$
CL-59089
csChFnd80/09132309312D

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>  <Formula> (1,783)
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>  <MolWeight> (1,783)
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>  <Cat> (1,783)
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>  <Name> (1,783)
CL-59089

>  <Synonyms> (1,783)
N/A

>  <Target> (1,783)
sirtuin,Rho,CDK

>  <Form> (1,783)
free base

>  <CAS> (1,783)
3008-61-5

>  <URL> (1,783)
N/A

$$$$
WAY-616312
csChFnd80/09132309312D

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>  <Formula> (1,784)
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>  <MolWeight> (1,784)
423.25004

>  <Cat> (1,784)
P3454

>  <Name> (1,784)
WAY-616312

>  <Synonyms> (1,784)
N/A

>  <Target> (1,784)
sirtuin,Rho,CDK

>  <Form> (1,784)
free base

>  <CAS> (1,784)
730946-98-2

>  <URL> (1,784)
N/A

$$$$
WAY-624687
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,785)
1786

>  <Formula> (1,785)
C13H9N5S2

>  <MolWeight> (1,785)
299.37406

>  <Cat> (1,785)
P3465

>  <Name> (1,785)
WAY-624687

>  <Synonyms> (1,785)
N/A

>  <Target> (1,785)
GSK3

>  <Form> (1,785)
free base

>  <CAS> (1,785)
753473-65-3

>  <URL> (1,785)
N/A

$$$$
WAY-330162
csChFnd80/09132309312D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  5  1  1  0  0  0  0
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  7 17  1  0  0  0  0
  8  5  1  0  0  0  0
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 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
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 15  2  2  0  0  0  0
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 18  6  2  0  0  0  0
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 30 25  1  0  0  0  0
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 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,786)
1787

>  <Formula> (1,786)
C22H26N2O5S

>  <MolWeight> (1,786)
430.51724

>  <Cat> (1,786)
P3377

>  <Name> (1,786)
WAY-330162

>  <Synonyms> (1,786)
N/A

>  <Target> (1,786)
Kinase

>  <Form> (1,786)
free base

>  <CAS> (1,786)
868963-46-6

>  <URL> (1,786)
N/A

$$$$
WAY-333883
csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
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  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
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 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
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 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,787)
1788

>  <Formula> (1,787)
C16H16Cl2N4O

>  <MolWeight> (1,787)
351.23044

>  <Cat> (1,787)
P3382

>  <Name> (1,787)
WAY-333883

>  <Synonyms> (1,787)
N/A

>  <Target> (1,787)
pyruvate kinase

>  <Form> (1,787)
free base

>  <CAS> (1,787)
863448-35-5

>  <URL> (1,787)
N/A

$$$$
WAY-333875
csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  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> (1,788)
1789

>  <Formula> (1,788)
C16H16ClFN4O

>  <MolWeight> (1,788)
334.7758432

>  <Cat> (1,788)
P3380

>  <Name> (1,788)
WAY-333875

>  <Synonyms> (1,788)
N/A

>  <Target> (1,788)
pyruvate kinase

>  <Form> (1,788)
free base

>  <CAS> (1,788)
863448-22-0

>  <URL> (1,788)
N/A

$$$$
WAY-333878
csChFnd80/09132309312D

 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
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  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> (1,789)
1790

>  <Formula> (1,789)
C18H22N4O

>  <MolWeight> (1,789)
310.39348

>  <Cat> (1,789)
P3381

>  <Name> (1,789)
WAY-333878

>  <Synonyms> (1,789)
N/A

>  <Target> (1,789)
pyruvate kinase

>  <Form> (1,789)
free base

>  <CAS> (1,789)
863448-25-3

>  <URL> (1,789)
N/A

$$$$
WAY-329412
csChFnd80/09132309312D

 33 37  0  0  0  0  0  0  0  0999 V2000
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439.5057

>  <Cat> (1,790)
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>  <Synonyms> (1,790)
N/A

>  <Target> (1,790)
Abl

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free base

>  <CAS> (1,790)
943932-69-2

>  <URL> (1,790)
N/A

$$$$
WAY-329689
csChFnd80/09132309312D

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>  <Synonyms> (1,791)
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>  <Target> (1,791)
Abl

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free base

>  <CAS> (1,791)
943934-76-7

>  <URL> (1,791)
N/A

$$$$
WAY-329424
csChFnd80/09132309312D

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>  <Synonyms> (1,792)
N/A

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Abl

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free base

>  <CAS> (1,792)
943933-52-6

>  <URL> (1,792)
N/A

$$$$
WAY-329686
csChFnd80/09132309312D

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N/A

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WAY-329410
csChFnd80/09132309312D

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Abl

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943932-62-5

>  <URL> (1,794)
N/A

$$$$
WAY-329685
csChFnd80/09132309312D

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>  <Name> (1,795)
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>  <Synonyms> (1,795)
N/A

>  <Target> (1,795)
Abl

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free base

>  <CAS> (1,795)
943934-25-6

>  <URL> (1,795)
N/A

$$$$
WAY-329423
csChFnd80/09132309312D

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Abl

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free base

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943933-49-1

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N/A

$$$$
WAY-329356
csChFnd80/09132309312D

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N/A

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WAY-329341
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Abl

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free base

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943931-29-1

>  <URL> (1,798)
N/A

$$$$
WAY-329340
csChFnd80/09132309312D

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Abl

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free base

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943931-23-5

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N/A

$$$$
WAY-641918
csChFnd80/09132309312D

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TAO kinase

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free base

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850467-77-5

>  <URL> (1,800)
N/A

$$$$
WAY-278459-A
csChFnd80/09132309312D

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>  <Formula> (1,801)
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>  <Synonyms> (1,801)
N/A

>  <Target> (1,801)
Plasmodium falciparum Apical Membrane Antige

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free base

>  <CAS> (1,801)
105512-88-7

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N/A

$$$$
WAY-643895
csChFnd80/09132309312D

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   -0.8708   -2.1042    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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  3  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  2  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  2  0  0  0  0
  8  9  2  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,802)
1803

>  <Formula> (1,802)
C11H7N3OS

>  <MolWeight> (1,802)
229.25778

>  <Cat> (1,802)
P3503

>  <Name> (1,802)
WAY-643895

>  <Synonyms> (1,802)
N/A

>  <Target> (1,802)
Casein kinase 1¦Ä

>  <Form> (1,802)
free base

>  <CAS> (1,802)
851871-94-8

>  <URL> (1,802)
N/A

$$$$
WAY-278559-A
csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.2421    1.1915    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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  2  6  1  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 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
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,803)
1804

>  <Formula> (1,803)
C17H23N3O

>  <MolWeight> (1,803)
285.38402

>  <Cat> (1,803)
P3294

>  <Name> (1,803)
WAY-278559-A

>  <Synonyms> (1,803)
N/A

>  <Target> (1,803)
ethanolamine kinase

>  <Form> (1,803)
free base

>  <CAS> (1,803)
301330-81-4

>  <URL> (1,803)
N/A

$$$$
WAY-642481
csChFnd80/09132309312D

 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  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13 17  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21 20  1  0  0  0  0
  6  4  1  0  0  0  0
 18 21  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,804)
1805

>  <Formula> (1,804)
C17H16N2OS

>  <MolWeight> (1,804)
296.38674

>  <Cat> (1,804)
P3501

>  <Name> (1,804)
WAY-642481

>  <Synonyms> (1,804)
N/A

>  <Target> (1,804)
CDK

>  <Form> (1,804)
free base

>  <CAS> (1,804)
22312-45-4

>  <URL> (1,804)
N/A

$$$$
WAY-643632-A
csChFnd80/09132309312D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.7917    0.7208    0.0000 N   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  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 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
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6  2  2  0  0  0  0
M  END
>  <Mol_ID> (1,805)
1806

>  <Formula> (1,805)
C11H14N2O2

>  <MolWeight> (1,805)
206.24106

>  <Cat> (1,805)
P3502

>  <Name> (1,805)
WAY-643632-A

>  <Synonyms> (1,805)
N/A

>  <Target> (1,805)
SRC kinase,TTX-S channel

>  <Form> (1,805)
free base

>  <CAS> (1,805)
500356-88-7

>  <URL> (1,805)
N/A

$$$$
WAY-616763
csChFnd80/09132309312D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  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
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 21  1  0  0  0  0
 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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 24 17  1  0  0  0  0
 25 14  1  0  0  0  0
 26 20  1  0  0  0  0
 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> (1,806)
1807

>  <Formula> (1,806)
C18H15Cl2N3O4S

>  <MolWeight> (1,806)
440.3004

>  <Cat> (1,806)
P3456

>  <Name> (1,806)
WAY-616763

>  <Synonyms> (1,806)
N/A

>  <Target> (1,806)
Anti-infection

>  <Form> (1,806)
free base

>  <CAS> (1,806)
735303-62-5

>  <URL> (1,806)
N/A

$$$$
WAY-642424
csChFnd80/09132309312D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 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> (1,807)
1808

>  <Formula> (1,807)
C19H14FN5OS

>  <MolWeight> (1,807)
379.4107632

>  <Cat> (1,807)
P3500

>  <Name> (1,807)
WAY-642424

>  <Synonyms> (1,807)
N/A

>  <Target> (1,807)
Casein kinase 1¦Ä

>  <Form> (1,807)
free base

>  <CAS> (1,807)
851396-73-1

>  <URL> (1,807)
N/A

$$$$
WAY-329592
csChFnd80/09132309312D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
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 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> (1,808)
1809

>  <Formula> (1,808)
C22H25BrN2O4S

>  <MolWeight> (1,808)
493.4139

>  <Cat> (1,808)
P3368

>  <Name> (1,808)
WAY-329592

>  <Synonyms> (1,808)
N/A

>  <Target> (1,808)
tyrosine kinase

>  <Form> (1,808)
free base

>  <CAS> (1,808)
868963-53-5

>  <URL> (1,808)
N/A

$$$$
WAY-333939
csChFnd80/09132309312D

 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> (1,809)
1810

>  <Formula> (1,809)
C19H21N5O2

>  <MolWeight> (1,809)
351.40234

>  <Cat> (1,809)
P3384

>  <Name> (1,809)
WAY-333939

>  <Synonyms> (1,809)
N/A

>  <Target> (1,809)
Anti-infection

>  <Form> (1,809)
free base

>  <CAS> (1,809)
689268-14-2

>  <URL> (1,809)
N/A

$$$$
WAY-333908
csChFnd80/09132309312D

 25 28  0  0  0  0  0  0  0  0999 V2000
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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
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  7  2  1  0  0  0  0
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 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
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 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> (1,810)
1811

>  <Formula> (1,810)
C17H12N6O2

>  <MolWeight> (1,810)
332.31618

>  <Cat> (1,810)
P3383

>  <Name> (1,810)
WAY-333908

>  <Synonyms> (1,810)
N/A

>  <Target> (1,810)
others

>  <Form> (1,810)
free base

>  <CAS> (1,810)
689269-24-7

>  <URL> (1,810)
N/A

$$$$
WAY-333945
csChFnd80/09132309312D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
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 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> (1,811)
1812

>  <Formula> (1,811)
C17H13N5O2S

>  <MolWeight> (1,811)
351.38242

>  <Cat> (1,811)
P3385

>  <Name> (1,811)
WAY-333945

>  <Synonyms> (1,811)
N/A

>  <Target> (1,811)
Anti-infection

>  <Form> (1,811)
free base

>  <CAS> (1,811)
689273-45-8

>  <URL> (1,811)
N/A

$$$$
WAY-616584
csChFnd80/09132309312D

 22 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,812)
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WAY-616584

>  <Synonyms> (1,812)
N/A

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Casein kinase 1¦Ä

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free base

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695223-53-1

>  <URL> (1,812)
N/A

$$$$
WAY-625530
csChFnd80/09132309312D

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>  <Mol_ID> (1,813)
1814

>  <Formula> (1,813)
C22H18ClFN2O3

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412.8413232

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P3466

>  <Name> (1,813)
WAY-625530

>  <Synonyms> (1,813)
N/A

>  <Target> (1,813)
FGFR1

>  <Form> (1,813)
free base

>  <CAS> (1,813)
956782-57-3

>  <URL> (1,813)
N/A

$$$$
WAY-625741
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,814)
1815

>  <Formula> (1,814)
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343.35712

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>  <Name> (1,814)
WAY-625741

>  <Synonyms> (1,814)
N/A

>  <Target> (1,814)
Casein kinase 1d

>  <Form> (1,814)
free base

>  <CAS> (1,814)
756857-71-3

>  <URL> (1,814)
N/A

$$$$
WAY-626116
csChFnd80/09132309312D

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>  <Mol_ID> (1,815)
1816

>  <Formula> (1,815)
C20H14FN3O4S2

>  <MolWeight> (1,815)
443.4712632

>  <Cat> (1,815)
P3468

>  <Name> (1,815)
WAY-626116

>  <Synonyms> (1,815)
N/A

>  <Target> (1,815)
Casein kinase 1d

>  <Form> (1,815)
free base

>  <CAS> (1,815)
753468-25-6

>  <URL> (1,815)
N/A

$$$$
WAY-273170
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,816)
1817

>  <Formula> (1,816)
C19H13ClN4O2S

>  <MolWeight> (1,816)
396.85012

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P3289

>  <Name> (1,816)
WAY-273170

>  <Synonyms> (1,816)
N/A

>  <Target> (1,816)
Myt1

>  <Form> (1,816)
free base

>  <CAS> (1,816)
478247-52-8

>  <URL> (1,816)
N/A

$$$$
WAY-277054
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,817)
1818

>  <Formula> (1,817)
C16H11ClFN3OS2

>  <MolWeight> (1,817)
379.8594432

>  <Cat> (1,817)
P3290

>  <Name> (1,817)
WAY-277054

>  <Synonyms> (1,817)
N/A

>  <Target> (1,817)
tyrosine kinase

>  <Form> (1,817)
free base

>  <CAS> (1,817)
753467-39-9?

>  <URL> (1,817)
N/A

$$$$
WAY-336715
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,818)
1819

>  <Formula> (1,818)
C21H20N4OS

>  <MolWeight> (1,818)
376.4747

>  <Cat> (1,818)
P3386

>  <Name> (1,818)
WAY-336715

>  <Synonyms> (1,818)
N/A

>  <Target> (1,818)
CDK8

>  <Form> (1,818)
free base

>  <CAS> (1,818)
451458-32-5

>  <URL> (1,818)
N/A

$$$$
WAY-337647
csChFnd80/09132309312D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,819)
1820

>  <Formula> (1,819)
C15H12ClNO4

>  <MolWeight> (1,819)
305.71308

>  <Cat> (1,819)
P3387

>  <Name> (1,819)
WAY-337647

>  <Synonyms> (1,819)
N/A

>  <Target> (1,819)
f mitogen-activated protein kinase kinase 4

>  <Form> (1,819)
free base

>  <CAS> (1,819)
1402605-80-4

>  <URL> (1,819)
N/A

$$$$
WAY-612453
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,820)
1821

>  <Formula> (1,820)
C9H8Cl2N4S

>  <MolWeight> (1,820)
275.15762

>  <Cat> (1,820)
P3446

>  <Name> (1,820)
WAY-612453

>  <Synonyms> (1,820)
N/A

>  <Target> (1,820)
Anti-infection

>  <Form> (1,820)
free base

>  <CAS> (1,820)
300809-10-3

>  <URL> (1,820)
N/A

$$$$
WAY-612622
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,821)
1822

>  <Formula> (1,821)
C16H11FN2O2

>  <MolWeight> (1,821)
282.2691432

>  <Cat> (1,821)
P3447

>  <Name> (1,821)
WAY-612622

>  <Synonyms> (1,821)
N/A

>  <Target> (1,821)
CDK

>  <Form> (1,821)
free base

>  <CAS> (1,821)
288401-60-5

>  <URL> (1,821)
N/A

$$$$
WAY-612698
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,822)
1823

>  <Formula> (1,822)
C17H19NO4S

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333.40206

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P3448

>  <Name> (1,822)
WAY-612698

>  <Synonyms> (1,822)
N/A

>  <Target> (1,822)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,822)
free base

