untitled.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (1)
2

>  <Formula> (1)
C21H18FN5O

>  <MolWeight> (1)
375.3989232

>  <Cat> (1)
S1003

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

>  <Synonyms> (1)
AL-39324

>  <Target> (1)
PDGFR, VEGFR

>  <Form> (1)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (2)
4

>  <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
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (3)
5

>  <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

$$$$
untitled.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (4)
7

>  <Formula> (4)
C31H33N5O4

>  <MolWeight> (4)
539.62482

>  <Cat> (4)
S1010

>  <Name> (4)
Nintedanib (BIBF 1120)

>  <Synonyms> (4)
N/A 

>  <Target> (4)
VEGFR, PDGFR, FGFR

>  <Form> (4)
Free Base

>  <CAS> (4)
656247-17-5

>  <URL> (4)
http://www.selleckchem.com/products/BIBF1120.html

$$$$
untitled.cdx
csChFnd80/12262214282D

 33 37  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.2124    0.0000 C   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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 10  5  1  0  0  0  0
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  2 24  1  0  0  0  0
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 23 26  1  0  0  0  0
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 33 29  1  0  0  0  0
M  END
>  <Mol_ID> (5)
10

>  <Formula> (5)
C25H27FN4O3

>  <MolWeight> (5)
450.5052832

>  <Cat> (5)
S1017

>  <Name> (5)
Cediranib (AZD2171)

>  <Synonyms> (5)
Recentin 

>  <Target> (5)
VEGFR, Flt

>  <Form> (5)
Free Base

>  <CAS> (5)
288383-20-0

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

$$$$
Dasatinib.cdx
csChFnd80/12262214282D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 27 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (6)
12

>  <Formula> (6)
C22H26ClN7O2S

>  <MolWeight> (6)
488.00554

>  <Cat> (6)
S1021

>  <Name> (6)
Dasatinib

>  <Synonyms> (6)
BMS-354825

>  <Target> (6)
Src, Bcr-Abl, c-Kit

>  <Form> (6)
Free Base

>  <CAS> (6)
302962-49-8

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

$$$$

csChFnd80/12262214282D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (7)
14

>  <Formula> (7)
C21H21FN6O

>  <MolWeight> (7)
392.4294432

>  <Cat> (7)
S1018

>  <Name> (7)
Dovitinib (TKI-258, CHIR-258)

>  <Synonyms> (7)
N/A

>  <Target> (7)
c-Kit, FGFR, Flt, VEGFR, PDGFR 

>  <Form> (7)
Free base

>  <CAS> (7)
405169-16-6

>  <URL> (7)
http://www.selleckchem.com/products/CHIR-258.html

$$$$
untitled.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (8)
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>  <Formula> (8)
C22H24ClFN4O3

>  <MolWeight> (8)
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>  <Cat> (8)
S1025

>  <Name> (8)
Gefitinib (ZD1839)

>  <Synonyms> (8)
N/A

>  <Target> (8)
EGFR

>  <Form> (8)
Free Base

>  <CAS> (8)
184475-35-2

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

$$$$
Imatinib Mesylate.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (9)
16

>  <Formula> (9)
C30H35N7O4S

>  <MolWeight> (9)
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>  <Cat> (9)
S1026

>  <Name> (9)
Imatinib Mesylate (STI571)

>  <Synonyms> (9)
CGP-57148B, ST-1571 Mesylate

>  <Target> (9)
PDGFR, c-Kit, Bcr-Abl

>  <Form> (9)
Mesylate

>  <CAS> (9)
220127-57-1

>  <URL> (9)
http://www.selleckchem.com/products/Imatinib-Mesylate.html

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (10)
17

>  <Formula> (10)
C43H42ClFN4O10S3

>  <MolWeight> (10)
925.4607832

>  <Cat> (10)
S1028

>  <Name> (10)
Lapatinib (GW-572016) Ditosylate

>  <Synonyms> (10)
GW-57201

>  <Target> (10)
EGFR, HER2

>  <Form> (10)
Ditosylat

>  <CAS> (10)
388082-77-7

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

$$$$
untitled.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (11)
18

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Lenalidomide (CC-5013)

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CC-5013

>  <Target> (11)
TNF-alpha

>  <Form> (11)
Free Base

>  <CAS> (11)
191732-72-6

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

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/12262214282D

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>  <Mol_ID> (12)
20

>  <Formula> (12)
C22H29N5O9P2

>  <MolWeight> (12)
569.441282

>  <Cat> (12)
S1032

>  <Name> (12)
Motesanib Diphosphate (AMG-706)

>  <Synonyms> (12)
AMG-706

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

>  <Form> (12)
Diphosphate

>  <CAS> (12)
857876-30-3

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

$$$$
untitled.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (13)
22

>  <Formula> (13)
C21H24ClN7O2S

>  <MolWeight> (13)
473.97896

>  <Cat> (13)
S1035

>  <Name> (13)
Pazopanib HCl

>  <Synonyms> (13)
GW786034

>  <Target> (13)
VEGFR, PDGFR, c-Kit

>  <Form> (13)
Hydrochloride

>  <CAS> (13)
635702-64-6

>  <URL> (13)
http://www.selleckchem.com/products/Pazopanib-Hydrochloride.html

$$$$

csChFnd80/12262214282D

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>  <Mol_ID> (14)
28

>  <Formula> (14)
C28H24ClF3N4O6S

>  <MolWeight> (14)
637.0265696

>  <Cat> (14)
S1040

>  <Name> (14)
Sorafenib Tosylate

>  <Synonyms> (14)
Bay 43-9006 

>  <Target> (14)
VEGFR, PDGFR, Raf

>  <Form> (14)
Tosylate

>  <CAS> (14)
475207-59-1

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

$$$$

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M  END
>  <Mol_ID> (15)
30

>  <Formula> (15)
C26H33FN4O7

>  <MolWeight> (15)
532.5612232

>  <Cat> (15)
S1042

>  <Name> (15)
Sunitinib Malate

>  <Synonyms> (15)
N/A

>  <Target> (15)
VEGFR, PDGFR, c-Kit, Flt

>  <Form> (15)
Malate

>  <CAS> (15)
341031-54-7

>  <URL> (15)
http://www.selleckchem.com/products/Sunitinib-Malate-(Sutent).html

$$$$
untitled.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (16)
32

>  <Formula> (16)
C23H28N8OS

>  <MolWeight> (16)
464.58642

>  <Cat> (16)
S1048

>  <Name> (16)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (16)
N/A 

>  <Target> (16)
Aurora Kinase

>  <Form> (16)
Free Base

>  <CAS> (16)
639089-54-6

>  <URL> (16)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
untitled.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (17)
40