>  <CAS> (1,822)
565191-45-9

>  <URL> (1,822)
N/A

$$$$
WAY-612763
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,823)
1824

>  <Formula> (1,823)
C21H15ClF3N3O5

>  <MolWeight> (1,823)
481.8091096

>  <Cat> (1,823)
P3449

>  <Name> (1,823)
WAY-612763

>  <Synonyms> (1,823)
N/A

>  <Target> (1,823)
YycG histidine kinase

>  <Form> (1,823)
free base

>  <CAS> (1,823)
479060-67-8

>  <URL> (1,823)
N/A

$$$$
WAY-630308
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,824)
1825

>  <Formula> (1,824)
C16H21N3O3

>  <MolWeight> (1,824)
303.35624

>  <Cat> (1,824)
P3469

>  <Name> (1,824)
WAY-630308

>  <Synonyms> (1,824)
N/A

>  <Target> (1,824)
Casein kinase 1¦Ä

>  <Form> (1,824)
free base

>  <CAS> (1,824)
326034-30-4

>  <URL> (1,824)
N/A

$$$$
WAY-630363
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,825)
1826

>  <Formula> (1,825)
C19H15N3O3S

>  <MolWeight> (1,825)
365.4057

>  <Cat> (1,825)
P3470

>  <Name> (1,825)
WAY-630363

>  <Synonyms> (1,825)
N/A

>  <Target> (1,825)
Casein kinase 1¦Ä

>  <Form> (1,825)
free base

>  <CAS> (1,825)
729579-66-2

>  <URL> (1,825)
N/A

$$$$
WAY-647361
csChFnd80/09132309312D

 14 15  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,826)
1827

>  <Formula> (1,826)
C8H6N2O4

>  <MolWeight> (1,826)
194.14424

>  <Cat> (1,826)
P3504

>  <Name> (1,826)
WAY-647361

>  <Synonyms> (1,826)
N/A

>  <Target> (1,826)
 PI3K

>  <Form> (1,826)
free base

>  <CAS> (1,826)
852399-94-1

>  <URL> (1,826)
N/A

$$$$
WAY-647636
csChFnd80/09132309312D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,827)
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P3505

>  <Name> (1,827)
WAY-647636

>  <Synonyms> (1,827)
N/A

>  <Target> (1,827)
Casein kinase 1¦Ä

>  <Form> (1,827)
free base

>  <CAS> (1,827)
556055-08-4

>  <URL> (1,827)
N/A

$$$$
WAY-647729
csChFnd80/09132309312D

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 16  6  2  0  0  0  0
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M  END
>  <Mol_ID> (1,828)
1829

>  <Formula> (1,828)
C16H11N3OS

>  <MolWeight> (1,828)
293.34304

>  <Cat> (1,828)
P3506

>  <Name> (1,828)
WAY-647729

>  <Synonyms> (1,828)
N/A

>  <Target> (1,828)
CDK

>  <Form> (1,828)
free base

>  <CAS> (1,828)
852678-17-2

>  <URL> (1,828)
N/A

$$$$
WAY-647766
csChFnd80/09132309312D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,829)
1830

>  <Formula> (1,829)
C16H12N6S

>  <MolWeight> (1,829)
320.37168

>  <Cat> (1,829)
P3507

>  <Name> (1,829)
WAY-647766

>  <Synonyms> (1,829)
N/A

>  <Target> (1,829)
Casein kinase 1¦Ä

>  <Form> (1,829)
free base

>  <CAS> (1,829)
851168-98-4

>  <URL> (1,829)
N/A

$$$$
WAY-647802
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,830)
1831

>  <Formula> (1,830)
C11H14N4O3

>  <MolWeight> (1,830)
250.25386

>  <Cat> (1,830)
P3508

>  <Name> (1,830)
WAY-647802

>  <Synonyms> (1,830)
N/A

>  <Target> (1,830)
EGFR,CDK4 and 6

>  <Form> (1,830)
free base

>  <CAS> (1,830)
852225-20-8

>  <URL> (1,830)
N/A

$$$$
WAY-648936
csChFnd80/09132309312D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,831)
1832

>  <Formula> (1,831)
C13H10N4O

>  <MolWeight> (1,831)
238.2447

>  <Cat> (1,831)
P3509

>  <Name> (1,831)
WAY-648936

>  <Synonyms> (1,831)
N/A

>  <Target> (1,831)
CDK

>  <Form> (1,831)
free base

>  <CAS> (1,831)
796888-73-8

>  <URL> (1,831)
N/A

$$$$
WAY-649123
csChFnd80/09132309312D

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801244-46-2

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N/A

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WL-300778
csChFnd80/09132309312D

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N/A

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WAY-333175
csChFnd80/09132309312D

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free base

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N/A

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WAY-333184
csChFnd80/09132309312D

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WAY-643018
csChFnd80/09132309312D

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N/A

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WAY-332616
csChFnd80/09132309312D

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pyruvate kinase

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free base

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N/A

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WAY-332647
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,838)
1839

>  <Formula> (1,838)
C19H21NO3S

>  <MolWeight> (1,838)
343.43994

>  <Cat> (1,838)
P3767

>  <Name> (1,838)
WAY-332647

>  <Synonyms> (1,838)
N/A

>  <Target> (1,838)
pyruvate kinase

>  <Form> (1,838)
free base

>  <CAS> (1,838)
902516-53-4

>  <URL> (1,838)
N/A

$$$$
WAY-625135
csChFnd80/09132309312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  2  0  0  0  0
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 20 19  1  0  0  0  0
 15 14  2  0  0  0  0
  4  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,839)
1840

>  <Formula> (1,839)
C14H12N2O3S

>  <MolWeight> (1,839)
288.32168

>  <Cat> (1,839)
P3707

>  <Name> (1,839)
WAY-625135

>  <Synonyms> (1,839)
N/A

>  <Target> (1,839)
Casein kinase 1¦Ä

>  <Form> (1,839)
free base

>  <CAS> (1,839)
756865-45-9

>  <URL> (1,839)
N/A

$$$$
WAY-626309
csChFnd80/09132309312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
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 16  4  1  0  0  0  0
 17 12  1  0  0  0  0
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 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
  8  7  2  0  0  0  0
  9 14  2  0  0  0  0
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M  END
>  <Mol_ID> (1,840)
1841

>  <Formula> (1,840)
C19H16N2O2S

>  <MolWeight> (1,840)
336.40754

>  <Cat> (1,840)
P3765

>  <Name> (1,840)
WAY-626309

>  <Synonyms> (1,840)
N/A

>  <Target> (1,840)
c-Jun N-terminal kinase

>  <Form> (1,840)
free base

>  <CAS> (1,840)
756849-36-2

>  <URL> (1,840)
N/A

$$$$
WAY-646458
csChFnd80/09132309312D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11  9  2  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
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 16  5  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  2  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
  5  2  1  0  0  0  0
 12 13  2  0  0  0  0
 20 16  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,841)
1842

>  <Formula> (1,841)
C16H10N2O2

>  <MolWeight> (1,841)
262.2628

>  <Cat> (1,841)
P3706

>  <Name> (1,841)
WAY-646458

>  <Synonyms> (1,841)
N/A

>  <Target> (1,841)
Casein kinase 1d

>  <Form> (1,841)
free base

>  <CAS> (1,841)
852413-92-4

>  <URL> (1,841)
N/A

$$$$
WAY-313318
csChFnd80/09132309312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,842)
1843

>  <Formula> (1,842)
C13H10Cl2N4

>  <MolWeight> (1,842)
293.1513

>  <Cat> (1,842)
P3734

>  <Name> (1,842)
WAY-313318

>  <Synonyms> (1,842)
N/A

>  <Target> (1,842)
RSK2

>  <Form> (1,842)
free base

>  <CAS> (1,842)
351993-88-9

>  <URL> (1,842)
N/A

$$$$
WAY-239448
csChFnd80/09132309312D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,843)
1844

>  <Formula> (1,843)
C11H12N2S2

>  <MolWeight> (1,843)
236.35638

>  <Cat> (1,843)
P3683

>  <Name> (1,843)
WAY-239448

>  <Synonyms> (1,843)
N/A

>  <Target> (1,843)
CK2,Anti-infection

>  <Form> (1,843)
free base

>  <CAS> (1,843)
314260-78-1

>  <URL> (1,843)
N/A

$$$$
WAY-299562
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,844)
1845

>  <Formula> (1,844)
C16H13NO3

>  <MolWeight> (1,844)
267.27932

>  <Cat> (1,844)
P3698

>  <Name> (1,844)
WAY-299562

>  <Synonyms> (1,844)
N/A

>  <Target> (1,844)
PKA,AKAP

>  <Form> (1,844)
free base

>  <CAS> (1,844)
299934-88-6

>  <URL> (1,844)
N/A

$$$$
WAY-300507
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,845)
1846

>  <Formula> (1,845)
C18H15NO3S2

>  <MolWeight> (1,845)
357.4466

>  <Cat> (1,845)
P3774

>  <Name> (1,845)
WAY-300507

>  <Synonyms> (1,845)
N/A

>  <Target> (1,845)
beta-catenin,MKK4

>  <Form> (1,845)
free base

>  <CAS> (1,845)
301688-74-4

>  <URL> (1,845)
N/A

$$$$
WAY-301524-A
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,846)
1847

>  <Formula> (1,846)
C15H13N3O2S

>  <MolWeight> (1,846)
299.34762

>  <Cat> (1,846)
P3725

>  <Name> (1,846)
WAY-301524-A

>  <Synonyms> (1,846)
N/A

>  <Target> (1,846)
CK2

>  <Form> (1,846)
free base

>  <CAS> (1,846)
474263-21-3

>  <URL> (1,846)
N/A

$$$$
WAY-301527
csChFnd80/09132309312D

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  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
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M  END
>  <Mol_ID> (1,847)
1848

>  <Formula> (1,847)
C16H15N3O2S

>  <MolWeight> (1,847)
313.3742

>  <Cat> (1,847)
P3747

>  <Name> (1,847)
WAY-301527

>  <Synonyms> (1,847)
N/A

>  <Target> (1,847)
Casein Kinase

>  <Form> (1,847)
free base

>  <CAS> (1,847)
315682-22-5

>  <URL> (1,847)
N/A

$$$$
WAY-388756
csChFnd80/09132309312D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,848)
1849

>  <Formula> (1,848)
C11H7ClN2S2

>  <MolWeight> (1,848)
266.76968

>  <Cat> (1,848)
P3724

>  <Name> (1,848)
WAY-388756

>  <Synonyms> (1,848)
N/A

>  <Target> (1,848)
IKKb

>  <Form> (1,848)
free base

>  <CAS> (1,848)
243669-62-7

>  <URL> (1,848)
N/A

$$$$
WAY-310410
csChFnd80/09132309312D

 17 19  0  0  0  0  0  0  0  0999 V2000
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N/A

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LIMK1

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free base

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332904-10-6

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N/A

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WAY-297152
csChFnd80/09132309312D

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N/A

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MtSk

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free base

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397878-17-0

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N/A

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WAY-297174
csChFnd80/09132309312D

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1852

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free base

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442571-27-9

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N/A

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WAY-297674
csChFnd80/09132309312D

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CK2

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free base

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313985-59-0

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N/A

$$$$
WAY-298630
csChFnd80/09132309312D

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1854

>  <Formula> (1,853)
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free base

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303134-93-2

>  <URL> (1,853)
N/A

$$$$
WAY-299017
csChFnd80/09132309312D

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>  <Formula> (1,854)
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>  <Synonyms> (1,854)
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free base

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300803-79-6

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N/A

$$$$
WAY-299359
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,855)
1856

>  <Formula> (1,855)
C14H18N2O3S

>  <MolWeight> (1,855)
294.36932

>  <Cat> (1,855)
P3729

>  <Name> (1,855)
WAY-299359

>  <Synonyms> (1,855)
N/A

>  <Target> (1,855)
FLT3, Tubulin

>  <Form> (1,855)
free base

>  <CAS> (1,855)
1005057-81-7

>  <URL> (1,855)
N/A

$$$$
WAY-117443
csChFnd80/09132309312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,856)
1857

>  <Formula> (1,856)
C19H18O5

>  <MolWeight> (1,856)
326.34322

>  <Cat> (1,856)
P3752

>  <Name> (1,856)
WAY-117443

>  <Synonyms> (1,856)
N/A

>  <Target> (1,856)
GRK6,DOPA decarboxylase

>  <Form> (1,856)
free base

>  <CAS> (1,856)
1164562-43-9

>  <URL> (1,856)
N/A

$$$$
WAY-304191
csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 15 17  2  0  0  0  0
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 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,857)
1858

>  <Formula> (1,857)
C18H25NO2

>  <MolWeight> (1,857)
287.3966

>  <Cat> (1,857)
P3745

>  <Name> (1,857)
WAY-304191

>  <Synonyms> (1,857)
N/A

>  <Target> (1,857)
FLT3 receptor

>  <Form> (1,857)
free base

>  <CAS> (1,857)
510724-22-8

>  <URL> (1,857)
N/A

$$$$
WAY-226683
csChFnd80/09132309312D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,858)
1859

>  <Formula> (1,858)
C14H14N2O3

>  <MolWeight> (1,858)
258.27256

>  <Cat> (1,858)
P3697

>  <Name> (1,858)
WAY-226683

>  <Synonyms> (1,858)
N/A

>  <Target> (1,858)
Rho

>  <Form> (1,858)
free base

>  <CAS> (1,858)
309736-94-5

>  <URL> (1,858)
N/A

$$$$
WAY-306955
csChFnd80/09132309312D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,859)
1860

>  <Formula> (1,859)
C17H14N4S

>  <MolWeight> (1,859)
306.38486

>  <Cat> (1,859)
P3770

>  <Name> (1,859)
WAY-306955

>  <Synonyms> (1,859)
N/A

>  <Target> (1,859)
p38a MAPK

>  <Form> (1,859)
free base

>  <CAS> (1,859)
315703-48-1

>  <URL> (1,859)
N/A

$$$$
WAY-380153
csChFnd80/09132309312D

 17 18  0  0  0  0  0  0  0  0999 V2000
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WAY-311474
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WAY-312858
csChFnd80/09132309312D

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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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WAY-277364
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WAY-337530
csChFnd80/09132309312D

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N/A

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WAY-337532
csChFnd80/09132309312D

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free base

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WAY-628644
csChFnd80/09132309312D

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WAY-270250
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WAY-270252
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N/A

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free base

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61-38-1

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N/A

$$$$
WAY-271127
csChFnd80/09132309312D

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N/A

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MtSk

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free base

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500149-26-8

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N/A

$$$$
WAY-615145
csChFnd80/09132309312D

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>  <Synonyms> (1,874)
N/A

>  <Target> (1,874)
glucokinase

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free base

>  <CAS> (1,874)
536736-95-5

>  <URL> (1,874)
N/A

$$$$
WAY-613982
csChFnd80/09132309312D

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CK2

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free base

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330449-39-3

>  <URL> (1,875)
N/A

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WAY-650334
csChFnd80/09132309312D

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>  <Mol_ID> (1,876)
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>  <Formula> (1,876)
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>  <MolWeight> (1,876)
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>  <Cat> (1,876)
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>  <Name> (1,876)
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>  <Synonyms> (1,876)
N/A

>  <Target> (1,876)
MAP2K4

>  <Form> (1,876)
free base

>  <CAS> (1,876)
847773-02-8

>  <URL> (1,876)
N/A

$$$$
GI-570482
csChFnd80/09132309312D

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>  <Formula> (1,877)
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GI-570482

>  <Synonyms> (1,877)
N/A

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free base

>  <CAS> (1,877)
109164-47-8

>  <URL> (1,877)
N/A

$$$$
WAY-272160
csChFnd80/09132309312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    7.0125    7.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7875    4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750    8.6750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0125    9.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250   10.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667    8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667    1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8792   10.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792    4.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8792    6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    9.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   13.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   10.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   13.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   11.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   14.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.9792    0.0000 Cl  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  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  2  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19  9  2  0  0  0  0
 20  9  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  2  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
  5  6  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  2  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,878)
1879

>  <Formula> (1,878)
C18H13ClN2O3

>  <MolWeight> (1,878)
340.76042

>  <Cat> (1,878)
P3737

>  <Name> (1,878)
WAY-272160

>  <Synonyms> (1,878)
N/A

>  <Target> (1,878)
 topoisomerase II,HER2

>  <Form> (1,878)
free base

>  <CAS> (1,878)
489413-54-9

>  <URL> (1,878)
N/A

$$$$
WAY-603392
csChFnd80/09132309312D

 17 18  0  0  0  0  0  0  0  0999 V2000
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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  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10 14  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
  4  7  2  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,879)
1880

>  <Formula> (1,879)
C11H16N2O3S

>  <MolWeight> (1,879)
256.32134

>  <Cat> (1,879)
P3685

>  <Name> (1,879)
WAY-603392

>  <Synonyms> (1,879)
N/A

>  <Target> (1,879)
AKT(PKB) phosphorylation,ion channel

>  <Form> (1,879)
free base

>  <CAS> (1,879)
329906-01-6

>  <URL> (1,879)
N/A

$$$$
WAY-321341
csChFnd80/09132309312D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -0.5125    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2125    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.0833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -3.3000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9000   -1.8500    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 13  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 11  1  0  0  0  0
 21 14  2  0  0  0  0
 22 15  2  0  0  0  0
 23 16  1  0  0  0  0
 24 18  2  0  0  0  0
 25 20  2  0  0  0  0
 26 17  2  0  0  0  0
 27 19  2  0  0  0  0
 28 21  1  0  0  0  0
 29 28  2  0  0  0  0
 10  8  2  0  0  0  0
 27 26  1  0  0  0  0
  9 11  2  0  0  0  0
 22 29  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,880)
1881

>  <Formula> (1,880)
C24H22N4O

>  <MolWeight> (1,880)
382.45768

>  <Cat> (1,880)
P3759

>  <Name> (1,880)
WAY-321341

>  <Synonyms> (1,880)
N/A

>  <Target> (1,880)
SYK,Immunology & Inflammation related

>  <Form> (1,880)
free base

>  <CAS> (1,880)
314027-66-2

>  <URL> (1,880)
N/A

$$$$
WAY-322243
csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.4000   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -2.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.4000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -2.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2375   -2.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0292   -1.4542    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  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  2  0  0  0  0
 12  8  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16  9  2  0  0  0  0
 17  2  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  2  0  0  0  0
 20 13  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 13  5  1  0  0  0  0
 12 15  2  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,881)
1882

>  <Formula> (1,881)
C18H18N2O2S

>  <MolWeight> (1,881)
326.41272

>  <Cat> (1,881)
P3736

>  <Name> (1,881)
WAY-322243

>  <Synonyms> (1,881)
N/A

>  <Target> (1,881)
CLK-1

>  <Form> (1,881)
free base

>  <CAS> (1,881)
332939-32-9

>  <URL> (1,881)
N/A

$$$$
WAY-322475
csChFnd80/09132309312D

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.8621    7.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6329    7.9207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1431    8.0711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    6.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1431    6.4228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9063    8.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4324    7.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8898    5.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9313    7.2674    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  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
  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
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  3  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  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
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,882)
1883

>  <Formula> (1,882)
C15H15N5

>  <MolWeight> (1,882)
265.3131

>  <Cat> (1,882)
P3691

>  <Name> (1,882)
WAY-322475

>  <Synonyms> (1,882)
N/A

>  <Target> (1,882)
GRK6,SUMOylation

>  <Form> (1,882)
free base

>  <CAS> (1,882)
300731-73-1

>  <URL> (1,882)
N/A

$$$$
WAY-313218
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.5966    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276   -1.1000    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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M  END
>  <Mol_ID> (1,883)
1884

>  <Formula> (1,883)
C19H20FNO

>  <MolWeight> (1,883)
297.3666032

>  <Cat> (1,883)
P3321

>  <Name> (1,883)
WAY-313218

>  <Synonyms> (1,883)
N/A

>  <Target> (1,883)
11¦Â-HSD1 

>  <Form> (1,883)
free base

>  <CAS> (1,883)
260428-69-1

>  <URL> (1,883)
N/A

$$$$
WAY-313013
csChFnd80/09132309312D

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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,884)
1885

>  <Formula> (1,884)
C12H14BrNO2

>  <MolWeight> (1,884)
284.14906

>  <Cat> (1,884)
P3319

>  <Name> (1,884)
WAY-313013

>  <Synonyms> (1,884)
N/A

>  <Target> (1,884)
p38,histamine-3 (H3) receptor

>  <Form> (1,884)
free base

>  <CAS> (1,884)
326898-76-4

>  <URL> (1,884)
N/A

$$$$
GI-560708
csChFnd80/09132309312D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,885)
1886

>  <Formula> (1,885)
C20H18N4O2

>  <MolWeight> (1,885)
346.38252

>  <Cat> (1,885)
P3258

>  <Name> (1,885)
GI-560708

>  <Synonyms> (1,885)
N/A

>  <Target> (1,885)
BCR-ABL 

>  <Form> (1,885)
free base

>  <CAS> (1,885)
2362-25-6

>  <URL> (1,885)
N/A

$$$$
WAY-345438
csChFnd80/09132309312D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
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 15  7  1  0  0  0  0
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 29 25  2  0  0  0  0
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M  END
>  <Mol_ID> (1,886)
1887

>  <Formula> (1,886)
C24H19N3O2S

>  <MolWeight> (1,886)
413.49156

>  <Cat> (1,886)
P3390

>  <Name> (1,886)
WAY-345438

>  <Synonyms> (1,886)
N/A

>  <Target> (1,886)
Casein kinase 1¦Ä

>  <Form> (1,886)
free base

>  <CAS> (1,886)
571174-12-4

>  <URL> (1,886)
N/A

$$$$
WAY-311066
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,887)
1888

>  <Formula> (1,887)
C21H17N3O3

>  <MolWeight> (1,887)
359.37798

>  <Cat> (1,887)
P3314

>  <Name> (1,887)
WAY-311066

>  <Synonyms> (1,887)
N/A

>  <Target> (1,887)
Casein kinase 1¦Ä

>  <Form> (1,887)
free base

>  <CAS> (1,887)
332074-85-8

>  <URL> (1,887)
N/A

$$$$
WAY-312567
csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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   -2.9101    1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6105   -0.5140    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
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 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
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 10 15  1  0  0  0  0
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 13 17  1  0  0  0  0
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  5  7  1  0  0  0  0
 12 16  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,888)
1889

>  <Formula> (1,888)
C16H20N2O2S

>  <MolWeight> (1,888)
304.4072

>  <Cat> (1,888)
P3317

>  <Name> (1,888)
WAY-312567

>  <Synonyms> (1,888)
N/A

>  <Target> (1,888)
Anti-infection

>  <Form> (1,888)
free base

>  <CAS> (1,888)
330955-59-4

>  <URL> (1,888)
N/A

$$$$
WAY-312157
csChFnd80/09132309312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  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
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 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  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,889)
1890

>  <Formula> (1,889)
C14H18N2O2S

>  <MolWeight> (1,889)
278.36992

>  <Cat> (1,889)
P3316

>  <Name> (1,889)
WAY-312157

>  <Synonyms> (1,889)
N/A

>  <Target> (1,889)
ATP-utilizing enzyme

>  <Form> (1,889)
free base

>  <CAS> (1,889)
354544-70-0

>  <URL> (1,889)
N/A

$$$$
WAY-114228
csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2833    4.2115    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  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  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  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,890)
1891

>  <Formula> (1,890)
C21H23NO

>  <MolWeight> (1,890)
305.41342

>  <Cat> (1,890)
P3264

>  <Name> (1,890)
WAY-114228

>  <Synonyms> (1,890)
N/A

>  <Target> (1,890)
MEK1

>  <Form> (1,890)
free base

>  <CAS> (1,890)
333325-96-5

>  <URL> (1,890)
N/A

$$$$
WAY-239320
csChFnd80/09132309312D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.0556    2.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0556    4.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0803    6.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1143    9.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6841    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  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16  6  1  0  0  0  0
 17 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 15  2  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 13  2  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 27  1  0  0  0  0
 26 16  1  0  0  0  0
 27 26  1  0  0  0  0
 28 24  1  0  0  0  0
 29 23  1  0  0  0  0
  4  3  2  0  0  0  0
 18 20  2  0  0  0  0
  8 11  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,891)
1892

>  <Formula> (1,891)
C22H21N3O4

>  <MolWeight> (1,891)
391.41984

>  <Cat> (1,891)
P3268

>  <Name> (1,891)
WAY-239320

>  <Synonyms> (1,891)
N/A

>  <Target> (1,891)
Chk1,Aurora kinase,Adenosine Kinase

>  <Form> (1,891)
free base

>  <CAS> (1,891)
378775-98-5

>  <URL> (1,891)
N/A

$$$$
WAY-248134
csChFnd80/09132309312D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,892)
1893

>  <Formula> (1,892)
C10H11N3OS

>  <MolWeight> (1,892)
221.27884

>  <Cat> (1,892)
P3270

>  <Name> (1,892)
WAY-248134

>  <Synonyms> (1,892)
N/A

>  <Target> (1,892)
LIMK1£¬IKK¦Â

>  <Form> (1,892)
free base

>  <CAS> (1,892)
67795-42-0

>  <URL> (1,892)
N/A

$$$$
WAY-296818
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.2207    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6000   -0.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,893)
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WAY-296818

>  <Synonyms> (1,893)
N/A

>  <Target> (1,893)
casein kinase 1

>  <Form> (1,893)
free base

>  <CAS> (1,893)
349438-77-3

>  <URL> (1,893)
N/A

$$$$
WAY-635764
csChFnd80/09132309312D

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>  <Mol_ID> (1,894)
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>  <Name> (1,894)
WAY-635764

>  <Synonyms> (1,894)
N/A

>  <Target> (1,894)
Aurora kinase A

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free base

>  <CAS> (1,894)
790267-88-8

>  <URL> (1,894)
N/A

$$$$
WAY-271146
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,895)
1896

>  <Formula> (1,895)
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>  <MolWeight> (1,895)
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>  <Name> (1,895)
WAY-271146

>  <Synonyms> (1,895)
N/A

>  <Target> (1,895)
VEGFR

>  <Form> (1,895)
free base

>  <CAS> (1,895)
683235-33-8

>  <URL> (1,895)
N/A

$$$$
WAY-271147
csChFnd80/09132309312D

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>  <Mol_ID> (1,896)
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>  <Formula> (1,896)
C17H12N2O4

>  <MolWeight> (1,896)
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>  <Cat> (1,896)
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WAY-271147

>  <Synonyms> (1,896)
N/A

>  <Target> (1,896)
VEGFR

>  <Form> (1,896)
free base

>  <CAS> (1,896)
683235-34-9

>  <URL> (1,896)
N/A

$$$$
WAY-600632
csChFnd80/09132309312D

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>  <Mol_ID> (1,897)
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>  <Formula> (1,897)
C14H9N3O2S2

>  <MolWeight> (1,897)
315.37016

>  <Cat> (1,897)
P3423

>  <Name> (1,897)
WAY-600632

>  <Synonyms> (1,897)
N/A

>  <Target> (1,897)
Casein kinase 1¦Ä

>  <Form> (1,897)
free base

>  <CAS> (1,897)
438018-70-3

>  <URL> (1,897)
N/A

$$$$
WAY-601258
csChFnd80/09132309312D

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 10  4  1  0  0  0  0
 11 13  1  0  0  0  0
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 13  9  1  0  0  0  0
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,898)
1899

>  <Formula> (1,898)
C13H12N4OS2

>  <MolWeight> (1,898)
304.39058

>  <Cat> (1,898)
P3428

>  <Name> (1,898)
WAY-601258

>  <Synonyms> (1,898)
N/A

>  <Target> (1,898)
Anti-infection

>  <Form> (1,898)
free base

>  <CAS> (1,898)
496023-52-0

>  <URL> (1,898)
N/A

$$$$
WAY-601323
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  2  0  0  0  0
 13  7  1  0  0  0  0
 14  3  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 21  1  0  0  0  0
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 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
  9 12  1  0  0  0  0
 22 20  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,899)
1900

>  <Formula> (1,899)
C16H18N4O2

>  <MolWeight> (1,899)
298.33972

>  <Cat> (1,899)
P3429

>  <Name> (1,899)
WAY-601323

>  <Synonyms> (1,899)
N/A

>  <Target> (1,899)
CDK9 

>  <Form> (1,899)
free base

>  <CAS> (1,899)
324778-48-5

>  <URL> (1,899)
N/A

$$$$
WAY-600704-A
csChFnd80/09132309312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
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 12  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
  6  5  2  0  0  0  0
 20 19  1  0  0  0  0
 11 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
M  END
>  <Mol_ID> (1,900)
1901

>  <Formula> (1,900)
C17H22N2O

>  <MolWeight> (1,900)
270.36938

>  <Cat> (1,900)
P3424

>  <Name> (1,900)
WAY-600704

>  <Synonyms> (1,900)
N/A

>  <Target> (1,900)
ethanolamine kinase

>  <Form> (1,900)
free base

>  <CAS> (1,900)
301330-94-9

>  <URL> (1,900)
N/A

$$$$
WAY-600868
csChFnd80/09132309312D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.3582   -0.4718    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
  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
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
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  8  9  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,901)
1902

>  <Formula> (1,901)
C13H9FN2S

>  <MolWeight> (1,901)
244.2873632

>  <Cat> (1,901)
P3425

>  <Name> (1,901)
WAY-600868

>  <Synonyms> (1,901)
N/A

>  <Target> (1,901)
FGFR3

>  <Form> (1,901)
free base

>  <CAS> (1,901)
348-45-8

>  <URL> (1,901)
N/A

$$$$
CL-104773
csChFnd80/09132309312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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 18 20  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,902)
1903

>  <Formula> (1,902)
C17H14N2O

>  <MolWeight> (1,902)
262.30586

>  <Cat> (1,902)
P3253

>  <Name> (1,902)
CL-104773

>  <Synonyms> (1,902)
N/A

>  <Target> (1,902)
TLR, JAK2, fatty acid amide hydrolase

>  <Form> (1,902)
free base

>  <CAS> (1,902)
802980-92-3

>  <URL> (1,902)
N/A

$$$$
WAY-269040
csChFnd80/09132309312D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  2  0  0  0  0
 23 17  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
  2  3  1  0  0  0  0
  9  7  1  0  0  0  0
 24 19  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,903)
1904

>  <Formula> (1,903)
C20H23N3OS

>  <MolWeight> (1,903)
353.48112

>  <Cat> (1,903)
P3271

>  <Name> (1,903)
WAY-269040

>  <Synonyms> (1,903)
N/A

>  <Target> (1,903)
Anti-infection

>  <Form> (1,903)
free base

>  <CAS> (1,903)
846065-09-6

>  <URL> (1,903)
N/A

$$$$
WAY-339696
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8875   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1905

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C16H11BrN2O3

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359.17414

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P3388

>  <Name> (1,904)
WAY-339696

>  <Synonyms> (1,904)
N/A

>  <Target> (1,904)
 EGFR-T790M/L858R

>  <Form> (1,904)
free base

>  <CAS> (1,904)
333419-97-9

>  <URL> (1,904)
N/A

$$$$
WAY-349290
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,905)
1906

>  <Formula> (1,905)
C12H7ClN2OS

>  <MolWeight> (1,905)
262.71478

>  <Cat> (1,905)
P3396

>  <Name> (1,905)
WAY-349290

>  <Synonyms> (1,905)
N/A

>  <Target> (1,905)
Pim,MCH receptor

>  <Form> (1,905)
free base

>  <CAS> (1,905)
215928-66-8

>  <URL> (1,905)
N/A

$$$$
WAY-613473
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,906)
1907

>  <Formula> (1,906)
C20H16N4O3S

>  <MolWeight> (1,906)
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>  <Cat> (1,906)
P3450

>  <Name> (1,906)
WAY-613473

>  <Synonyms> (1,906)
N/A

>  <Target> (1,906)
HIV,JAK-2,PI3K

>  <Form> (1,906)
free base

>  <CAS> (1,906)
301357-74-4

>  <URL> (1,906)
N/A

$$$$
WAY-613991
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,907)
1908

>  <Formula> (1,907)
C23H17N3O4

>  <MolWeight> (1,907)
399.39878

>  <Cat> (1,907)
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>  <Name> (1,907)
WAY-613991

>  <Synonyms> (1,907)
N/A

>  <Target> (1,907)
Casein kinase 1d

>  <Form> (1,907)
free base

>  <CAS> (1,907)
565167-37-5

>  <URL> (1,907)
N/A

$$$$
WAY-630998
csChFnd80/09132309312D

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1909

>  <Formula> (1,908)
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>  <MolWeight> (1,908)
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P3471

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WAY-630998

>  <Synonyms> (1,908)
N/A

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p38a

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free base

>  <CAS> (1,908)
251106-30-6

>  <URL> (1,908)
N/A

$$$$
WAY-631127
csChFnd80/09132309312D

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1910

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C24H18ClN3O3

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431.87102

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P3472

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WAY-631127

>  <Synonyms> (1,909)
N/A

>  <Target> (1,909)
Casein kinase 1¦Ä

>  <Form> (1,909)
free base

>  <CAS> (1,909)
756849-12-4

>  <URL> (1,909)
N/A

$$$$
WAY-631545
csChFnd80/09132309312D

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>  <Mol_ID> (1,910)
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>  <Formula> (1,910)
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>  <MolWeight> (1,910)
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>  <Cat> (1,910)
P3473

>  <Name> (1,910)
WAY-631545

>  <Synonyms> (1,910)
N/A

>  <Target> (1,910)
others

>  <Form> (1,910)
free base

>  <CAS> (1,910)
681260-56-0

>  <URL> (1,910)
N/A

$$$$
WAY-632021
csChFnd80/09132309312D

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>  <Mol_ID> (1,911)
1912

>  <Formula> (1,911)
C13H10ClN3S

>  <MolWeight> (1,911)
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>  <Cat> (1,911)
P3474

>  <Name> (1,911)
WAY-632021

>  <Synonyms> (1,911)
N/A

>  <Target> (1,911)
TIE-2,Raf,phosphodiesterase V

>  <Form> (1,911)
free base

>  <CAS> (1,911)
742094-64-0

>  <URL> (1,911)
N/A

$$$$
WAY-632323
csChFnd80/09132309312D

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1913

>  <Formula> (1,912)
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>  <MolWeight> (1,912)
365.4752

>  <Cat> (1,912)
P3475

>  <Name> (1,912)
WAY-632323

>  <Synonyms> (1,912)
N/A

>  <Target> (1,912)
Casein kinase 1¦Ä

>  <Form> (1,912)
free base

>  <CAS> (1,912)
782457-22-1

>  <URL> (1,912)
N/A

$$$$
WAY-650313
csChFnd80/09132309312D

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>  <Name> (1,913)
WAY-650313