>  <Formula> (17)
C28H30N6OS

>  <MolWeight> (17)
498.6424

>  <Cat> (17)
S1064

>  <Name> (17)
Masitinib (AB1010)

>  <Synonyms> (17)
N/A 

>  <Target> (17)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (17)
Free Base

>  <CAS> (17)
790299-79-5

>  <URL> (17)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

$$$$
untitled.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (18)
42

>  <Formula> (18)
C22H16N4O3

>  <MolWeight> (18)
384.38744

>  <Cat> (18)
S1067

>  <Name> (18)
SB 431542

>  <Synonyms> (18)
N/A

>  <Target> (18)
TGF-beta/Smad

>  <Form> (18)
Free Base

>  <CAS> (18)
301836-41-9

>  <URL> (18)
http://www.selleckchem.com/products/SB-431542.html

$$$$
NVP-AUY922 .cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (19)
43

>  <Formula> (19)
C26H31N3O5

>  <MolWeight> (19)
465.54144

>  <Cat> (19)
S1069

>  <Name> (19)
Luminespib (AUY-922, NVP-AUY922)

>  <Synonyms> (19)
VER-52296

>  <Target> (19)
HSP

>  <Form> (19)
Free Base

>  <CAS> (19)
747412-49-3

>  <URL> (19)
http://www.selleckchem.com/products/NVP-AUY922.html

$$$$
untitled.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (20)
49

>  <Formula> (20)
C28H30ClN5O4S

>  <MolWeight> (20)
568.0869

>  <Cat> (20)
S1080

>  <Name> (20)
SU11274

>  <Synonyms> (20)
PKI-SU11274

>  <Target> (20)
c-Met 

>  <Form> (20)
Free Base

>  <CAS> (20)
658084-23-2

>  <URL> (20)
http://www.selleckchem.com/products/SU11274.html

$$$$
Brivanib.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (21)
51

>  <Formula> (21)
C19H19FN4O3

>  <MolWeight> (21)
370.3775632

>  <Cat> (21)
S1084

>  <Name> (21)
Brivanib (BMS-540215)

>  <Synonyms> (21)
N/A 

>  <Target> (21)
VEGFR, FGFR

>  <Form> (21)
Free Base

>  <CAS> (21)
649735-46-6

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

$$$$
NVP-ADW742.cdx
csChFnd80/12262214282D

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57

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C44H47F2N9O5S

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GSK1904529A

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N/A

>  <Target> (23)
IGF-1R

>  <Form> (23)
Free Base

>  <CAS> (23)
1089283-49-7

>  <URL> (23)
http://www.selleckchem.com/products/GSK1904529A.html

$$$$
untitled.cdx
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>  <Mol_ID> (24)
58

>  <Formula> (24)
C19H16N8O

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372.38334

>  <Cat> (24)
S1094

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PF-04217903

>  <Synonyms> (24)
N/A

>  <Target> (24)
c-Met 

>  <Form> (24)
Free Base

>  <CAS> (24)
956905-27-4

>  <URL> (24)
http://www.selleckchem.com/products/PF-04217903.html

$$$$
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>  <Mol_ID> (25)
62

>  <Formula> (25)
C20H17Cl3N4

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S1101

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Vatalanib (PTK787) 2HCl

>  <Synonyms> (25)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (25)
VEGFR, c-Kit, Flt

>  <Form> (25)
Dihydrochloride

>  <CAS> (25)
212141-51-0

>  <URL> (25)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

$$$$
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>  <Mol_ID> (26)
69

>  <Formula> (26)
C26H30N6O3

>  <MolWeight> (26)
474.5548

>  <Cat> (26)
S1107

>  <Name> (26)
Danusertib (PHA-739358)

>  <Synonyms> (26)
N/A 

>  <Target> (26)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (26)
Free Base

>  <CAS> (26)
827318-97-8

>  <URL> (26)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

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>  <Mol_ID> (27)
72

>  <Formula> (27)
C34H34F2N4O6

>  <MolWeight> (27)
632.6537664

>  <Cat> (27)
S1111

>  <Name> (27)
Foretinib (GSK1363089, XL880)

>  <Synonyms> (27)
N/A 

>  <Target> (27)
c-Met, VEGFR

>  <Form> (27)
Free Base

>  <CAS> (27)
849217-64-7

>  <URL> (27)
http://www.selleckchem.com/products/XL880(GSK1363089,EXEL-2880).html

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (28)
73

>  <Formula> (28)
C19H13F2N7

>  <MolWeight> (28)
377.3502264

>  <Cat> (28)
S1114

>  <Name> (28)
JNJ-38877605

>  <Synonyms> (28)
N/A

>  <Target> (28)
c-Met 

>  <Form> (28)
Free Base

>  <CAS> (28)
943540-75-8

>  <URL> (28)
http://www.selleckchem.com/products/JNJ-38877605.html

$$$$
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M  END
>  <Mol_ID> (29)
80

>  <Formula> (29)
C28H24FN3O5

>  <MolWeight> (29)
501.5056632

>  <Cat> (29)
S1119

>  <Name> (29)
Cabozantinib (XL184, BMS-907351)

>  <Synonyms> (29)
N/A

>  <Target> (29)
VEGFR, c-Met, Flt, Tie-2, c-Kit

>  <Form> (29)
Free Base

>  <CAS> (29)
849217-68-1

>  <URL> (29)
http://www.selleckchem.com/products/XL184.html

$$$$

csChFnd80/12262214282D

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>  <Mol_ID> (30)
85

>  <Formula> (30)
C22H24FN5O4

>  <MolWeight> (30)
441.4554632

>  <Cat> (30)
S1138

>  <Name> (30)
Brivanib alaninate (BMS-582664)

>  <Synonyms> (30)
N/A 

>  <Target> (30)
VEGFR, FGFR

>  <Form> (30)
Alaninate

>  <CAS> (30)
649735-63-7

>  <URL> (30)
http://www.selleckchem.com/products/Brivanib-alaninate.html

$$$$
AG-490.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (31)
87

>  <Formula> (31)
C17H14N2O3

>  <MolWeight> (31)
294.30466

>  <Cat> (31)
S1143

>  <Name> (31)
AG-490 (Tyrphostin B42)

>  <Synonyms> (31)
N/A

>  <Target> (31)
JAK, EGFR

>  <Form> (31)
Free Base

>  <CAS> (31)
133550-30-8 

>  <URL> (31)
http://www.selleckchem.com/products/AG-490.html

$$$$
CP-724,714.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (32)
98

>  <Formula> (32)
C27H27N5O3

>  <MolWeight> (32)
469.53498

>  <Cat> (32)
S1167

>  <Name> (32)
CP-724714

>  <Synonyms> (32)
N/A

>  <Target> (32)
EGFR, HER2

>  <Form> (32)
Free Base

>  <CAS> (32)
537705-08-1

>  <URL> (32)
http://www.selleckchem.com/products/CP-724714.html

$$$$
WZ3146.cdx
csChFnd80/12262214282D

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693228-63-6

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EGFR

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1213269-23-8

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M  END
>  <Mol_ID> (37)
108

>  <Formula> (37)
C24H25ClN6OS

>  <MolWeight> (37)
481.0129

>  <Cat> (37)
S1179

>  <Name> (37)
WZ8040

>  <Synonyms> (37)
N/A

>  <Target> (37)
EGFR

>  <Form> (37)
Free Base

>  <CAS> (37)
1214265-57-2

>  <URL> (37)
http://www.selleckchem.com/products/WZ8040.html

$$$$
ENMD-2076.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (38)
110

>  <Formula> (38)
C21H25N7

>  <MolWeight> (38)
375.4701

>  <Cat> (38)
S1181

>  <Name> (38)
ENMD-2076

>  <Synonyms> (38)
N/A 

>  <Target> (38)
Flt, Aurora Kinase, VEGFR

>  <Form> (38)
Tartaric Acid 

>  <CAS> (38)
934353-76-1

>  <URL> (38)
http://www.selleckchem.com/products/ENMD-2076.html

$$$$
Aprepitant.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (39)
116

>  <Formula> (39)
C23H21F7N4O3

>  <MolWeight> (39)
534.4266624

>  <Cat> (39)
S1189

>  <Name> (39)
Aprepitant (MK-0869)

>  <Synonyms> (39)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (39)
Substance P

>  <Form> (39)
Free Base

>  <CAS> (39)
170729-80-3

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

$$$$
S119401 CUDC-101.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (40)
120

>  <Formula> (40)
C24H26N4O4

>  <MolWeight> (40)
434.48764

>  <Cat> (40)
S1194

>  <Name> (40)
CUDC-101

>  <Synonyms> (40)
N/A

>  <Target> (40)
HDAC, EGFR, HER2

>  <Form> (40)
Free Base

>  <CAS> (40)
1012054-59-9

>  <URL> (40)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
AV-951.cdx
csChFnd80/12262214282D

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C22H19ClN4O5

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Tivozanib (AV-951)

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VEGFR, c-Kit, PDGFR

>  <Form> (41)
Free Base

>  <CAS> (41)
475108-18-0

>  <URL> (41)
http://www.selleckchem.com/products/AV-951.html

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C22H16F3N3O2S

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OSI-930

>  <Synonyms> (42)
N/A

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c-Kit, VEGFR

>  <Form> (42)
Free Base

>  <CAS> (42)
728033-96-3

>  <URL> (42)
http://www.selleckchem.com/products/OSI-930.html

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144

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C23H21N5O3S

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>  <Name> (43)
Amuvatinib (MP-470)

>  <Synonyms> (43)
N/A 

>  <Target> (43)
c-Met, c-Kit, PDGFR, Flt, c-RET

>  <Form> (43)
Free Base

>  <CAS> (43)
850879-09-3

>  <URL> (43)
http://www.selleckchem.com/products/MP-470.html

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C28H41N7O3

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PD173074

>  <Synonyms> (44)
N/A

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FGFR, VEGFR

>  <Form> (44)
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>  <CAS> (44)
219580-11-7

>  <URL> (44)
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IL Receptor

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Free Base

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18296

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Topoisomerase
EGFR

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Free Base

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446-72-0

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

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c-Met, VEGFR, Tie-2 

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Free Base

>  <CAS> (47)
875337-44-3

>  <URL> (47)
http://www.selleckchem.com/products/MGCD-265.html

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VEGFR, c-Kit, PDGFR

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Free Base

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228559-41-9

>  <URL> (48)
http://www.selleckchem.com/products/Ki8751.html

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252916-29-3

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>  <Mol_ID> (54)
304

>  <Formula> (54)
C27H32N6

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440.58318

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AEE788 (NVP-AEE788)

>  <Synonyms> (54)
N/A 

>  <Target> (54)
EGFR, Flt, VEGFR, HER2

>  <Form> (54)
Free Base

>  <CAS> (54)
497839-62-0

>  <URL> (54)
http://www.selleckchem.com/products/AEE788.html

$$$$
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>  <Mol_ID> (55)
308

>  <Formula> (55)
C29H27F3N6O

>  <MolWeight> (55)
532.5594896

>  <Cat> (55)
S1490

>  <Name> (55)
Ponatinib (AP24534)

>  <Synonyms> (55)
N/A 

>  <Target> (55)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (55)
Free Base

>  <CAS> (55)
943319-70-8

>  <URL> (55)
http://www.selleckchem.com/products/AP24534.html

$$$$
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>  <Mol_ID> (56)
321

>  <Formula> (56)
C29H32N6O4S

>  <MolWeight> (56)
560.66718

>  <Cat> (56)
S1526

>  <Name> (56)
Quizartinib (AC220)

>  <Synonyms> (56)
N/A 

>  <Target> (56)
Flt

>  <Form> (56)
Free Base

>  <CAS> (56)
950769-58-1

>  <URL> (56)
http://www.selleckchem.com/products/AC-220.html

$$$$
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Syk 

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841290-80-0

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http://www.selleckchem.com/products/R406(free-base).html

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VDA

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Free Base

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117570-53-3

>  <URL> (58)
http://www.selleckchem.com/products/DMXAA(ASA404).html

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KRN 633

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N/A 

>  <Target> (59)
VEGFR, PDGFR

>  <Form> (59)
Free Base

>  <CAS> (59)
286370-15-8

>  <URL> (59)
http://www.selleckchem.com/products/KRN-633.html

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BMS 777607

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c-Met

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Free Base

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1025720-94-8

>  <URL> (60)
http://www.selleckchem.com/products/BMS-777607.html

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TNF-alpha, COX

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19171-19-8

>  <URL> (61)
http://www.selleckchem.com/products/Pomalidomide(CC-4047).html

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    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6330    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0282    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    5.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    6.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375    7.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9251    6.4176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9251    5.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375    4.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7282    2.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1282    2.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8282    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1282    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7282    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2233    3.4976    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   16.9209    2.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9209    4.7058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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  9 11  1  0  0  0  0
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  5 13  1  0  0  0  0
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 17 14  1  0  0  0  0
 16 18  1  0  0  0  0
 14 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
 18 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
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 29 18  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
M  END
>  <Mol_ID> (62)
354