>  <Synonyms> (1,913)
N/A

>  <Target> (1,913)
Casein kinase 1¦Ä

>  <Form> (1,913)
free base

>  <CAS> (1,913)
847772-08-1

>  <URL> (1,913)
N/A

$$$$
WAY-650886
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (1,914)
1915

>  <Formula> (1,914)
C19H16N4O2

>  <MolWeight> (1,914)
332.35594

>  <Cat> (1,914)
P3512

>  <Name> (1,914)
WAY-650886

>  <Synonyms> (1,914)
N/A

>  <Target> (1,914)
Casein kinase 1¦Ä

>  <Form> (1,914)
free base

>  <CAS> (1,914)
848066-61-5

>  <URL> (1,914)
N/A

$$$$
WAY-651445
csChFnd80/09132309312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,915)
1916

>  <Formula> (1,915)
C18H13N3O2S

>  <MolWeight> (1,915)
335.37972

>  <Cat> (1,915)
P3513

>  <Name> (1,915)
WAY-651445

>  <Synonyms> (1,915)
N/A

>  <Target> (1,915)
LIMK1£¬IkB

>  <Form> (1,915)
free base

>  <CAS> (1,915)
848289-47-4

>  <URL> (1,915)
N/A

$$$$
GI-555736
csChFnd80/09132309312D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,916)
1917

>  <Formula> (1,916)
C14H12N2

>  <MolWeight> (1,916)
208.25848

>  <Cat> (1,916)
P3257

>  <Name> (1,916)
GI-555736

>  <Synonyms> (1,916)
N/A

>  <Target> (1,916)
PDGFR

>  <Form> (1,916)
free base

>  <CAS> (1,916)
848342-16-5

>  <URL> (1,916)
N/A

$$$$
WAY-270318
csChFnd80/09132309312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,917)
1918

>  <Formula> (1,917)
C14H14N4OS

>  <MolWeight> (1,917)
286.35216

>  <Cat> (1,917)
P3272

>  <Name> (1,917)
WAY-270318

>  <Synonyms> (1,917)
N/A

>  <Target> (1,917)
protein kinase

>  <Form> (1,917)
free base

>  <CAS> (1,917)
721964-48-3

>  <URL> (1,917)
N/A

$$$$
WAY-270329
csChFnd80/09132309312D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,918)
1919

>  <Formula> (1,918)
C21H18FN5O2S

>  <MolWeight> (1,918)
423.4633232

>  <Cat> (1,918)
P3273

>  <Name> (1,918)
WAY-270329

>  <Synonyms> (1,918)
N/A

>  <Target> (1,918)
protein kinase

>  <Form> (1,918)
free base

>  <CAS> (1,918)
721964-51-8

>  <URL> (1,918)
N/A

$$$$
WAY-270444
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,919)
1920

>  <Formula> (1,919)
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296.32054

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>  <Name> (1,919)
WAY-270444

>  <Synonyms> (1,919)
N/A

>  <Target> (1,919)
Hsp90,PDK4,PPAR

>  <Form> (1,919)
free base

>  <CAS> (1,919)
394237-61-7

>  <URL> (1,919)
N/A

$$$$
WAY-270599
csChFnd80/09132309312D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,920)
1921

>  <Formula> (1,920)
C17H11ClN2O4S

>  <MolWeight> (1,920)
374.79824

>  <Cat> (1,920)
P3276

>  <Name> (1,920)
WAY-270599

>  <Synonyms> (1,920)
N/A

>  <Target> (1,920)
FGFR1,TNFa

>  <Form> (1,920)
free base

>  <CAS> (1,920)
397281-20-8

>  <URL> (1,920)
N/A

$$$$
WAY-270947
csChFnd80/09132309312D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
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 19  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,921)
1922

>  <Formula> (1,921)
C17H14BrN7O

>  <MolWeight> (1,921)
412.24336

>  <Cat> (1,921)
P3277

>  <Name> (1,921)
WAY-270947

>  <Synonyms> (1,921)
N/A

>  <Target> (1,921)
ALK5

>  <Form> (1,921)
free base

>  <CAS> (1,921)
1198579-20-2

>  <URL> (1,921)
N/A

$$$$
WAY-270966
csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  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> (1,922)
1923

>  <Formula> (1,922)
C16H14BrN3OS2

>  <MolWeight> (1,922)
408.33586

>  <Cat> (1,922)
P3278

>  <Name> (1,922)
WAY-270966

>  <Synonyms> (1,922)
N/A

>  <Target> (1,922)
p38

>  <Form> (1,922)
free base

>  <CAS> (1,922)
421578-44-1

>  <URL> (1,922)
N/A

$$$$
WAY-270968
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,923)
1924

>  <Formula> (1,923)
C16H13FN2OS2

>  <MolWeight> (1,923)
332.4156232

>  <Cat> (1,923)
P3279

>  <Name> (1,923)
WAY-270968

>  <Synonyms> (1,923)
N/A

>  <Target> (1,923)
p38

>  <Form> (1,923)
free base

>  <CAS> (1,923)
421578-46-3

>  <URL> (1,923)
N/A

$$$$
WAY-320509
csChFnd80/09132309312D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.2928   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
   -1.3831    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -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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   -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
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 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> (1,924)
1925

>  <Formula> (1,924)
C18H17N3O2S

>  <MolWeight> (1,924)
339.41148

>  <Cat> (1,924)
P3327

>  <Name> (1,924)
WAY-320509

>  <Synonyms> (1,924)
N/A

>  <Target> (1,924)
Anti-infection,CDK8

>  <Form> (1,924)
free base

>  <CAS> (1,924)
314035-54-6

>  <URL> (1,924)
N/A

$$$$
WAY-320049
csChFnd80/09132309312D

 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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    3.9854    0.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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> (1,925)
1926

>  <Formula> (1,925)
C13H17NO3S

>  <MolWeight> (1,925)
267.34398

>  <Cat> (1,925)
P3323

>  <Name> (1,925)
WAY-320049

>  <Synonyms> (1,925)
N/A

>  <Target> (1,925)
others

>  <Form> (1,925)
free base

>  <CAS> (1,925)
298193-11-0

>  <URL> (1,925)
N/A

$$$$
WAY-320080
csChFnd80/09132309312D

 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
    0.1518   -2.0074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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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   -2.5689    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5862    1.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6758   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  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> (1,926)
1927

>  <Formula> (1,926)
C14H13N3O2S

>  <MolWeight> (1,926)
287.33692

>  <Cat> (1,926)
P3324

>  <Name> (1,926)
WAY-320080

>  <Synonyms> (1,926)
N/A

>  <Target> (1,926)
glucokinase,heat shock protein 90

>  <Form> (1,926)
free base

>  <CAS> (1,926)
349549-38-8

>  <URL> (1,926)
N/A

$$$$
WAY-320081
csChFnd80/09132309312D

 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
    0.5505   -2.2962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5471   -0.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -2.4701   -0.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092   -2.9272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -2.5943    1.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3505    1.3279    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333    1.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4805    1.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3529   -0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0919    1.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4495    1.5555    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  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> (1,927)
1928

>  <Formula> (1,927)
C14H13N3O2S

>  <MolWeight> (1,927)
287.33692

>  <Cat> (1,927)
P3325

>  <Name> (1,927)
WAY-320081

>  <Synonyms> (1,927)
N/A

>  <Target> (1,927)
glucokinase,heat shock protein 90

>  <Form> (1,927)
free base

>  <CAS> (1,927)
66780-67-4

>  <URL> (1,927)
N/A

$$$$
WAY-602219
csChFnd80/09132309312D

 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
   -1.4000    0.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    1.8500   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6042   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6875    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0250   -0.4417    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> (1,928)
1929

>  <Formula> (1,928)
C14H12N2O3S2

>  <MolWeight> (1,928)
320.38668

>  <Cat> (1,928)
P3430

>  <Name> (1,928)
WAY-602219

>  <Synonyms> (1,928)
N/A

>  <Target> (1,928)
Trypanosoma brucei hexokinase 

>  <Form> (1,928)
free base

>  <CAS> (1,928)
378197-09-2

>  <URL> (1,928)
N/A

$$$$
WAY-602746
csChFnd80/09132309312D

 25 28  0  0  0  0  0  0  0  0999 V2000
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   -0.9583    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7875   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1583    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8250    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  2  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8 11  2  0  0  0  0
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 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
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 10  8  1  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,929)
1930

>  <Formula> (1,929)
C20H16N4O

>  <MolWeight> (1,929)
328.36724

>  <Cat> (1,929)
P3431

>  <Name> (1,929)
WAY-602746

>  <Synonyms> (1,929)
N/A

>  <Target> (1,929)
ROS 

>  <Form> (1,929)
free base

>  <CAS> (1,929)
370096-57-4

>  <URL> (1,929)
N/A

$$$$
WAY-603264
csChFnd80/09132309312D

 12 13  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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  7 12  1  0  0  0  0
  8  4  1  0  0  0  0
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 12  9  1  0  0  0  0
  5  6  2  0  0  0  0
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M  END
>  <Mol_ID> (1,930)
1931

>  <Formula> (1,930)
C8H12N2OS

>  <MolWeight> (1,930)
184.25868

>  <Cat> (1,930)
P3432

>  <Name> (1,930)
WAY-603264

>  <Synonyms> (1,930)
N/A

>  <Target> (1,930)
adenosine kinase

>  <Form> (1,930)
free base

>  <CAS> (1,930)
58350-40-6

>  <URL> (1,930)
N/A

$$$$
WAY-603359
csChFnd80/09132309312D

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  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
  7  8  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,931)
1932

>  <Formula> (1,931)
C10H12ClN3O2

>  <MolWeight> (1,931)
241.67418

>  <Cat> (1,931)
P3433

>  <Name> (1,931)
WAY-603359

>  <Synonyms> (1,931)
N/A

>  <Target> (1,931)
p38

>  <Form> (1,931)
free base

>  <CAS> (1,931)
329268-90-8

>  <URL> (1,931)
N/A

$$$$
WAY-634931
csChFnd80/09132309312D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.2653   -1.0456    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  6  1  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,932)
1933

>  <Formula> (1,932)
C10H14O2

>  <MolWeight> (1,932)
166.21696

>  <Cat> (1,932)
P3482

>  <Name> (1,932)
WAY-634931

>  <Synonyms> (1,932)
N/A

>  <Target> (1,932)
GSK3,ROR gamma,CETP,metabotropic glutamate r

>  <Form> (1,932)
free base

>  <CAS> (1,932)
82683-51-0

>  <URL> (1,932)
N/A

$$$$
WAY-634964
csChFnd80/09132309312D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.6458   -1.9750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  2  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  2  0  0  0  0
  4  5  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,933)
1934

>  <Formula> (1,933)
C9H7N3O2

>  <MolWeight> (1,933)
189.17078

>  <Cat> (1,933)
P3483

>  <Name> (1,933)
WAY-634964

>  <Synonyms> (1,933)
N/A

>  <Target> (1,933)
tyrosine kinase

>  <Form> (1,933)
free base

>  <CAS> (1,933)
157842-34-7

>  <URL> (1,933)
N/A

$$$$
WAY-634704
csChFnd80/09132309312D

 22 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  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9 16  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16 18  1  0  0  0  0
 17  9  2  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20  8  1  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
  4  5  1  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,934)
1935

>  <Formula> (1,934)
C13H13ClN2O5S

>  <MolWeight> (1,934)
344.77072

>  <Cat> (1,934)
P3481

>  <Name> (1,934)
WAY-634704

>  <Synonyms> (1,934)
N/A

>  <Target> (1,934)
Aurora kinase A

>  <Form> (1,934)
free base

>  <CAS> (1,934)
781619-26-9

>  <URL> (1,934)
N/A

$$$$
WAY-635109
csChFnd80/09132309312D

 19 22  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
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  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9 15  2  0  0  0  0
 10  4  2  0  0  0  0
 11 12  2  0  0  0  0
 12  2  1  0  0  0  0
 13 18  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
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 19 15  1  0  0  0  0
  5  3  2  0  0  0  0
 11  8  1  0  0  0  0
 13  7  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,935)
1936

>  <Formula> (1,935)
C13H9N3O2S

>  <MolWeight> (1,935)
271.29446

>  <Cat> (1,935)
P3484

>  <Name> (1,935)
WAY-635109

>  <Synonyms> (1,935)
N/A

>  <Target> (1,935)
B-Raf

>  <Form> (1,935)
free base

>  <CAS> (1,935)
781622-25-1

>  <URL> (1,935)
N/A

$$$$
WAY-635114
csChFnd80/09132309312D

 18 20  0  0  0  0  0  0  0  0999 V2000
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free base

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781622-52-4

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N/A

$$$$
WAY-635319
csChFnd80/09132309312D

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WAY-635319

>  <Synonyms> (1,937)
N/A

>  <Target> (1,937)
CDK

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free base

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763098-07-3

>  <URL> (1,937)
N/A

$$$$
WAY-311677
csChFnd80/09132309312D

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>  <Formula> (1,938)
C16H13N3OS

>  <MolWeight> (1,938)
295.35892

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>  <Name> (1,938)
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>  <Synonyms> (1,938)
N/A

>  <Target> (1,938)
FAK

>  <Form> (1,938)
free base

>  <CAS> (1,938)
19948-85-7

>  <URL> (1,938)
N/A

$$$$
CL-243214
csChFnd80/09132309312D

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>  <Formula> (1,939)
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>  <MolWeight> (1,939)
258.2957

>  <Cat> (1,939)
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>  <Name> (1,939)
CL-243214

>  <Synonyms> (1,939)
N/A

>  <Target> (1,939)
others

>  <Form> (1,939)
free base

>  <CAS> (1,939)
333785-55-0

>  <URL> (1,939)
N/A

$$$$
WAY-312187
csChFnd80/09132309312D

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>  <Formula> (1,940)
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>  <MolWeight> (1,940)
283.27872

>  <Cat> (1,940)
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>  <Name> (1,940)
WAY-312187

>  <Synonyms> (1,940)
N/A

>  <Target> (1,940)
Pim-1

>  <Form> (1,940)
free base

>  <CAS> (1,940)
1609385-99-0

>  <URL> (1,940)
N/A

$$$$
WAY-230563
csChFnd80/09132309312D

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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,941)
1942

>  <Formula> (1,941)
C17H12N2O2S

>  <MolWeight> (1,941)
308.35438

>  <Cat> (1,941)
P3758

>  <Name> (1,941)
WAY-230563

>  <Synonyms> (1,941)
N/A

>  <Target> (1,941)
serine/threonine kinase

>  <Form> (1,941)
free base

>  <CAS> (1,941)
93326-70-6

>  <URL> (1,941)
N/A

$$$$
WAY-235142
csChFnd80/09132309312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,942)
1943

>  <Formula> (1,942)
C17H18N2O

>  <MolWeight> (1,942)
266.33762

>  <Cat> (1,942)
P3701

>  <Name> (1,942)
WAY-235142

>  <Synonyms> (1,942)
N/A

>  <Target> (1,942)
MtSk

>  <Form> (1,942)
free base

>  <CAS> (1,942)
380550-28-7

>  <URL> (1,942)
N/A

$$$$
WAY-311747
csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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 11 15  1  0  0  0  0
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  5  7  2  0  0  0  0
  9 12  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,943)
1944

>  <Formula> (1,943)
C16H21N3O2

>  <MolWeight> (1,943)
287.35684

>  <Cat> (1,943)
P3732

>  <Name> (1,943)
WAY-311747

>  <Synonyms> (1,943)
N/A

>  <Target> (1,943)
MtSk

>  <Form> (1,943)
free base

>  <CAS> (1,943)
381671-40-5

>  <URL> (1,943)
N/A

$$$$
WAY-312484
csChFnd80/09132309312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,944)
1945

>  <Formula> (1,944)
C13H13N5O

>  <MolWeight> (1,944)
255.27522

>  <Cat> (1,944)
P3700

>  <Name> (1,944)
WAY-312484

>  <Synonyms> (1,944)
N/A

>  <Target> (1,944)
EGFR

>  <Form> (1,944)
free base

>  <CAS> (1,944)
91769-08-3

>  <URL> (1,944)
N/A

$$$$
WAY-311753-A
csChFnd80/09132309312D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  4 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
 14 16  2  0  0  0  0
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 20 21  1  0  0  0  0
  5  7  1  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,945)
1946

>  <Formula> (1,945)
C16H15N3OS

>  <MolWeight> (1,945)
297.3748

>  <Cat> (1,945)
P3757

>  <Name> (1,945)
WAY-311753-A

>  <Synonyms> (1,945)
N/A

>  <Target> (1,945)
tyrosine kinase

>  <Form> (1,945)
free base

>  <CAS> (1,945)
345615-74-9

>  <URL> (1,945)
N/A

$$$$
WAY-310586-A
csChFnd80/09132309312D

 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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 13 15  1  0  0  0  0
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 22 23  1  0  0  0  0
  7  8  1  0  0  0  0
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 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,946)
1947

>  <Formula> (1,946)
C16H16N4OS2

>  <MolWeight> (1,946)
344.45444

>  <Cat> (1,946)
P3777

>  <Name> (1,946)
WAY-310586-A

>  <Synonyms> (1,946)
N/A

>  <Target> (1,946)
TAOK2

>  <Form> (1,946)
free base

>  <CAS> (1,946)
315705-95-4

>  <URL> (1,946)
N/A

$$$$
GI-568769
csChFnd80/09132309312D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    2.3341    1.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6099   -0.5371    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  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
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
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 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,947)
1948

>  <Formula> (1,947)
C13H11ClN4

>  <MolWeight> (1,947)
258.70624

>  <Cat> (1,947)
P3689

>  <Name> (1,947)
GI-568769

>  <Synonyms> (1,947)
N/A

>  <Target> (1,947)
p90 Ribosomal S6 Protein Kinase 2

>  <Form> (1,947)
free base

>  <CAS> (1,947)
62001-32-5

>  <URL> (1,947)
N/A

$$$$
WAY-298129
csChFnd80/09132309312D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.9125   -3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -3.8542    0.0000 N   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  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
  5  6  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,948)
1949

>  <Formula> (1,948)
C13H15NO2S

>  <MolWeight> (1,948)
249.3287

>  <Cat> (1,948)
P3688

>  <Name> (1,948)
WAY-298129

>  <Synonyms> (1,948)
N/A

>  <Target> (1,948)
CLK1,DYRK,CLK,CK1,RB,kinase,ENT1,CK1,DYRK1A,

>  <Form> (1,948)
free base

>  <CAS> (1,948)
719277-26-6

>  <URL> (1,948)
N/A

$$$$
WAY-299338
csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4625    2.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8833    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7167    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11 14  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14 16  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 12  2  0  0  0  0
 20 13  2  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
  5  4  2  0  0  0  0
 20 19  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,949)
1950

>  <Formula> (1,949)
C17H16N2O3S

>  <MolWeight> (1,949)
328.38554

>  <Cat> (1,949)
P3775

>  <Name> (1,949)
WAY-299338

>  <Synonyms> (1,949)
N/A

>  <Target> (1,949)
PDK1

>  <Form> (1,949)
free base

>  <CAS> (1,949)
1005044-23-4

>  <URL> (1,949)
N/A

$$$$
WAY-322454
csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.5167   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -3.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5292   -1.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -2.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3667   -3.2292    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  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  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  2  0  0  0  0
 16  9  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
 23 15  1  0  0  0  0
  3  5  1  0  0  0  0
  9 10  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,950)
1951

>  <Formula> (1,950)
C17H20N4O2

>  <MolWeight> (1,950)
312.3663

>  <Cat> (1,950)
P3753

>  <Name> (1,950)
WAY-322454

>  <Synonyms> (1,950)
N/A

>  <Target> (1,950)
GRK6

>  <Form> (1,950)
free base

>  <CAS> (1,950)
1008244-02-7

>  <URL> (1,950)
N/A

$$$$
WAY-215718
csChFnd80/09132309312D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.7757   -0.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757   -0.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7757   -1.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8653   -0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1826    0.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1657   -1.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757   -2.3032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8653   -2.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9550   -0.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9550   -1.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6588    2.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1140    0.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5002    1.7105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7347    1.9726    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
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,951)
1952

>  <Formula> (1,951)
C14H19N3

>  <MolWeight> (1,951)
229.32076

>  <Cat> (1,951)
P3684

>  <Name> (1,951)
WAY-215718

>  <Synonyms> (1,951)
N/A

>  <Target> (1,951)
5-HT Receptor,pp6othersc-Src tyrosine kinase

>  <Form> (1,951)
free base

>  <CAS> (1,951)
128175-06-4

>  <URL> (1,951)
N/A

$$$$
WAY-300046
csChFnd80/09132309312D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.3345   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3552    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1586    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7172   -0.9310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5310   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310    0.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172    1.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414   -0.9103    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
  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
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 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
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
  7  8  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,952)
1953

>  <Formula> (1,952)
C12H13N3O2

>  <MolWeight> (1,952)
231.25052

>  <Cat> (1,952)
P3682

>  <Name> (1,952)
WAY-300046

>  <Synonyms> (1,952)
N/A

>  <Target> (1,952)
LtaS,herpes simplex viruses thymidine kinase

>  <Form> (1,952)
free base

>  <CAS> (1,952)
41648-10-6

>  <URL> (1,952)
N/A

$$$$
WAY-300063
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9828    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1793    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9276   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    1.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4172   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690    2.0483    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1586   -2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4069   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    3.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6138    2.0517    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5379    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034   -1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7759   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5483    1.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5483   -2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7862   -1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552   -3.6690    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  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
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
  7  8  2  0  0  0  0
 11 13  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,953)
1954

>  <Formula> (1,953)
C16H13N3O3

>  <MolWeight> (1,953)
295.29272

>  <Cat> (1,953)
P3727

>  <Name> (1,953)
WAY-300063

>  <Synonyms> (1,953)
N/A

>  <Target> (1,953)
Tropomyosin-Related Kinase A,ATP-binding cas

>  <Form> (1,953)
free base

>  <CAS> (1,953)
296888-45-4

>  <URL> (1,953)
N/A

$$$$
WAY-299819
csChFnd80/09132309312D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0349   -1.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962   -2.7757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7245   -2.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3962   -1.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7245    1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3867   -1.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3962    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0858   -2.7343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3867    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962    1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1143    1.1933    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1659    0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962    3.1036    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2659    2.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1659    3.6933    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
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  7 10  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,954)
1955

>  <Formula> (1,954)
C12H10ClNOS

>  <MolWeight> (1,954)
251.7319

>  <Cat> (1,954)
P3687

>  <Name> (1,954)
WAY-299819

>  <Synonyms> (1,954)
N/A

>  <Target> (1,954)
p38 MAPK,c-Jun-N-Terminal Kinase

>  <Form> (1,954)
free base

>  <CAS> (1,954)
346663-56-7

>  <URL> (1,954)
N/A

$$$$
WAY-300700
csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.8279    1.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8279    2.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1451    1.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5072    1.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1451    2.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5072    2.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5342    1.7238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831    1.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5342    2.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831    2.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2549    1.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2411    0.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5204    0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5342   -0.7555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796    0.4928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5342   -1.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658   -1.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2031   -1.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796   -2.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2204   -2.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5204   -3.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4825   -4.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2721   -4.5555    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
  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
 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  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,955)
1956

>  <Formula> (1,955)
C19H22N2O2

>  <MolWeight> (1,955)
310.39018

>  <Cat> (1,955)
P3751

>  <Name> (1,955)
WAY-300700

>  <Synonyms> (1,955)
N/A

>  <Target> (1,955)
HIV-1

>  <Form> (1,955)
free base

>  <CAS> (1,955)
428853-17-2

>  <URL> (1,955)
N/A

$$$$
WAY-300744
csChFnd80/09132309312D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2241   -0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517   -0.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345   -0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483    0.7598    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207   -1.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069    0.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    0.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5897   -1.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759   -2.8195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4724    0.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8586    0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207   -0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4724   -0.9609    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310    0.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6931    0.8977    0.0000 Cl  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  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5  8  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,956)
1957

>  <Formula> (1,956)
C14H12Cl2N2O2S

>  <MolWeight> (1,956)
343.22828

>  <Cat> (1,956)
P3773

>  <Name> (1,956)
WAY-300744

>  <Synonyms> (1,956)
N/A

>  <Target> (1,956)
kinase

>  <Form> (1,956)
free base

>  <CAS> (1,956)
314284-06-5

>  <URL> (1,956)
N/A

$$$$
WAY-301205
csChFnd80/09132309312D

 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
   -0.2586   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103   -2.0448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103   -2.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -0.4172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    1.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8897    0.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1690    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414    2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517   -2.2759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0517   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793    2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (1,957)
1958

>  <Formula> (1,957)
C16H20N2O2S2

>  <MolWeight> (1,957)
336.4722

>  <Cat> (1,957)
P3772

>  <Name> (1,957)
WAY-301205

>  <Synonyms> (1,957)
N/A

>  <Target> (1,957)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,957)
free base

>  <CAS> (1,957)
330181-93-6

>  <URL> (1,957)
N/A

$$$$
WAY-301300
csChFnd80/09132309312D

 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
   -0.3828    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
   -0.9379   -0.3759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5379    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -1.6586   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655    0.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586    1.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -1.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690   -0.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828   -2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966   -2.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  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> (1,958)
1959

>  <Formula> (1,958)
C16H17NO4

>  <MolWeight> (1,958)
287.31048

>  <Cat> (1,958)
P3726

>  <Name> (1,958)
WAY-301300

>  <Synonyms> (1,958)
N/A

>  <Target> (1,958)
Rho kinase,bacterial DNA adenine methyltrans

>  <Form> (1,958)
free base

>  <CAS> (1,958)
935279-95-1

>  <URL> (1,958)
N/A

$$$$
WAY-301464
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  3  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 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> (1,959)
1960

>  <Formula> (1,959)
C18H13N3O

>  <MolWeight> (1,959)
287.31532

>  <Cat> (1,959)
P3749

>  <Name> (1,959)
WAY-301464

>  <Synonyms> (1,959)
N/A

>  <Target> (1,959)
Pim-1

>  <Form> (1,959)
free base

>  <CAS> (1,959)
79492-49-2

>  <URL> (1,959)
N/A

$$$$
WAY-301503
csChFnd80/09132309312D

 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
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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
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  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
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
  7  8  2  0  0  0  0
 11 13  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,960)
1961

>  <Formula> (1,960)
C14H9N3O4S

>  <MolWeight> (1,960)
315.30396

>  <Cat> (1,960)
P3748

>  <Name> (1,960)
WAY-301503

>  <Synonyms> (1,960)
N/A

>  <Target> (1,960)
CDK2

>  <Form> (1,960)
free base

>  <CAS> (1,960)
313530-30-2

>  <URL> (1,960)
N/A

$$$$
WAY-118985
csChFnd80/09132309312D

 19 21  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  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,961)
1962

>  <Formula> (1,961)
C13H12N4S2

>  <MolWeight> (1,961)
288.39118

>  <Cat> (1,961)
P3723

>  <Name> (1,961)
WAY-118985

>  <Synonyms> (1,961)
N/A

>  <Target> (1,961)
TAOK2

>  <Form> (1,961)
free base

>  <CAS> (1,961)
315704-83-7

>  <URL> (1,961)
N/A

$$$$
WAY-603610
csChFnd80/09132309312D

 22 25  0  0  0  0  0  0  0  0999 V2000
    1.0542    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6083    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17  7  2  0  0  0  0
 18 11  1  0  0  0  0
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 20 10  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  1  0  0  0  0
  9 10  2  0  0  0  0
  3  5  1  0  0  0  0
  7 14  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,962)
1963

>  <Formula> (1,962)
C17H19N3OS

>  <MolWeight> (1,962)
313.41726

>  <Cat> (1,962)
P3434

>  <Name> (1,962)
WAY-603610

>  <Synonyms> (1,962)
N/A

>  <Target> (1,962)
GSK3

>  <Form> (1,962)
free base

>  <CAS> (1,962)
380450-97-5

>  <URL> (1,962)
N/A

$$$$
WAY-603814
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.6589   -0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  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  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
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  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 12 17  2  0  0  0  0
 15 18  2  0  0  0  0
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 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,963)
1964

>  <Formula> (1,963)
C16H13ClN2O3

>  <MolWeight> (1,963)
316.73902

>  <Cat> (1,963)
P3435

>  <Name> (1,963)
WAY-603814

>  <Synonyms> (1,963)
N/A

>  <Target> (1,963)
FGFR1, HSP 90 

>  <Form> (1,963)
free base

>  <CAS> (1,963)
308298-51-3

>  <URL> (1,963)
N/A

$$$$
WAY-636900
csChFnd80/09132309312D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 19  6  2  0  0  0  0
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 30 26  2  0  0  0  0
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M  END
>  <Mol_ID> (1,964)
1965

>  <Formula> (1,964)
C20H20N4O5S

>  <MolWeight> (1,964)
428.4616

>  <Cat> (1,964)
P3489

>  <Name> (1,964)
WAY-636900

>  <Synonyms> (1,964)
N/A

>  <Target> (1,964)
Aurora kinase A

>  <Form> (1,964)
free base

>  <CAS> (1,964)
792965-51-6

>  <URL> (1,964)
N/A

$$$$
WAY-636982
csChFnd80/09132309312D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
  1  5  1  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
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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 11 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,965)
1966

>  <Formula> (1,965)
C10H14N2O4

>  <MolWeight> (1,965)
226.22916

>  <Cat> (1,965)
P3490

>  <Name> (1,965)
WAY-636982

>  <Synonyms> (1,965)
N/A

>  <Target> (1,965)
Aurora kinase A

>  <Form> (1,965)
free base

>  <CAS> (1,965)
834-45-7

>  <URL> (1,965)
N/A

$$$$
WAY-637081
csChFnd80/09132309312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  2  0  0  0  0
  7 12  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  8  2  0  0  0  0
 12 14  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21  6  1  0  0  0  0
 22 13  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  1  0  0  0  0
 17 18  2  0  0  0  0
 10 13  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,966)
1967

>  <Formula> (1,966)
C17H11ClN4O2

>  <MolWeight> (1,966)
338.74784

>  <Cat> (1,966)
P3491

>  <Name> (1,966)
WAY-637081

>  <Synonyms> (1,966)
N/A

>  <Target> (1,966)
VEGFR2,Casein kinase 1d

>  <Form> (1,966)
free base

>  <CAS> (1,966)
793722-88-0

>  <URL> (1,966)
N/A

$$$$
WAY-637493
csChFnd80/09132309312D

 25 29  0  0  0  0  0  0  0  0999 V2000
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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  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 21  1  0  0  0  0
 15 13  1  0  0  0  0
 16  2  1  0  0  0  0
 17  6  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  9  1  0  0  0  0
 21 20  2  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  2  0  0  0  0
  4  8  1  0  0  0  0
 12 11  2  0  0  0  0
 24 25  1  0  0  0  0
 14 13  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,967)
1968

>  <Formula> (1,967)
C18H14N4O3

>  <MolWeight> (1,967)
334.32876

>  <Cat> (1,967)
P3492

>  <Name> (1,967)
WAY-637493

>  <Synonyms> (1,967)
N/A

>  <Target> (1,967)
Fyn

>  <Form> (1,967)
free base

>  <CAS> (1,967)
791600-64-1

>  <URL> (1,967)
N/A

$$$$
WAY-637845
csChFnd80/09132309312D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
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 10 12  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 11 10  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,968)
1969

>  <Formula> (1,968)
C10H10INO

>  <MolWeight> (1,968)
287.09697

>  <Cat> (1,968)
P3493

>  <Name> (1,968)
WAY-637845

>  <Synonyms> (1,968)
N/A

>  <Target> (1,968)
others

>  <Form> (1,968)
free base

>  <CAS> (1,968)
794539-14-3

>  <URL> (1,968)
N/A

$$$$
WAY-655860
csChFnd80/09132309312D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,969)
1970

>  <Formula> (1,969)
C13H11N3S

>  <MolWeight> (1,969)
241.31154

>  <Cat> (1,969)
P3520

>  <Name> (1,969)
WAY-655860

>  <Synonyms> (1,969)
N/A

>  <Target> (1,969)
B-Raf

>  <Form> (1,969)
free base

>  <CAS> (1,969)
63895-45-4

>  <URL> (1,969)
N/A

$$$$
WAY-655978
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9750    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9333   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1292   -0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0833   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7250   -3.3750    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  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13 16  2  0  0  0  0
 14 12  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 12  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  7  3  2  0  0  0  0
 13 15  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,970)
1971

>  <Formula> (1,970)
C16H12ClN3OS

>  <MolWeight> (1,970)
329.80398

>  <Cat> (1,970)
P3521

>  <Name> (1,970)
WAY-655978

>  <Synonyms> (1,970)
N/A

>  <Target> (1,970)
ROCK, ERK, GSK, and AGC

>  <Form> (1,970)
free base

>  <CAS> (1,970)
692869-98-0

>  <URL> (1,970)
N/A

$$$$
WAY-656283
csChFnd80/09132309312D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.6333   -1.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -1.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8792    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9625   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125    1.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  2  0  0  0  0
  7  9  1  0  0  0  0
  8  5  2  0  0  0  0
  9 16  2  0  0  0  0
 10 15  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17  3  1  0  0  0  0
  4  6  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,971)
1972

>  <Formula> (1,971)
C12H11NO3S

>  <MolWeight> (1,971)
249.28564

>  <Cat> (1,971)
P3522

>  <Name> (1,971)
WAY-656283

>  <Synonyms> (1,971)
N/A

>  <Target> (1,971)
p38

>  <Form> (1,971)
free base

>  <CAS> (1,971)
263270-62-8

>  <URL> (1,971)
N/A

$$$$
WAY-656935
csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.9000    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9000    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    3.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -2.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6250   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -3.2042    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  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 12 16  2  0  0  0  0
 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 17  2  0  0  0  0
 23 22  1  0  0  0  0
  7  3  2  0  0  0  0
 12 15  1  0  0  0  0
 23 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,972)
1973