>  <Formula> (62)
C26H21N3O2S

>  <MolWeight> (62)
439.52884

>  <Cat> (62)
S1577

>  <Name> (62)
Tie2 kinase inhibitor

>  <Synonyms> (62)
N/A

>  <Target> (62)
Tie-2

>  <Form> (62)
Free Base

>  <CAS> (62)
948557-43-5

>  <URL> (62)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/12262214282D

 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> (63)
374

>  <Formula> (63)
C5H9NO3S

>  <MolWeight> (63)
163.19486

>  <Cat> (63)
S1623

>  <Name> (63)
Acetylcysteine

>  <Synonyms> (63)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (63)
AChR

>  <Form> (63)
Free Base

>  <CAS> (63)
616-91-1

>  <URL> (63)
http://www.selleckchem.com/products/Acetylcysteine.html

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/12262214282D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
  3 10  1  0  0  0  0
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  4 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
>  <Mol_ID> (64)
409

>  <Formula> (64)
C10H20N2S4

>  <MolWeight> (64)
296.5392

>  <Cat> (64)
S1680

>  <Name> (64)
Disulfiram (Antabuse)

>  <Synonyms> (64)
Antabuse, Antabus

>  <Target> (64)
Dehydrogenase

>  <Form> (64)
Free Base

>  <CAS> (64)
97-77-8

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

$$$$
APRISO (mesalamine).cdx
csChFnd80/12262214282D

 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> (65)
410

>  <Formula> (65)
C7H7NO3

>  <MolWeight> (65)
153.13538

>  <Cat> (65)
S1681

>  <Name> (65)
Mesalamine (Lialda)

>  <Synonyms> (65)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (65)
I¦ÊB/IKK

>  <Form> (65)
Free Base

>  <CAS> (65)
89-57-6

>  <URL> (65)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

$$$$
estradiol.cdx
csChFnd80/12262214282D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
M  END
>  <Mol_ID> (66)
425

>  <Formula> (66)
C18H24O2

>  <MolWeight> (66)
272.38196

>  <Cat> (66)
S1709

>  <Name> (66)
Estradiol

>  <Synonyms> (66)
17¦Â-estradiol, oestradiol, 17¦Â-Oestradiol, ¦Â-Estradiol 

>  <Target> (66)
Estrogen/progestogen Receptor

>  <Form> (66)
Free Base

>  <CAS> (66)
50-28-2

>  <URL> (66)
http://www.selleckchem.com/products/Estradiol.html

$$$$
DCC-2036.cdx
csChFnd80/12262214282D

 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
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    2.2075    0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 32 33  2  0  0  0  0
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 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> (67)
427

>  <Formula> (67)
C30H28FN7O3

>  <MolWeight> (67)
553.5868232

>  <Cat> (67)
S2634

>  <Name> (67)
DCC-2036 (Rebastinib)

>  <Synonyms> (67)
N/A 

>  <Target> (67)
Bcr-Abl

>  <Form> (67)
Free Base

>  <CAS> (67)
1020172-07-9

>  <URL> (67)
http://www.selleckchem.com/products/dcc-2036.html

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/12262214282D

 30 33  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
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    4.8455    1.3951    0.0000 C   0  0  2  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 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6331    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    7.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    8.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3876    6.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    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
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  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 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
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 23 24  1  0  0  0  0
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  7 27  1  6  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
M  END
>  <Mol_ID> (68)
438

>  <Formula> (68)
C22H30O5

>  <MolWeight> (68)
374.4706

>  <Cat> (68)
S1733

>  <Name> (68)
Methylprednisolone

>  <Synonyms> (68)
Medrol, Solu-Medrol, Medrone

>  <Target> (68)
Glucocorticoid Receptor

>  <Form> (68)
Free Base

>  <CAS> (68)
83-43-2

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

$$$$
Methylthiouracil.cdx
csChFnd80/12262214282D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  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
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    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (69)
481

>  <Formula> (69)
C5H6N2OS

>  <MolWeight> (69)
142.17894

>  <Cat> (69)
S3138

>  <Name> (69)
Methylthiouracil

>  <Synonyms> (69)
N/A

>  <Target> (69)
Others

>  <Form> (69)
Free Base

>  <CAS> (69)
20547

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

$$$$
untitled.cdx
csChFnd80/12262214282D

 37 41  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.1851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.5802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2166    6.5802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249   11.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   12.8252    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1774    3.0717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0454    1.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6001    5.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2324    5.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5224    6.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  7  1  0  0  0  0
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  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 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
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 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
 17 21  1  0  0  0  0
 11 22  1  0  0  0  0
 23 11  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 22 27  1  0  0  0  0
 26 28  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  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 29  1  0  0  0  0
 30 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (70)
497

>  <Formula> (70)
C29H41F2N5O

>  <MolWeight> (70)
513.6655464

>  <Cat> (70)
S2003

>  <Name> (70)
Maraviroc

>  <Synonyms> (70)
UK-427857, Celsentri 

>  <Target> (70)
CCR5 

>  <Form> (70)
Free Base

>  <CAS> (70)
376348-65-1

>  <URL> (70)
http://www.selleckchem.com/products/Maraviroc.html

$$$$
Tanshinone IIA.cdx
csChFnd80/12262214282D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    5.8451    0.0000 C   0  0  0  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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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
  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  2  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  0  0  0  0
M  END
>  <Mol_ID> (71)
509

>  <Formula> (71)
C19H18O3

>  <MolWeight> (71)
294.34442

>  <Cat> (71)
S2365

>  <Name> (71)
Tanshinone IIA (Tanshinone B)

>  <Synonyms> (71)
Tanshinone B, Tanshinone II

>  <Target> (71)
Lipase

>  <Form> (71)
Free Base

>  <CAS> (71)
568-72-9

>  <URL> (71)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

$$$$
AMG 458.cdx
csChFnd80/12262214282D

 40 44  0  0  0  0  0  0  0  0999 V2000
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c-Met

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913376-83-7 

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937265-83-3

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http://www.selleckchem.com/products/arry-380.html