>  <Formula> (1,972)
C17H15N3O2S

>  <MolWeight> (1,972)
325.3849

>  <Cat> (1,972)
P3523

>  <Name> (1,972)
WAY-656935

>  <Synonyms> (1,972)
N/A

>  <Target> (1,972)
 ROCK, ERK, GSK, and AGC 

>  <Form> (1,972)
free base

>  <CAS> (1,972)
852902-81-9

>  <URL> (1,972)
N/A

$$$$
WAY-657460
csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0333    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7333   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7542    3.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -4.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -4.6750    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  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10 18  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 12  2  0  0  0  0
 20  8  2  0  0  0  0
 21  8  1  0  0  0  0
 22 16  2  0  0  0  0
 23 15  1  0  0  0  0
  6  3  2  0  0  0  0
 10 17  2  0  0  0  0
 22 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,973)
1974

>  <Formula> (1,973)
C17H15N3O2S

>  <MolWeight> (1,973)
325.3849

>  <Cat> (1,973)
P3524

>  <Name> (1,973)
WAY-657460

>  <Synonyms> (1,973)
N/A

>  <Target> (1,973)
 ROCK, ERK, GSK, and AGC 

>  <Form> (1,973)
free base

>  <CAS> (1,973)
853325-19-6

>  <URL> (1,973)
N/A

$$$$
WAY-323534
csChFnd80/09132309312D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.2375   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -4.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -4.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8792   -5.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6500   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4875   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1792   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  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  1  0  0  0  0
 14 10  2  0  0  0  0
 15 17  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19  8  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
  7  9  2  0  0  0  0
  3  4  1  0  0  0  0
 15 18  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,974)
1975

>  <Formula> (1,974)
C20H16ClN3O

>  <MolWeight> (1,974)
349.81354

>  <Cat> (1,974)
P3339

>  <Name> (1,974)
WAY-323534

>  <Synonyms> (1,974)
N/A

>  <Target> (1,974)
PASK

>  <Form> (1,974)
free base

>  <CAS> (1,974)
854040-96-3

>  <URL> (1,974)
N/A

$$$$
WAY-323878-A
csChFnd80/09132309312D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.9625    7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    8.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    5.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167    6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167    7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5875    6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917    8.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167    5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250    8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    9.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2375    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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14  3  1  0  0  0  0
 15 13  2  0  0  0  0
 16  4  2  0  0  0  0
 17  5  2  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
  4  5  1  0  0  0  0
 19 18  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,975)
1976

>  <Formula> (1,975)
C16H14N2O

>  <MolWeight> (1,975)
250.29516

>  <Cat> (1,975)
P3340

>  <Name> (1,975)
WAY-323878-A

>  <Synonyms> (1,975)
N/A

>  <Target> (1,975)
CDK

>  <Form> (1,975)
free base

>  <CAS> (1,975)
1185726-51-5

>  <URL> (1,975)
N/A

$$$$
WAY-323879
csChFnd80/09132309312D

 18 20  0  0  0  0  0  0  0  0999 V2000
    6.9167    5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375    7.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375    3.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667    5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917    6.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250    6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4167    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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14  4  2  0  0  0  0
 15  5  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
  4  5  1  0  0  0  0
 18 17  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,976)
1977

>  <Formula> (1,976)
C15H14N2O

>  <MolWeight> (1,976)
238.28446

>  <Cat> (1,976)
P3341

>  <Name> (1,976)
WAY-323879

>  <Synonyms> (1,976)
N/A

>  <Target> (1,976)
CDK

>  <Form> (1,976)
free base

>  <CAS> (1,976)
685097-43-2

>  <URL> (1,976)
N/A

$$$$
WAY-324418
csChFnd80/09132309312D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.8833   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    3.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    3.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -1.7000    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  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16  8  1  0  0  0  0
 17 14  2  0  0  0  0
 18 16  2  0  0  0  0
  7  5  2  0  0  0  0
  6  8  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,977)
1978

>  <Formula> (1,977)
C11H10N4O2S

>  <MolWeight> (1,977)
262.2877

>  <Cat> (1,977)
P3342

>  <Name> (1,977)
WAY-324418

>  <Synonyms> (1,977)
N/A

>  <Target> (1,977)
Anti-infection

>  <Form> (1,977)
free base

>  <CAS> (1,977)
681838-49-3

>  <URL> (1,977)
N/A

$$$$
WAY-324420
csChFnd80/09132309312D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.7292   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.1708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    0.7833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4292    1.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    2.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -2.3000    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
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 15  2  0  0  0  0
 19 18  1  0  0  0  0
  8  4  1  0  0  0  0
  6  5  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,978)
1979

>  <Formula> (1,978)
C12H12N4O2S

>  <MolWeight> (1,978)
276.31428

>  <Cat> (1,978)
P3343

>  <Name> (1,978)
WAY-324420

>  <Synonyms> (1,978)
N/A

>  <Target> (1,978)
Anti-infection

>  <Form> (1,978)
free base

>  <CAS> (1,978)
681838-50-6

>  <URL> (1,978)
N/A

$$$$
WAY-324709
csChFnd80/09132309312D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.3414    0.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793    0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    0.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793   -0.8031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034    0.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793   -0.9928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5517    1.4796    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379    1.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724   -0.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483    2.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828   -1.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1379    0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517   -0.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483   -2.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759   -1.1135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621   -1.9066    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
  4  8  1  0  0  0  0
  5  9  1  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
  9 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  8  2  0  0  0  0
 11 13  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,979)
1980

>  <Formula> (1,979)
C15H9FN2O3

>  <MolWeight> (1,979)
284.2419632

>  <Cat> (1,979)
P3344

>  <Name> (1,979)
WAY-324709

>  <Synonyms> (1,979)
N/A

>  <Target> (1,979)
ATP-kinase

>  <Form> (1,979)
free base

>  <CAS> (1,979)
69785-85-9

>  <URL> (1,979)
N/A

$$$$
WAY-325065
csChFnd80/09132309312D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.8333    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    3.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    3.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5500    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4958    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    1.0958    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  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7 11  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11 14  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 10  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 21  1  0  0  0  0
 21 12  2  0  0  0  0
 22 20  2  0  0  0  0
 23 15  1  0  0  0  0
 24 19  1  0  0  0  0
  4  5  2  0  0  0  0
 19 22  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,980)
1981

>  <Formula> (1,980)
C16H17N7S

>  <MolWeight> (1,980)
339.41808

>  <Cat> (1,980)
P3345

>  <Name> (1,980)
WAY-325065

>  <Synonyms> (1,980)
N/A

>  <Target> (1,980)
MtSk

>  <Form> (1,980)
free base

>  <CAS> (1,980)
689762-76-3

>  <URL> (1,980)
N/A

$$$$
WAY-325185
csChFnd80/09132309312D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    2.0500  -20.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125  -21.1167    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  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  2  0  0  0  0
 13 18  1  0  0  0  0
 14  3  1  0  0  0  0
 15  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 24 22  1  0  0  0  0
 25 20  1  0  0  0  0
  9  8  1  0  0  0  0
  4  6  1  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,981)
1982

>  <Formula> (1,981)
C17H21N5O3

>  <MolWeight> (1,981)
343.38034

>  <Cat> (1,981)
P3346

>  <Name> (1,981)
WAY-325185

>  <Synonyms> (1,981)
N/A

>  <Target> (1,981)
VEGFR

>  <Form> (1,981)
free base

>  <CAS> (1,981)
342785-98-2

>  <URL> (1,981)
N/A

$$$$
WAY-325484
csChFnd80/09132309312D

 20 21  0  0  0  0  0  0  0  0999 V2000
   12.7542   -8.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542   -9.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375  -10.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1125   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8792   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9292   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250  -10.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  3  0  0  0  0
  9  4  1  0  0  0  0
 10 12  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 19  1  0  0  0  0
 16  9  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
  6  3  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,982)
1983

>  <Formula> (1,982)
C16H18N4

>  <MolWeight> (1,982)
266.34092

>  <Cat> (1,982)
P3347

>  <Name> (1,982)
WAY-325484

>  <Synonyms> (1,982)
N/A

>  <Target> (1,982)
CDK8

>  <Form> (1,982)
free base

>  <CAS> (1,982)
642002-74-2

>  <URL> (1,982)
N/A

$$$$
WAY-325485
csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
   13.7292   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167  -10.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8875   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0375  -10.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8417  -10.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167  -11.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  3  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
  6  5  2  0  0  0  0
 14 13  2  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,983)
1984

>  <Formula> (1,983)
C17H13N3O

>  <MolWeight> (1,983)
275.30462

>  <Cat> (1,983)
P3348

>  <Name> (1,983)
WAY-325485

>  <Synonyms> (1,983)
N/A

>  <Target> (1,983)
Others

>  <Form> (1,983)
free base

>  <CAS> (1,983)
177937-81-4

>  <URL> (1,983)
N/A

$$$$
WAY-325487
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.7332    4.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5153    2.2709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2787    2.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4944    6.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9631    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0255    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  3  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  5  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 21  2  0  0  0  0
 19  6  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
  4  6  2  0  0  0  0
 14 13  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,984)
1985

>  <Formula> (1,984)
C17H12FN3O

>  <MolWeight> (1,984)
293.2950832

>  <Cat> (1,984)
P3349

>  <Name> (1,984)
WAY-325487

>  <Synonyms> (1,984)
N/A

>  <Target> (1,984)
Others

>  <Form> (1,984)
free base

>  <CAS> (1,984)
575471-15-7

>  <URL> (1,984)
N/A

$$$$
WAY-325490
csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.8387    7.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5413    7.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2440    7.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2440    6.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5413    6.1804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8387    6.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1361    6.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5413    8.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9466    7.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6455    8.2861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0000    5.0281    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 16  2  0  0  0  0
  7 20  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  3  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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,985)
1986

>  <Formula> (1,985)
C16H10ClN3O

>  <MolWeight> (1,985)
295.7231

>  <Cat> (1,985)
P3350

>  <Name> (1,985)
WAY-325490

>  <Synonyms> (1,985)
N/A

>  <Target> (1,985)
mitogen activated protein kinase-activated p

>  <Form> (1,985)
free base

>  <CAS> (1,985)
77607-70-6

>  <URL> (1,985)
N/A

$$$$
WAY-606344
csChFnd80/09132309312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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   -0.6750    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1958    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1042   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  2  1  0  0  0  0
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  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10 18  2  0  0  0  0
 11  7  2  0  0  0  0
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 20  8  2  0  0  0  0
  5  4  2  0  0  0  0
 13 14  2  0  0  0  0
 10 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,986)
1987

>  <Formula> (1,986)
C14H8ClN3O2

>  <MolWeight> (1,986)
285.68522

>  <Cat> (1,986)
P3437

>  <Name> (1,986)
WAY-606344

>  <Synonyms> (1,986)
N/A

>  <Target> (1,986)
Casein kinase 1d

>  <Form> (1,986)
free base

>  <CAS> (1,986)
380423-28-9

>  <URL> (1,986)
N/A

$$$$
WAY-606954
csChFnd80/09132309312D

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 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  2  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,987)
1988

>  <Formula> (1,987)
C18H20N4O

>  <MolWeight> (1,987)
308.3776

>  <Cat> (1,987)
P3438

>  <Name> (1,987)
WAY-606954

>  <Synonyms> (1,987)
N/A

>  <Target> (1,987)
GSK3

>  <Form> (1,987)
free base

>  <CAS> (1,987)
748145-12-2

>  <URL> (1,987)
N/A

$$$$
WAY-606956
csChFnd80/09132309312D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  7  2  0  0  0  0
 15  5  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 10  1  0  0  0  0
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  3  5  1  0  0  0  0
  7 13  1  0  0  0  0
 21 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,988)
1989

>  <Formula> (1,988)
C18H20N4O

>  <MolWeight> (1,988)
308.3776

>  <Cat> (1,988)
P3439

>  <Name> (1,988)
WAY-606956

>  <Synonyms> (1,988)
N/A

>  <Target> (1,988)
GSK3

>  <Form> (1,988)
free base

>  <CAS> (1,988)
748145-19-9

>  <URL> (1,988)
N/A

$$$$
WAY-606957
csChFnd80/09132309312D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  5  2  1  0  0  0  0
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  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15  5  1  0  0  0  0
 16 20  2  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
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  9 10  2  0  0  0  0
  3  4  2  0  0  0  0
 21 16  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,989)
1990

>  <Formula> (1,989)
C18H20N4O

>  <MolWeight> (1,989)
308.3776

>  <Cat> (1,989)
P3440

>  <Name> (1,989)
WAY-606957

>  <Synonyms> (1,989)
N/A

>  <Target> (1,989)
GSK3

>  <Form> (1,989)
free base

>  <CAS> (1,989)
1062138-03-7

>  <URL> (1,989)
N/A

$$$$
WAY-606958
csChFnd80/09132309312D

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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15  5  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 10  1  0  0  0  0
 20 16  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  2  0  0  0  0
 23 20  1  0  0  0  0
 24 15  1  0  0  0  0
 25 19  1  0  0  0  0
 26 22  1  0  0  0  0
 27 21  2  0  0  0  0
 28 24  1  0  0  0  0
 29 26  2  0  0  0  0
  4  9  2  0  0  0  0
 10  8  2  0  0  0  0
 16 18  2  0  0  0  0
 29 27  1  0  0  0  0
 28 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,990)
1991

>  <Formula> (1,990)
C23H23N5O

>  <MolWeight> (1,990)
385.46162

>  <Cat> (1,990)
P3441

>  <Name> (1,990)
WAY-606958

>  <Synonyms> (1,990)
N/A

>  <Target> (1,990)
Casein kinase 1¦Ä

>  <Form> (1,990)
free base

>  <CAS> (1,990)
882220-11-3

>  <URL> (1,990)
N/A

$$$$
WAY-297629
csChFnd80/09132309312D

 26 29  0  0  0  0  0  0  0  0999 V2000
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    0.5793    1.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724   -1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3276   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655    0.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724   -0.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8172    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 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
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 16 19  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,991)
1992

>  <Formula> (1,991)
C21H18N2O3

>  <MolWeight> (1,991)
346.37922

>  <Cat> (1,991)
P3299

>  <Name> (1,991)
WAY-297629

>  <Synonyms> (1,991)
N/A

>  <Target> (1,991)
VEGFR2

>  <Form> (1,991)
free base

>  <CAS> (1,991)
371213-22-8

>  <URL> (1,991)
N/A

$$$$
GI-569525
csChFnd80/09132309312D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.3625    1.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4763    1.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168    0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4763   -0.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4763    1.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.4358    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5030    0.4953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1755    2.8435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7590    3.4711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4763   -0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5038    1.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0824   -0.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9410    1.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5038   -0.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4763   -1.8323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5030   -1.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2686   -0.5289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0824    2.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0824   -2.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168   -1.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5030   -3.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2694   -2.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3341   -3.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,992)
1993

>  <Formula> (1,992)
C18H17NO4S

>  <MolWeight> (1,992)
343.39688

>  <Cat> (1,992)
P3260

>  <Name> (1,992)
GI-569525

>  <Synonyms> (1,992)
N/A

>  <Target> (1,992)
Anti-infection

>  <Form> (1,992)
free base

>  <CAS> (1,992)
96334-43-9

>  <URL> (1,992)
N/A

$$$$
WAY-298041
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0586   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172    0.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966    0.9207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690   -2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103    1.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103    0.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    1.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7207    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7138   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5310    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
  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
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  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> (1,993)
1994

>  <Formula> (1,993)
C17H15N3O2

>  <MolWeight> (1,993)
293.3199

>  <Cat> (1,993)
P3300

>  <Name> (1,993)
WAY-298041

>  <Synonyms> (1,993)
N/A

>  <Target> (1,993)
c-Met

>  <Form> (1,993)
free base

>  <CAS> (1,993)
299405-67-7

>  <URL> (1,993)
N/A

$$$$
WAY-298350
csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.5005   -5.8010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0735   -4.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3310   -5.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735   -8.2515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7420   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5005   -7.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620   -7.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -3.3665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5890   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1450   -9.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1695   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7420   -8.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5640   -8.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675   -8.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1450  -10.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -7.4350    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  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  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  3  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 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
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
  6  9  1  0  0  0  0
 20 21  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,994)
1995

>  <Formula> (1,994)
C17H17NO3

>  <MolWeight> (1,994)
283.32178

>  <Cat> (1,994)
P3301

>  <Name> (1,994)
WAY-298350

>  <Synonyms> (1,994)
N/A

>  <Target> (1,994)
A kinase anchor protein/protein kinase A int

>  <Form> (1,994)
free base

>  <CAS> (1,994)
304888-67-3

>  <URL> (1,994)
N/A

$$$$
WAY-298516
csChFnd80/09132309312D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.0297    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9262    1.2942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2703    0.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3193   -0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5331    2.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7910   -0.7232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9428    1.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1779   -1.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434   -1.4507    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0848    1.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4124    3.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0634   -1.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0572   -2.9266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6814    3.2390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9876   -0.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4014   -2.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2393   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -2.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6048   -1.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  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
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 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
  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> (1,995)
1996