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905854-02-6

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>  <Mol_ID> (80)
573

>  <Formula> (80)
C27H33FN6O7

>  <MolWeight> (80)
572.5853232

>  <Cat> (80)
S2769

>  <Name> (80)
Dovitinib Dilactic acid (TKI258 Dilactic aci

>  <Synonyms> (80)
CHIR-258 Dilactic acid 

>  <Target> (80)
Flt, FGFR, PDGFR, VEGFR, c-Kit

>  <Form> (80)
Dilactic Acid 

>  <CAS> (80)
852433-84-2

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

$$$$
AST-1306.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (81)
574

>  <Formula> (81)
C31H26ClFN4O5S

>  <MolWeight> (81)
621.0783432

>  <Cat> (81)
S2185

>  <Name> (81)
AST-1306

>  <Synonyms> (81)
N/A

>  <Target> (81)
EGFR

>  <Form> (81)
Mesylate

>  <CAS> (81)
1050500-29-2

>  <URL> (81)
http://www.selleckchem.com/products/ast-1306.html

$$$$
SB505124.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (82)
577

>  <Formula> (82)
C20H21N3O2

>  <MolWeight> (82)
335.39964

>  <Cat> (82)
S2186

>  <Name> (82)
SB-505124

>  <Synonyms> (82)
N/A 

>  <Target> (82)
TGF-beta/Smad 

>  <Form> (82)
Free Base

>  <CAS> (82)
694433-59-5

>  <URL> (82)
http://www.selleckchem.com/products/sb-505124.html

$$$$
MK-2461.cdx
csChFnd80/12262214282D

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871026-44-7

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http://www.selleckchem.com/products/tak-285.html

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HDAC 

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Free Base

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2438-72-4

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130641-38-2

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>  <Mol_ID> (88)
614

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Tyrphostin AG 879 (AG 879)

>  <Synonyms> (88)
N/A 

>  <Target> (88)
HER2

>  <Form> (88)
Free Base

>  <CAS> (88)
148741-30-4

>  <URL> (88)
http://www.selleckchem.com/products/tyrphostin-ag-879-ag-879.html

$$$$
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csChFnd80/12262214282D

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>  <Mol_ID> (89)
622

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C23H25ClN6O3

>  <MolWeight> (89)
468.936

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S2820

>  <Name> (89)
NVP-TAE226

>  <Synonyms> (89)
N/A 

>  <Target> (89)
FAK

>  <Form> (89)
Free Base

>  <CAS> (89)
761437-28-9

>  <URL> (89)
http://www.selleckchem.com/products/nvp-tae226.html

$$$$
E7080.cdx
csChFnd80/12262214282D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (90)
639

>  <Formula> (90)
C21H19ClN4O4

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426.85296

>  <Cat> (90)
S1164

>  <Name> (90)
E7080 (Lenvatinib)

>  <Synonyms> (90)
N/A

>  <Target> (90)
VEGFR

>  <Form> (90)
Free Base

>  <CAS> (90)
417716-92-8

>  <URL> (90)
http://www.selleckchem.com/products/E7080.html

$$$$
Dexamethasone acetate.cdx
csChFnd80/12262214282D

 33 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (91)
642

>  <Formula> (91)
C24H31FO6

>  <MolWeight> (91)
434.4977432

>  <Cat> (91)
S3124

>  <Name> (91)
Dexamethasone acetate

>  <Synonyms> (91)
N/A

>  <Target> (91)
IL Receptor,Autophagy

>  <Form> (91)
Free Base

>  <CAS> (91)
1177-87-3

>  <URL> (91)
http://www.selleckchem.com/products/dexamethasone-acetate.html

$$$$
Nadifloxacin.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (92)
648

>  <Formula> (92)
C19H21FN2O4

>  <MolWeight> (92)
360.3794432

>  <Cat> (92)
S3105

>  <Name> (92)
Nadifloxacin

>  <Synonyms> (92)
Nadixa 

>  <Target> (92)
Antifection

>  <Form> (92)
Free Base

>  <CAS> (92)
124858-35-1

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

$$$$
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csChFnd80/12262214282D

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652

>  <Formula> (93)
C20H20N4O

>  <MolWeight> (93)
332.399

>  <Cat> (93)
S2158

>  <Name> (93)
KW 2449

>  <Synonyms> (93)
N/A

>  <Target> (93)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (93)
Free Base

>  <CAS> (93)
1000669-72-6

>  <URL> (93)
http://www.selleckchem.com/products/KW-2449.html

$$$$
raf265.cdx
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>  <Mol_ID> (94)
654

>  <Formula> (94)
C24H16F6N6O

>  <MolWeight> (94)
518.4138592

>  <Cat> (94)
S2161

>  <Name> (94)
RAF265 (CHIR-265)

>  <Synonyms> (94)
N/A 

>  <Target> (94)
Raf, VEGFR

>  <Form> (94)
Free Base

>  <CAS> (94)
927880-90-8

>  <URL> (94)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

$$$$
Daphnetin.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (95)
656

>  <Formula> (95)
C9H6O4

>  <MolWeight> (95)
178.14154

>  <Cat> (95)
S2554

>  <Name> (95)
Daphnetin

>  <Synonyms> (95)
N/A 

>  <Target> (95)
DNA/RNA Synthesis

>  <Form> (95)
Free Base

>  <CAS> (95)
486-35-1

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

$$$$
AZD8931.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (96)
669

>  <Formula> (96)
C23H25ClFN5O3

>  <MolWeight> (96)
473.9277032

>  <Cat> (96)
S2192

>  <Name> (96)
AZD8931

>  <Synonyms> (96)
N/A

>  <Target> (96)
EGFR, HER2

>  <Form> (96)
Free Base

>  <CAS> (96)
848942-61-0

>  <URL> (96)
http://www.selleckchem.com/products/AZD8931.html

$$$$
R406.cdx
csChFnd80/12262214282D

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671

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C28H29FN6O8S

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S2194

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N/A

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Syk, Flt

>  <Form> (97)
Besylate

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841290-81-1

>  <URL> (97)
http://www.selleckchem.com/products/R406.html

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SGI 1776 free base.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (98)
673