>  <Formula> (1,995)
C14H13ClN2O3

>  <MolWeight> (1,995)
292.71762

>  <Cat> (1,995)
P3302

>  <Name> (1,995)
WAY-298516

>  <Synonyms> (1,995)
N/A

>  <Target> (1,995)
Androgen Receptor,RAD51,GSK-3

>  <Form> (1,995)
free base

>  <CAS> (1,995)
103056-35-5

>  <URL> (1,995)
N/A

$$$$
WAY-298668
csChFnd80/09132309312D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.9483   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483   -0.8621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483   -0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931   -0.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0793   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6690   -0.2483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310   -0.9483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690   -0.0276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4310   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414    1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897    1.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    2.1034    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
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 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
 15 17  2  0  0  0  0
 15 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  2  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
 20 22  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,996)
1997

>  <Formula> (1,996)
C22H23N5O3

>  <MolWeight> (1,996)
405.44972

>  <Cat> (1,996)
P3303

>  <Name> (1,996)
WAY-298668

>  <Synonyms> (1,996)
N/A

>  <Target> (1,996)
Aurora-A,JAMM protease

>  <Form> (1,996)
free base

>  <CAS> (1,996)
371224-09-8

>  <URL> (1,996)
N/A

$$$$
WAY-607324
csChFnd80/09132309312D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.6042   -0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    1.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -2.0792    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  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14 16  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  2  0  0  0  0
 17 19  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  2  0  0  0  0
  3  5  1  0  0  0  0
 17 14  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,997)
1998

>  <Formula> (1,997)
C13H8N2O2S2

>  <MolWeight> (1,997)
288.34482

>  <Cat> (1,997)
P3442

>  <Name> (1,997)
WAY-607324

>  <Synonyms> (1,997)
N/A

>  <Target> (1,997)
Mcl-1,ASK1

>  <Form> (1,997)
free base

>  <CAS> (1,997)
1427537-92-5

>  <URL> (1,997)
N/A

$$$$
WAY-607500
csChFnd80/09132309312D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.1750    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    2.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    1.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -3.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    2.3583    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  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  2  0  0  0  0
  9  2  2  0  0  0  0
 10  6  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
  5  3  1  0  0  0  0
  8 12  1  0  0  0  0
 23 19  2  0  0  0  0
 11 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,998)
1999

>  <Formula> (1,998)
C19H18N2O2

>  <MolWeight> (1,998)
306.35842

>  <Cat> (1,998)
P3443

>  <Name> (1,998)
WAY-607500

>  <Synonyms> (1,998)
N/A

>  <Target> (1,998)
VEGFR

>  <Form> (1,998)
free base

>  <CAS> (1,998)
186610-88-8

>  <URL> (1,998)
N/A

$$$$
WAY-607738
csChFnd80/09132309312D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.4167   -3.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -3.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -4.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    3.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -2.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375   -0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 11  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  2  0  0  0  0
 10  7  1  0  0  0  0
 11 19  1  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  2  0  0  0  0
 15 14  1  0  0  0  0
 16  4  2  0  0  0  0
 17  6  2  0  0  0  0
 18 13  1  0  0  0  0
 19 22  1  0  0  0  0
 20  3  1  0  0  0  0
 21 13  2  0  0  0  0
 22 12  1  0  0  0  0
 23 11  2  0  0  0  0
 24 18  1  0  0  0  0
 25 21  1  0  0  0  0
 26 12  2  0  0  0  0
 27  1  1  0  0  0  0
 28  2  1  0  0  0  0
 29 14  1  0  0  0  0
 30 15  1  0  0  0  0
 31 29  2  0  0  0  0
 32 31  1  0  0  0  0
  6  5  1  0  0  0  0
  8  9  1  0  0  0  0
 32 30  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,999)
2000

>  <Formula> (1,999)
C22H18N4O6

>  <MolWeight> (1,999)
434.40152

>  <Cat> (1,999)
P3444

>  <Name> (1,999)
WAY-607738

>  <Synonyms> (1,999)
N/A

>  <Target> (1,999)
Mcl-1,mitogen-activated protein kinase phosp

>  <Form> (1,999)
free base

>  <CAS> (1,999)
522624-94-8

>  <URL> (1,999)
N/A

$$$$
WAY-607777
csChFnd80/09132309312D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.3042    0.2708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    1.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13 20  2  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17  5  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 11  1  0  0  0  0
 23 17  2  0  0  0  0
 24 23  1  0  0  0  0
 12 14  2  0  0  0  0
 13 21  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,000)
2001

>  <Formula> (2,000)
C16H12ClN3O2S2

>  <MolWeight> (2,000)
377.86838

>  <Cat> (2,000)
P3445

>  <Name> (2,000)
WAY-607777

>  <Synonyms> (2,000)
N/A

>  <Target> (2,000)
Casein kinase 1d

>  <Form> (2,000)
free base

>  <CAS> (2,000)
522626-08-0

>  <URL> (2,000)
N/A

$$$$
WAY-619275
csChFnd80/09132309312D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.9167    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9167    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    2.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -1.5542    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  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,001)
2002

>  <Formula> (2,001)
C12H11N5O

>  <MolWeight> (2,001)
241.24864

>  <Cat> (2,001)
P3457

>  <Name> (2,001)
WAY-619275

>  <Synonyms> (2,001)
N/A

>  <Target> (2,001)
Plk1 kinase,EphB2

>  <Form> (2,001)
free base

>  <CAS> (2,001)
73663-97-5

>  <URL> (2,001)
N/A

$$$$
WAY-619999
csChFnd80/09132309312D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -4.4292    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125   -0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4292   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8583   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    1.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1417   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1458   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542   -1.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1458    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2125    0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8583   -1.4875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2125   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8583    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875    0.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6958    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4333   -0.6625    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  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11 17  2  0  0  0  0
 12 11  1  0  0  0  0
 13  2  2  0  0  0  0
 14 24  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  2  0  0  0  0
 17 31  1  0  0  0  0
 18  7  2  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22  1  1  0  0  0  0
 23 27  1  0  0  0  0
 24 15  1  0  0  0  0
 25 11  1  0  0  0  0
 26  5  1  0  0  0  0
 27 21  2  0  0  0  0
 28 23  1  0  0  0  0
 29 20  1  0  0  0  0
 30 22  1  0  0  0  0
 31 29  1  0  0  0  0
 30 26  1  0  0  0  0
  3  6  2  0  0  0  0
 10 16  1  0  0  0  0
 12 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,002)
2003

>  <Formula> (2,002)
C22H19Cl2N3O4

>  <MolWeight> (2,002)
460.30996

>  <Cat> (2,002)
P3458

>  <Name> (2,002)
WAY-619999

>  <Synonyms> (2,002)
N/A

>  <Target> (2,002)
CK2,GSK3¦Â

>  <Form> (2,002)
free base

>  <CAS> (2,002)
736932-33-5

>  <URL> (2,002)
N/A

$$$$
WAY-620099
csChFnd80/09132309312D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.5875    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    0.5750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2708    1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.7458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6792   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2708    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9833    1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9833    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5292   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125   -0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
  9  8  2  0  0  0  0
  4  5  1  0  0  0  0
 20 19  1  0  0  0  0
 11 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,003)
2004

>  <Formula> (2,003)
C15H12ClN3S

>  <MolWeight> (2,003)
301.79388

>  <Cat> (2,003)
P3459

>  <Name> (2,003)
WAY-620099

>  <Synonyms> (2,003)
N/A

>  <Target> (2,003)
tyrosine kinase,PI3K,phosphodiesterase V

>  <Form> (2,003)
free base

>  <CAS> (2,003)
128277-24-7

>  <URL> (2,003)
N/A

$$$$
WAY-620147
csChFnd80/09132309312D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.1537   -0.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1525   -0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6715   -1.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1921   -0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893   -0.0960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6697    0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6350    0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348    0.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1164   -0.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4023    0.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4438    0.1995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4411    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9599    1.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4809    0.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4785    0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6713   -1.6020    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  7  8  2  0  0  0  0
  4  5  1  0  0  0  0
  7  9  1  0  0  0  0
  2  3  1  0  0  0  0
  9 10  1  0  0  0  0
  5  6  2  0  0  0  0
 10 11  1  0  0  0  0
  6  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  3  4  2  0  0  0  0
 12 17  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
  3 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,004)
2005

>  <Formula> (2,004)
C12H16BrN3O2

>  <MolWeight> (2,004)
314.17834

>  <Cat> (2,004)
P3460

>  <Name> (2,004)
WAY-620147

>  <Synonyms> (2,004)
N/A

>  <Target> (2,004)
monoamine oxidase a

>  <Form> (2,004)
free base

>  <CAS> (2,004)
515866-67-8

>  <URL> (2,004)
N/A

$$$$
WAY-638641
csChFnd80/09132309312D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.9125   -1.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -1.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8042   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    2.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -1.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -1.9292    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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 17  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10 21  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18  4  1  0  0  0  0
 19  8  2  0  0  0  0
 20  4  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 15  1  0  0  0  0
 24 22  1  0  0  0  0
 25 18  1  0  0  0  0
  4  5  1  0  0  0  0
 16 25  1  0  0  0  0
 10  7  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,005)
2006

>  <Formula> (2,005)
C16H17N3O5S

>  <MolWeight> (2,005)
363.38828

>  <Cat> (2,005)
P3494

>  <Name> (2,005)
WAY-638641

>  <Synonyms> (2,005)
N/A

>  <Target> (2,005)
Aurora kinase A

>  <Form> (2,005)
free base

>  <CAS> (2,005)
796068-62-7

>  <URL> (2,005)
N/A

$$$$
WAY-638796
csChFnd80/09132309312D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.4500    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.4542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 19  1  0  0  0  0
 19 16  2  0  0  0  0
  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> (2,006)
2007

>  <Formula> (2,006)
C14H10ClN3S

>  <MolWeight> (2,006)
287.7673

>  <Cat> (2,006)
P3495

>  <Name> (2,006)
WAY-638796

>  <Synonyms> (2,006)
N/A

>  <Target> (2,006)
tyrosine kinase

>  <Form> (2,006)
free base

>  <CAS> (2,006)
796067-64-6

>  <URL> (2,006)
N/A

$$$$
WAY-639405
csChFnd80/09132309312D

 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
    0.9917    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    2.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7792    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2583   -4.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2792   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    2.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    3.3333    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  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 21  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  2  0  0  0  0
 23 20  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 28  1  0  0  0  0
 28 26  2  0  0  0  0
  8  9  2  0  0  0  0
  5  3  2  0  0  0  0
 27 18  2  0  0  0  0
 13 12  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,007)
2008

>  <Formula> (2,007)
C21H18N4O2S

>  <MolWeight> (2,007)
390.45822

>  <Cat> (2,007)
P3496

>  <Name> (2,007)
WAY-639405

>  <Synonyms> (2,007)
N/A

>  <Target> (2,007)
tyrosine kinase,phosphodiesterase V

>  <Form> (2,007)
free base

>  <CAS> (2,007)
796052-04-5

>  <URL> (2,007)
N/A

$$$$
WAY-658341
csChFnd80/09132309312D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.2417   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    0.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    1.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.6208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -0.7167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10 12  2  0  0  0  0
 11  3  1  0  0  0  0
 12 16  1  0  0  0  0
 13  2  1  0  0  0  0
 14 11  2  0  0  0  0
 15  9  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19  9  1  0  0  0  0
 20 15  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
 24 18  2  0  0  0  0
 25 19  2  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
  4  6  1  0  0  0  0
 28 22  2  0  0  0  0
  3  7  2  0  0  0  0
 27 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,008)
2009

>  <Formula> (2,008)
C18H15BrN6O2S

>  <MolWeight> (2,008)
459.3197

>  <Cat> (2,008)
P3525

>  <Name> (2,008)
WAY-658341

>  <Synonyms> (2,008)
N/A

>  <Target> (2,008)
Casein kinase 1d

>  <Form> (2,008)
free base

>  <CAS> (2,008)
849012-74-4

>  <URL> (2,008)
N/A

$$$$
WAY-658513
csChFnd80/09132309312D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0083    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    3.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -3.0542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -1.1417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    3.0833    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  9  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  3  1  0  0  0  0
 13  7  2  0  0  0  0
 14 21  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17 18  2  0  0  0  0
 18 11  1  0  0  0  0
 19 10  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  2  0  0  0  0
  8  3  2  0  0  0  0
 14 20  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,009)
2010

>  <Formula> (2,009)
C16H11ClFN3OS

>  <MolWeight> (2,009)
347.7944432

>  <Cat> (2,009)
P3526

>  <Name> (2,009)
WAY-658513

>  <Synonyms> (2,009)
N/A

>  <Target> (2,009)
ROCK, ERK, GSK, and AGC

>  <Form> (2,009)
free base

>  <CAS> (2,009)
692870-25-0

>  <URL> (2,009)
N/A

$$$$
WAY-326250
csChFnd80/09132309312D

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.0667   -6.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -5.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7042   -8.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -6.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -8.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -7.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -3.3875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4125   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7125   -7.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167  -10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167  -10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167  -10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6417    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19 11  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 18  1  0  0  0  0
  8  4  1  0  0  0  0
  7  9  1  0  0  0  0
 16 14  2  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,010)
2011

>  <Formula> (2,010)
C15H13N5OS

>  <MolWeight> (2,010)
311.36162

>  <Cat> (2,010)
P3351

>  <Name> (2,010)
WAY-326250

>  <Synonyms> (2,010)
N/A

>  <Target> (2,010)
shikimate kinase

>  <Form> (2,010)
free base

>  <CAS> (2,010)
869872-13-9

>  <URL> (2,010)
N/A

$$$$
WAY-326542
csChFnd80/09132309312D

 21 23  0  0  0  0  0  0  0  0999 V2000
   11.6667   -7.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042  -10.3792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.6667   -9.5417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2042   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3250   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042  -12.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3167   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -7.8542    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
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15  1  1  0  0  0  0
 16  8  1  0  0  0  0
 17  5  2  0  0  0  0
 18  7  2  0  0  0  0
 19  9  1  0  0  0  0
 20 21  2  0  0  0  0
 21 18  1  0  0  0  0
  5  2  1  0  0  0  0
 13 11  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,011)
2012

>  <Formula> (2,011)
C16H15NO3S

>  <MolWeight> (2,011)
301.3602

>  <Cat> (2,011)
P3352

>  <Name> (2,011)
WAY-326542

>  <Synonyms> (2,011)
N/A

>  <Target> (2,011)
CDK5/p25

>  <Form> (2,011)
free base

>  <CAS> (2,011)
870983-04-3

>  <URL> (2,011)
N/A

$$$$
WAY-326578
csChFnd80/09132309312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 21  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
  7  3  1  0  0  0  0
  6  9  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,012)
2013

>  <Formula> (2,012)
C16H16N2O3S

>  <MolWeight> (2,012)
316.37484

>  <Cat> (2,012)
P3353

>  <Name> (2,012)
WAY-326578

>  <Synonyms> (2,012)
N/A

>  <Target> (2,012)
GSK-3b

>  <Form> (2,012)
free base

>  <CAS> (2,012)
870984-34-2

>  <URL> (2,012)
N/A

$$$$
WAY-326890
csChFnd80/09132309312D

 25 27  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
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11  1  2  0  0  0  0
 12  8  2  0  0  0  0
 13  3  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  2  0  0  0  0
 16  3  2  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 19 10  2  0  0  0  0
 20 12  1  0  0  0  0
 21  8  1  0  0  0  0
 22 21  2  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 20  1  0  0  0  0
 18  6  1  0  0  0  0
  7  5  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,013)
2014

>  <Formula> (2,013)
C17H17N3O3S2

>  <MolWeight> (2,013)
375.46518

>  <Cat> (2,013)
P3354

>  <Name> (2,013)
WAY-326890

>  <Synonyms> (2,013)
N/A

>  <Target> (2,013)
Others

>  <Form> (2,013)
free base

>  <CAS> (2,013)
685865-67-2

>  <URL> (2,013)
N/A

$$$$
WAY-326891
csChFnd80/09132309312D

 25 27  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
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  2  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17  8  2  0  0  0  0
 18 10  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
 16  6  1  0  0  0  0
  7  5  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,014)
2015

>  <Formula> (2,014)
C17H17N3O3S2

>  <MolWeight> (2,014)
375.46518

>  <Cat> (2,014)
P3355

>  <Name> (2,014)
WAY-326891

>  <Synonyms> (2,014)
N/A

>  <Target> (2,014)
kinase

>  <Form> (2,014)
free base

>  <CAS> (2,014)
685865-71-8

>  <URL> (2,014)
N/A

$$$$
WAY-326892
csChFnd80/09132309312D

 25 27  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
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10  1  2  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14  3  2  0  0  0  0
 15  3  2  0  0  0  0
 16 10  1  0  0  0  0
 17 16  2  0  0  0  0
 18  9  2  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
 17  6  1  0  0  0  0
  7  5  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,015)
2016