>  <Formula> (98)
C20H22F3N5O

>  <MolWeight> (98)
405.4167896

>  <Cat> (98)
S2198

>  <Name> (98)
SGI-1776 free base

>  <Synonyms> (98)
N/A

>  <Target> (98)
Pim

>  <Form> (98)
Free Base

>  <CAS> (98)
1025065-69-3

>  <URL> (98)
http://www.selleckchem.com/products/SGI-1776.html

$$$$
BMS817378.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (99)
675

>  <Formula> (99)
C23H15ClF2N4O3

>  <MolWeight> (99)
468.8400064

>  <Cat> (99)
S2201

>  <Name> (99)
BMS 794833

>  <Synonyms> (99)
BMS794833

>  <Target> (99)
c-Met, VEGFR

>  <Form> (99)
Free Base

>  <CAS> (99)
1174046-72-0

>  <URL> (99)
http://www.selleckchem.com/products/BMS-794833.html

$$$$
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 23 24  1  0  0  0  0
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  2 26  1  0  0  0  0
 26 27  3  0  0  0  0
 22 28  1  0  0  0  0
M  END
>  <Mol_ID> (100)
677

>  <Formula> (100)
C21H22ClN3O4

>  <MolWeight> (100)
415.87008

>  <Cat> (100)
S2205

>  <Name> (100)
OSI-420 (Desmethyl Erlotinib)

>  <Synonyms> (100)
CP-473420 

>  <Target> (100)
EGFR

>  <Form> (100)
Hydrochloride

>  <CAS> (100)
183320-51-6

>  <URL> (100)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/12262214282D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
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 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
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 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
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 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
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 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (101)
687

>  <Formula> (101)
C22H18O11

>  <MolWeight> (101)
458.37172

>  <Cat> (101)
S2250

>  <Name> (101)
(-)-Epigallocatechin gallate

>  <Synonyms> (101)
EGCG

>  <Target> (101)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (101)
Free Base

>  <CAS> (101)
989-51-5

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

$$$$
Formononetin.cdx
csChFnd80/12262214282D

 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
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    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
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    4.8455    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
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 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> (102)
721

>  <Formula> (102)
C16H12O4

>  <MolWeight> (102)
268.26408

>  <Cat> (102)
S2299

>  <Name> (102)
Formononetin (Formononetol)

>  <Synonyms> (102)
Biochanin B, Formononetol 

>  <Target> (102)
Others

>  <Form> (102)
Free Base

>  <CAS> (102)
485-72-3

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

$$$$
Fumalic acid.cdx
csChFnd80/12262214282D

 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
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    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
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  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
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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (103)
722

>  <Formula> (103)
C10H10O4

>  <MolWeight> (103)
194.184

>  <Cat> (103)
S2300

>  <Name> (103)
Fumalic acid (Ferulic acid)

>  <Synonyms> (103)
Ferulic acid

>  <Target> (103)
Others

>  <Form> (103)
Free Base

>  <CAS> (103)
1135-24-6

>  <URL> (103)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

$$$$
Gramine.cdx
csChFnd80/12262214282D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    0.0000    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    5.2090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    1.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    1.3269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4857    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9832    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
  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  1  0  0  0  0
M  END
>  <Mol_ID> (104)
724

>  <Formula> (104)
C11H14N2

>  <MolWeight> (104)
174.24226

>  <Cat> (104)
S2304

>  <Name> (104)
Gramine

>  <Synonyms> (104)
N/A

>  <Target> (104)
Others

>  <Form> (104)
Free Base

>  <CAS> (104)
87-52-5

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

$$$$
Hesperetin.cdx
csChFnd80/12262214282D

 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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    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
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   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (105)
728

>  <Formula> (105)
C16H14O6

>  <MolWeight> (105)
302.27876

>  <Cat> (105)
S2308

>  <Name> (105)
Hesperetin

>  <Synonyms> (105)
N/A

>  <Target> (105)
Histamine Receptor

>  <Form> (105)
Free Base

>  <CAS> (105)
520-33-2

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

$$$$
Magnolol.cdx
csChFnd80/12262214282D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1854    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> (106)
739

>  <Formula> (106)
C18H18O2

>  <MolWeight> (106)
266.33432

>  <Cat> (106)
S2321

>  <Name> (106)
Magnolol

>  <Synonyms> (106)
2,2'-Bichavicol

>  <Target> (106)
NF-¦ÊB

>  <Form> (106)
Free Base

>  <CAS> (106)
528-43-8

>  <URL> (106)
http://www.selleckchem.com/products/Magnolol(2,2-Bichavicol).html

$$$$
Chrysophanic acid.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (107)
768

>  <Formula> (107)
C15H10O4

>  <MolWeight> (107)
254.2375

>  <Cat> (107)
S2406

>  <Name> (107)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (107)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (107)
EGFR, mTOR

>  <Form> (107)
Free Base

>  <CAS> (107)
481-74-3

>  <URL> (107)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Imatinib.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (108)
786

>  <Formula> (108)
C29H31N7O

>  <MolWeight> (108)
493.60274

>  <Cat> (108)
S2475

>  <Name> (108)
Imatinib (STI571) 

>  <Synonyms> (108)
STI571, Glivec

>  <Form> (108)
Free Base

>  <CAS> (108)
152459-95-5

>  <URL> (108)
http://www.selleckchem.com/products/Imatinib(STI571).html

$$$$
TG1012009.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (109)
793

>  <Formula> (109)
C26H35N7O2S

>  <MolWeight> (109)
509.6668

>  <Cat> (109)
S2692

>  <Name> (109)
TG101209

>  <Synonyms> (109)
N/A

>  <Target> (109)
Flt, JAK, c-RET

>  <Form> (109)
Free Base

>  <CAS> (109)
936091-14-4

>  <URL> (109)
http://www.selleckchem.com/products/tg101209.html

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/12262214282D

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Telatinib (BAY 57-9352)

>  <Synonyms> (110)
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VEGFR, PDGFR, c-Kit

>  <Form> (110)
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332012-40-5

>  <URL> (110)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

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PP-121

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N/A

>  <Target> (111)
DNA-PK, mTOR, PDGF

>  <Form> (111)
Free Base

>  <CAS> (111)
1092788-83-4

>  <URL> (111)
http://www.selleckchem.com/products/PP121.html

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>  <Target> (112)
PKC

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Free Base

>  <CAS> (112)
1009820-21-6

>  <URL> (112)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

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>  <Target> (113)
TGF-beta/Smad

>  <Form> (113)
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>  <CAS> (113)
700874-72-2

>  <URL> (113)
http://www.selleckchem.com/products/ly2157299.html

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Syk

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>  <CAS> (114)
901119-35-5

>  <URL> (114)
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$$$$
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1001350-96-4

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>  <URL> (117)
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M  END
>  <Mol_ID> (122)
940

>  <Formula> (122)
C24H25ClFN5O2

>  <MolWeight> (122)
469.9390032

>  <Cat> (122)
S2727

>  <Name> (122)
Dacomitinib (PF299804, PF-00299804)

>  <Synonyms> (122)
N/A

>  <Target> (122)
EGFR

>  <Form> (122)
Free Base

>  <CAS> (122)
1110813-31-4

>  <URL> (122)
http://www.selleckchem.com/products/pf299804.html

$$$$
CP868569.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (123)
946

>  <Formula> (123)
C26H29N5O2

>  <MolWeight> (123)
443.54076

>  <Cat> (123)
S2730

>  <Name> (123)
Crenolanib (CP-868596)

>  <Synonyms> (123)
N/A 

>  <Target> (123)
PDGFR

>  <Form> (123)
Free Base

>  <CAS> (123)
670220-88-9

>  <URL> (123)
http://www.selleckchem.com/products/crenolanib-cp-868596.html

$$$$
AG-1478.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (124)
953

>  <Formula> (124)
C16H14ClN3O2

>  <MolWeight> (124)
315.75426

>  <Cat> (124)
S2728

>  <Name> (124)
AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (124)
Tyrphostin AG-1478

>  <Target> (124)
EGFR

>  <Form> (124)
Free Base

>  <CAS> (124)
153436-53-4

>  <URL> (124)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
Butoconazole nitrate.cdx
csChFnd80/12262214282D

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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (125)
973

>  <Formula> (125)
C19H18Cl3N3O3S

>  <MolWeight> (125)
474.78852

>  <Cat> (125)
S1833

>  <Name> (125)
Butoconazole nitrate

>  <Synonyms> (125)
N/A

>  <Target> (125)
Antifection

>  <Form> (125)
Nitrate

>  <CAS> (125)
64872-77-1

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

$$$$
CP 673451.cdx
csChFnd80/12262214282D

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343787-29-1

>  <URL> (126)
http://www.selleckchem.com/products/CP-673451.html

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>  <Mol_ID> (127)
1057

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C22H19ClN6O2S

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>  <Target> (127)
EGFR

>  <Form> (127)
Free Base

>  <CAS> (127)
845272-21-1

>  <URL> (127)
http://www.selleckchem.com/products/arry334543.html

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>  <Mol_ID> (128)
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VEGFR

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194413-58-6

>  <URL> (128)
http://www.selleckchem.com/products/semaxanib-su5416.html

$$$$
SAR131675.cdx
csChFnd80/12262214282D

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VEGFR

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Free Base

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N/A

>  <URL> (129)
http://www.selleckchem.com/products/sar131675.html

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Golvatinib (E7050) 

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E7050

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c-Met, VEGFR

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>  <CAS> (130)
928037-13-2

>  <URL> (130)
http://www.selleckchem.com/products/golvatinib-e7050.html

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csChFnd80/12262214282D

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WHI-P154

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JAK, EGFR

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Free Base

>  <CAS> (131)
211555-04-3

>  <URL> (131)
http://www.selleckchem.com/products/whi-p154.html

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1120

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C12H11NO

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S2907

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Pirfenidone

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N/A

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TGF-beta/Smad

>  <Form> (132)
Free Base

>  <CAS> (132)
53179-13-8

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

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GW 441756.cdx
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GW 441756

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N/A

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Others

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Free Base

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504433-23-2

>  <URL> (133)
http://www.selleckchem.com/products/gw-441756.html

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>  <Formula> (134)
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>  <MolWeight> (134)
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EGFR

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>  <CAS> (134)
10537-47-0

>  <URL> (134)
http://www.selleckchem.com/products/tyrphostin-9-sf-6847.html

$$$$
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N/A

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VEGFR

>  <Form> (140)
Free Base

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444731-52-6

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

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C10H9NO2S

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BAY 11-7082 (BAY 11-7821)

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N/A

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I¦ÊB/IKK

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Free Base

>  <CAS> (141)
19542-67-7

>  <URL> (141)
http://www.selleckchem.com/products/bay-11-7082-bay-11-7821.html

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>  <Mol_ID> (142)
1238

>  <Formula> (142)
C18H13F3N4O2

>  <MolWeight> (142)
374.3166296

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S2899

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GNF-2

>  <Synonyms> (142)
N/A

>  <Target> (142)
Bcr-Abl

>  <Form> (142)
Free Base

>  <CAS> (142)
778270-11-4

>  <URL> (142)
http://www.selleckchem.com/products/gnf-2.html

$$$$
OSI-906.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (143)
1248

>  <Formula> (143)
C26H23N5O

>  <MolWeight> (143)
421.49372

>  <Cat> (143)
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OSI-906 (Linsitinib)

>  <Synonyms> (143)
N/A

>  <Target> (143)
IGF-1R

>  <Form> (143)
Free Base

>  <CAS> (143)
867160-71-2

>  <URL> (143)
http://www.selleckchem.com/products/OSI-906.html

$$$$
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>  <Mol_ID> (144)
1252

>  <Formula> (144)
C32H30FN3O10

>  <MolWeight> (144)
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>  <Cat> (144)
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>  <Name> (144)
Cabozantinib malate

>  <Synonyms> (144)
N/A

>  <Target> (144)
VEGFR

>  <Form> (144)
Malate

>  <CAS> (144)
1140909-48-3

>  <URL> (144)
http://www.selleckchem.com/products/cabozantinib-malate.html

$$$$
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>  <Mol_ID> (145)
1269

>  <Formula> (145)
C42H38O20

>  <MolWeight> (145)
862.73912

>  <Cat> (145)
S4018

>  <Name> (145)
Sennoside B

>  <Synonyms> (145)
N/A

>  <Target> (145)
Others

>  <Form> (145)
Free Base

>  <CAS> (145)
128-57-4

>  <URL> (145)
http://www.selleckchem.com/products/sennoside-b.html

$$$$
QNZ.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (146)
1274

>  <Formula> (146)
C22H20N4O

>  <MolWeight> (146)
356.4204

>  <Cat> (146)
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>  <Name> (146)
QNZ (EVP4593)

>  <Synonyms> (146)
N/A

>  <Target> (146)
NF-¦ÊB

>  <Form> (146)
Free Base

>  <CAS> (146)
545380-34-5

>  <URL> (146)
http://www.selleckchem.com/products/qnz-evp4593.html

$$$$
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M  END
>  <Mol_ID> (147)
1375

>  <Formula> (147)
C37H38N2O6

>  <MolWeight> (147)
606.70742

>  <Cat> (147)
S4238

>  <Name> (147)
Cepharanthine

>  <Synonyms> (147)
N/A

>  <Target> (147)
TNF-alpha

>  <Form> (147)
Free Base

>  <CAS> (147)
481-49-2

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

$$$$
Aloe-emodin.cdx
csChFnd80/12262214282D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (148)
1446