>  <Formula> (2,015)
C17H17N3O3S2

>  <MolWeight> (2,015)
375.46518

>  <Cat> (2,015)
P3356

>  <Name> (2,015)
WAY-326892

>  <Synonyms> (2,015)
N/A

>  <Target> (2,015)
kinase

>  <Form> (2,015)
free base

>  <CAS> (2,015)
685865-72-9

>  <URL> (2,015)
N/A

$$$$
WAY-326893
csChFnd80/09132309312D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.4180   12.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  1  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  2  0  0  0  0
 13  3  2  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  2  0  0  0  0
 17  8  2  0  0  0  0
 18 15  1  0  0  0  0
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 16  6  1  0  0  0  0
  7  5  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,016)
2017

>  <Formula> (2,016)
C17H17N3O3S2

>  <MolWeight> (2,016)
375.46518

>  <Cat> (2,016)
P3357

>  <Name> (2,016)
WAY-326893

>  <Synonyms> (2,016)
N/A

>  <Target> (2,016)
Others

>  <Form> (2,016)
free base

>  <CAS> (2,016)
685865-73-0

>  <URL> (2,016)
N/A

$$$$
WAY-326894
csChFnd80/09132309312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  8 11  1  0  0  0  0
  9  1  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  2  0  0  0  0
 13  3  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19  8  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 23  2  0  0  0  0
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 16  6  1  0  0  0  0
  7  5  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,017)
2018

>  <Formula> (2,017)
C15H12FN3O3S2

>  <MolWeight> (2,017)
365.4024832

>  <Cat> (2,017)
P3358

>  <Name> (2,017)
WAY-326894

>  <Synonyms> (2,017)
N/A

>  <Target> (2,017)
kinase

>  <Form> (2,017)
free base

>  <CAS> (2,017)
685865-75-2

>  <URL> (2,017)
N/A

$$$$
WAY-327480
csChFnd80/09132309312D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  2  7  1  0  0  0  0
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  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7 19  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  1  0  0  0  0
 15  6  2  0  0  0  0
 16 11  1  0  0  0  0
 17  7  2  0  0  0  0
 18 15  1  0  0  0  0
 19 25  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  2  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 28  1  0  0  0  0
 26  8  2  0  0  0  0
 27  9  2  0  0  0  0
 28 24  1  0  0  0  0
 29 26  1  0  0  0  0
 30 29  2  0  0  0  0
 24 22  1  0  0  0  0
  4  3  2  0  0  0  0
 30 27  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,018)
2019

>  <Formula> (2,018)
C22H19N3O3S2

>  <MolWeight> (2,018)
437.53456

>  <Cat> (2,018)
P3359

>  <Name> (2,018)
WAY-327480

>  <Synonyms> (2,018)
N/A

>  <Target> (2,018)
ROS

>  <Form> (2,018)
free base

>  <CAS> (2,018)
687576-28-9

>  <URL> (2,018)
N/A

$$$$
WAY-328158
csChFnd80/09132309312D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3 10  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  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  1  0  0  0  0
 13  2  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  2  0  0  0  0
 16 13  2  0  0  0  0
 17 14  2  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20 22  1  0  0  0  0
 21  5  1  0  0  0  0
 22 18  2  0  0  0  0
 23 17  1  0  0  0  0
 24  9  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
  5  9  2  0  0  0  0
 27 26  1  0  0  0  0
 12 11  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,019)
2020

>  <Formula> (2,019)
C19H16FN3O3S

>  <MolWeight> (2,019)
385.4120432

>  <Cat> (2,019)
P3360

>  <Name> (2,019)
WAY-328158

>  <Synonyms> (2,019)
N/A

>  <Target> (2,019)
BCR-ABL

>  <Form> (2,019)
free base

>  <CAS> (2,019)
688050-42-2

>  <URL> (2,019)
N/A

$$$$
WAY-621129
csChFnd80/09132309312D

 20 22  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
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  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
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
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 18 20  1  0  0  0  0
  8 12  1  0  0  0  0
 11 15  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,020)
2021

>  <Formula> (2,020)
C16H12O4

>  <MolWeight> (2,020)
268.26408

>  <Cat> (2,020)
P3461

>  <Name> (2,020)
WAY-621129

>  <Synonyms> (2,020)
N/A

>  <Target> (2,020)
SIRT6,BCRP/ABCG2,CK2,HIV-1 protease,CDK

>  <Form> (2,020)
free base

>  <CAS> (2,020)
6889-78-7

>  <URL> (2,020)
N/A

$$$$
WAY-621555
csChFnd80/09132309312D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,021)
2022

>  <Formula> (2,021)
C22H21N5

>  <MolWeight> (2,021)
355.43564

>  <Cat> (2,021)
P3462

>  <Name> (2,021)
WAY-621555

>  <Synonyms> (2,021)
N/A

>  <Target> (2,021)
Casein kinase 1¦Ä

>  <Form> (2,021)
free base

>  <CAS> (2,021)
956753-89-2

>  <URL> (2,021)
N/A

$$$$
WAY-621640
csChFnd80/09132309312D

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 16  4  2  0  0  0  0
 17  1  1  0  0  0  0
 18  5  1  0  0  0  0
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 15 20  1  0  0  0  0
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M  END
>  <Mol_ID> (2,022)
2023

>  <Formula> (2,022)
C17H15N3O2S

>  <MolWeight> (2,022)
325.3849

>  <Cat> (2,022)
P3463

>  <Name> (2,022)
WAY-621640

>  <Synonyms> (2,022)
N/A

>  <Target> (2,022)
Casein kinase 1¦Ä

>  <Form> (2,022)
free base

>  <CAS> (2,022)
742113-71-9

>  <URL> (2,022)
N/A

$$$$
WAY-621856
csChFnd80/09132309312D

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 10  6  2  0  0  0  0
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 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 14  9  2  0  0  0  0
 15  7  1  0  0  0  0
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M  END
>  <Mol_ID> (2,023)
2024

>  <Formula> (2,023)
C16H9N5O3S

>  <MolWeight> (2,023)
351.33936

>  <Cat> (2,023)
P3464

>  <Name> (2,023)
WAY-621856

>  <Synonyms> (2,023)
N/A

>  <Target> (2,023)
FGFR

>  <Form> (2,023)
free base

>  <CAS> (2,023)
606958-57-0

>  <URL> (2,023)
N/A

$$$$
WAY-639932
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (2,024)
2025

>  <Formula> (2,024)
C17H12N4S2

>  <MolWeight> (2,024)
336.43398

>  <Cat> (2,024)
P3497

>  <Name> (2,024)
WAY-639932

>  <Synonyms> (2,024)
N/A

>  <Target> (2,024)
Casein kinase 1¦Ä

>  <Form> (2,024)
free base

>  <CAS> (2,024)
851467-69-1

>  <URL> (2,024)
N/A

$$$$
WAY-660114
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (2,025)
2026

>  <Formula> (2,025)
C14H9FN6S2

>  <MolWeight> (2,025)
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WAY-660114

>  <Synonyms> (2,025)
N/A

>  <Target> (2,025)
kinase

>  <Form> (2,025)
free base

>  <CAS> (2,025)
871317-00-9

>  <URL> (2,025)
N/A

$$$$
WAY-660222
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (2,026)
2027

>  <Formula> (2,026)
C19H13FO

>  <MolWeight> (2,026)
276.3043232

>  <Cat> (2,026)
P3528

>  <Name> (2,026)
WAY-660222

>  <Synonyms> (2,026)
N/A

>  <Target> (2,026)
EGFR

>  <Form> (2,026)
free base

>  <CAS> (2,026)
867294-23-3

>  <URL> (2,026)
N/A

$$$$
WAY-660667
csChFnd80/09132309312D

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 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
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 11 10  1  0  0  0  0
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M  END
>  <Mol_ID> (2,027)
2028

>  <Formula> (2,027)
C17H17N5O3

>  <MolWeight> (2,027)
339.34858

>  <Cat> (2,027)
P3529

>  <Name> (2,027)
WAY-660667

>  <Synonyms> (2,027)
N/A

>  <Target> (2,027)
ROS

>  <Form> (2,027)
free base

>  <CAS> (2,027)
871218-26-7

>  <URL> (2,027)
N/A

$$$$
WAY-661516
csChFnd80/09132309312D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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 17  8  1  0  0  0  0
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 21  9  1  0  0  0  0
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M  END
>  <Mol_ID> (2,028)
2029

>  <Formula> (2,028)
C15H15ClFN3O5

>  <MolWeight> (2,028)
371.7481032

>  <Cat> (2,028)
P3530

>  <Name> (2,028)
WAY-661516

>  <Synonyms> (2,028)
N/A

>  <Target> (2,028)
Aurora kinase A

>  <Form> (2,028)
free base

>  <CAS> (2,028)
875163-98-7

>  <URL> (2,028)
N/A

$$$$
CL-230482
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (2,029)
2030

>  <Formula> (2,029)
C15H12N2O

>  <MolWeight> (2,029)
236.26858

>  <Cat> (2,029)
P3255

>  <Name> (2,029)
CL-230482

>  <Synonyms> (2,029)
N/A

>  <Target> (2,029)
PDGFR

>  <Form> (2,029)
free base

>  <CAS> (2,029)
909859-35-4

>  <URL> (2,029)
N/A

$$$$
WYE-163716-A
csChFnd80/09132309312D

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M  END
>  <Mol_ID> (2,030)
2031

>  <Formula> (2,030)
C15H14N4O2S2

>  <MolWeight> (2,030)
346.42726

>  <Cat> (2,030)
P3533

>  <Name> (2,030)
WYE-163716-A

>  <Synonyms> (2,030)
N/A

>  <Target> (2,030)
rRNA ErmC' methyltransferase,F508del-CFTR,PI

>  <Form> (2,030)
free base

>  <CAS> (2,030)
92902-64-2

>  <URL> (2,030)
N/A

$$$$
WYE-175765
csChFnd80/09132309312D

 22 23  0  0  0  0  0  0  0  0999 V2000
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   -0.8708    0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -3.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
 19 17  2  0  0  0  0
 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> (2,031)
2032

>  <Formula> (2,031)
C14H13NO6S

>  <MolWeight> (2,031)
323.32112

>  <Cat> (2,031)
P3534

>  <Name> (2,031)
WYE-175765

>  <Synonyms> (2,031)
N/A

>  <Target> (2,031)
JAK3,YopH,antibacterial

>  <Form> (2,031)
free base

>  <CAS> (2,031)
956236-35-4

>  <URL> (2,031)
N/A

$$$$
WYE-175829
csChFnd80/09132309312D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.3792   -0.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0333    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7667    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.6083    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
  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
 16  9  2  0  0  0  0
 17 11  1  0  0  0  0
 18 13  2  0  0  0  0
 19 15  2  0  0  0  0
 16 14  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,032)
2033

>  <Formula> (2,032)
C13H14N2O3S

>  <MolWeight> (2,032)
278.32686

>  <Cat> (2,032)
P3535

>  <Name> (2,032)
WYE-175829

>  <Synonyms> (2,032)
N/A

>  <Target> (2,032)
tyrosine kinase,gonadotropin-releasing hormo

>  <Form> (2,032)
free base

>  <CAS> (2,032)
327093-01-6

>  <URL> (2,032)
N/A

$$$$
WYE-175837
csChFnd80/09132309312D

 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
   -1.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6452   -0.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349   -2.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6556    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8755   -1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1452    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651    2.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1556    3.8379    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  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  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
  8 10  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,033)
2034

>  <Formula> (2,033)
C14H14N2O2

>  <MolWeight> (2,033)
242.27316

>  <Cat> (2,033)
P3536

>  <Name> (2,033)
WYE-175837

>  <Synonyms> (2,033)
N/A

>  <Target> (2,033)
BTK,VEGFR-2,Protein Arginine Deiminase

>  <Form> (2,033)
free base

>  <CAS> (2,033)
891-35-0

>  <URL> (2,033)
N/A

$$$$
WYE-175840
csChFnd80/09132309312D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.2375    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.8458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7333   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -3.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5042    3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  4  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18  3  1  0  0  0  0
 19  6  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  3  4  1  0  0  0  0
 15 17  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,034)
2035

>  <Formula> (2,034)
C17H19N5O3S

>  <MolWeight> (2,034)
373.42946

>  <Cat> (2,034)
P3537

>  <Name> (2,034)
WYE-175840

>  <Synonyms> (2,034)
N/A

>  <Target> (2,034)
Glutamate Racemase,protein kinase-activated 

>  <Form> (2,034)
free base

>  <CAS> (2,034)
380432-29-1

>  <URL> (2,034)
N/A

$$$$
WYE-176092
csChFnd80/09132309312D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.5910    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6324    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3186   -0.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1331    0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9531   -0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3531    0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1669   -1.3511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7090   -1.0477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090    0.7040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1565    1.9385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9807   -0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3669    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331   -0.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435   -0.5960    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1952    0.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2228   -0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9435    0.5730    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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,035)
2036

>  <Formula> (2,035)
C12H14N2O2S2

>  <MolWeight> (2,035)
282.38176

>  <Cat> (2,035)
P3538

>  <Name> (2,035)
WYE-176092

>  <Synonyms> (2,035)
N/A

>  <Target> (2,035)
Anti-infection

>  <Form> (2,035)
free base

>  <CAS> (2,035)
121746-06-3

>  <URL> (2,035)
N/A

$$$$
WAY-333491
csChFnd80/09132309312D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -6.7667    5.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083    6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1375    8.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3625    6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7667    3.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9667    8.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3625    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1292   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5250    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9417    5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9417    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3625    0.7208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9417   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5500    2.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -16.0000   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
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LRRK2

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free base

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852375-30-5

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N/A

$$$$
WAY-333434
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M  END
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WAY-333434

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N/A

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free base

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721964-45-0

>  <URL> (2,037)
N/A

$$$$
WAY-662864
csChFnd80/09132309312D

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WAY-662864

>  <Synonyms> (2,038)
N/A

>  <Target> (2,038)
UMPK

>  <Form> (2,038)
free base

>  <CAS> (2,038)
1621866-83-8

>  <URL> (2,038)
N/A

$$$$
WAY-278752
csChFnd80/09132309312D

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>  <Formula> (2,039)
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>  <MolWeight> (2,039)
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WAY-278752

>  <Synonyms> (2,039)
N/A

>  <Target> (2,039)
IGF1R

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free base

>  <CAS> (2,039)
331652-38-1

>  <URL> (2,039)
N/A

$$$$
WAY-329594
csChFnd80/09132309312D

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>  <Formula> (2,040)
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>  <MolWeight> (2,040)
412.2815

>  <Cat> (2,040)
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>  <Name> (2,040)
WAY-329594

>  <Synonyms> (2,040)
N/A

>  <Target> (2,040)
others

>  <Form> (2,040)
free base

>  <CAS> (2,040)
956910-37-5

>  <URL> (2,040)
N/A

$$$$
WAY-329599
csChFnd80/09132309312D

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2042

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351.3759032

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WAY-329599

>  <Synonyms> (2,041)
N/A

>  <Target> (2,041)
others

>  <Form> (2,041)
free base

>  <CAS> (2,041)
956910-38-6

>  <URL> (2,041)
N/A

$$$$
WAY-329603
csChFnd80/09132309312D

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2043

>  <Formula> (2,042)
C15H12ClN3O3S2

>  <MolWeight> (2,042)
381.85708

>  <Cat> (2,042)
P3372

>  <Name> (2,042)
WAY-329603

>  <Synonyms> (2,042)
N/A

>  <Target> (2,042)
others

>  <Form> (2,042)
free base

>  <CAS> (2,042)
956910-39-7

>  <URL> (2,042)
N/A

$$$$
WAY-329598
csChFnd80/09132309312D

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2044

>  <Formula> (2,043)
C16H15N3O3S2

>  <MolWeight> (2,043)
361.4386

>  <Cat> (2,043)
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WAY-329598

>  <Synonyms> (2,043)
N/A

>  <Target> (2,043)
others

>  <Form> (2,043)
free base

>  <CAS> (2,043)
956910-48-8

>  <URL> (2,043)
N/A

$$$$
WAY-329607
csChFnd80/09132309312D

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>  <Mol_ID> (2,044)
2045

>  <Formula> (2,044)
C14H9ClFN3O3S2

>  <MolWeight> (2,044)
385.8209632

>  <Cat> (2,044)
P3373

>  <Name> (2,044)
WAY-329607

>  <Synonyms> (2,044)
N/A

>  <Target> (2,044)
others

>  <Form> (2,044)
free base

>  <CAS> (2,044)
956920-91-5

>  <URL> (2,044)
N/A

$$$$
WAY-278535
csChFnd80/09132309312D

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2046

>  <Formula> (2,045)
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>  <MolWeight> (2,045)
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>  <Cat> (2,045)
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>  <Name> (2,045)
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>  <Synonyms> (2,045)
N/A

>  <Target> (2,045)
Pim-1,Pim-2,PPAR

>  <Form> (2,045)
free base

>  <CAS> (2,045)
24138-83-8

>  <URL> (2,045)
N/A

$$$$