>  <Formula> (148)
C15H10O5

>  <MolWeight> (148)
270.2369

>  <Cat> (148)
S2259

>  <Name> (148)
Aloe-emodin

>  <Synonyms> (148)
N/A

>  <Target> (148)
Antifection

>  <Form> (148)
Free Base

>  <CAS> (148)
481-72-1

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

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/12262214282D

 22 24  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> (149)
1467

>  <Formula> (149)
C15H12O7

>  <MolWeight> (149)
304.25158

>  <Cat> (149)
S2366

>  <Name> (149)
Taxifolin (Dihydroquercetin)

>  <Synonyms> (149)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (149)
VEGFR

>  <Form> (149)
Free Base

>  <CAS> (149)
480-18-2

>  <URL> (149)
http://www.selleckchem.com/products/Taxifolin(Dihydroquercetin).html

$$$$
Diacerein.cdx
csChFnd80/12262214282D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (150)
1472

>  <Formula> (150)
C19H12O8

>  <MolWeight> (150)
368.29378

>  <Cat> (150)
S4267

>  <Name> (150)
Diacerein

>  <Synonyms> (150)
N/A

>  <Target> (150)
IL Receptor

>  <Form> (150)
Free Base

>  <CAS> (150)
13739-02-1

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

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/12262214282D

 34 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (151)
1514

>  <Formula> (151)
C24H25ClFN5O3

>  <MolWeight> (151)
485.9384032

>  <Cat> (151)
S1011

>  <Name> (151)
Afatinib (BIBW2992)

>  <Synonyms> (151)
N/A

>  <Target> (151)
EGFR

>  <Form> (151)
Free Base

>  <CAS> (151)
439081-18-2

>  <URL> (151)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/12262214282D

 38 40  0  0  0  0  0  0  0  0999 V2000
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ENMD-2076 L-(+)-Tartaric acid

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N/A

>  <Target> (152)
FLT3

>  <Form> (152)
Free Base

>  <CAS> (152)
1291074-87-7

>  <URL> (152)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
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csChFnd80/12262214282D

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>  <Formula> (153)
C21H22Cl2FN5O

>  <MolWeight> (153)
450.3366832

>  <Cat> (153)
S1068

>  <Name> (153)
Crizotinib (PF-02341066)

>  <Synonyms> (153)
N/A 

>  <Target> (153)
c-Met, ALK

>  <Form> (153)
Free Base

>  <CAS> (153)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (153)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
BMS-599626 (AC480).cdx
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1545

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C27H27FN8O3

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S1056

>  <Name> (154)
AC480 (BMS-599626)

>  <Synonyms> (154)
N/A

>  <Target> (154)
HER2

>  <Form> (154)
Free Base

>  <CAS> (154)
714971-09-2

>  <URL> (154)
http://www.selleckchem.com/products/BMS-599626.html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (155)
1670

>  <Formula> (155)
C14H23ClN2O

>  <MolWeight> (155)
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>  <Cat> (155)
S4667

>  <Name> (155)
Lidocaine hydrochloride

>  <Synonyms> (155)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (155)
Others

>  <Form> (155)
hydrochloride

>  <CAS> (155)
73-78-9

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

$$$$
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csChFnd80/12262214282D

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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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
  2 15  1  0  0  0  0
  4  3  1  0  0  0  0
  1  2  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (156)
1706

>  <Formula> (156)
C10H15N5

>  <MolWeight> (156)
205.2596

>  <Cat> (156)
S4736

>  <Name> (156)
Trapidil

>  <Synonyms> (156)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (156)
PDGFR

>  <Form> (156)
Free Base

>  <CAS> (156)
15421-84-8

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

$$$$
S4738 Arctiin.cdx
csChFnd80/12262214282D

 38 41  0  0  0  0  0  0  0  0999 V2000
   12.3073    2.2629    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9626    2.1715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0073    3.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8925    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0442    3.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6579    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4093    3.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9194    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6660    2.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3789    0.1613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1157    4.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1061    2.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7709    4.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1936    1.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5195    4.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5160    2.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8258    1.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2222    3.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2195    5.8924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9356    2.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4983    4.8642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6222    3.4634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6196    5.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569    2.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9713    6.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3227    2.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6567    3.3226    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1202    4.6398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2791    3.0942    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2153    5.7494    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3775    4.1851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7887    1.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8377    5.5210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7100    7.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340    6.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7916    8.1157    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  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  6  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 21  2  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 26  1  0  0  0  0
 23 27  1  0  0  0  0
 28 25  1  1  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  6  0  0  0
 31 34  1  0  0  0  0
 31 35  1  1  0  0  0
 32 36  1  1  0  0  0
 32 34  1  0  0  0  0
 34 37  1  6  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (157)
1710

>  <Formula> (157)
C27H34O11

>  <MolWeight> (157)
534.55226

>  <Cat> (157)
S4738

>  <Name> (157)
Arctiin

>  <Synonyms> (157)
Arctigenin-4-Glucoside, NSC 315527

>  <Target> (157)
Others

>  <Form> (157)
Free Base

>  <CAS> (157)
20362-31-6

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

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/12262214282D

 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
    7.2745    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    7.2745    2.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9906    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
  5  2  1  1  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  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (158)
1729

>  <Formula> (158)
C18H16O8

>  <MolWeight> (158)
360.31484

>  <Cat> (158)
S3612

>  <Name> (158)
Rosmarinic acid

>  <Synonyms> (158)
Rosemary acid

>  <Target> (158)
IKK ¦Â

>  <Form> (158)
free base

>  <CAS> (158)
20283-92-5

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

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/12262214282D

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.1810    2.1435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019    0.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    2.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.0618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0256    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488    4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    4.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (159)
1744

>  <Formula> (159)
C5H12N2S2

>  <MolWeight> (159)
164.29218

>  <Cat> (159)
S3633

>  <Name> (159)
Pyrrolidinedithiocarbamate ammonium

>  <Synonyms> (159)
APDC, PDTC

>  <Target> (159)
NF-¦ÊB

>  <Form> (159)
ammonium salt

>  <CAS> (159)
5108-96-3

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

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/12262214282D

 65 69  0  0  0  0  0  0  0  0999 V2000
   13.3576    6.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    4.8745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3576    5.5532    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7147    4.8745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8573    4.8745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4287    3.4637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8752    9.1247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9289    5.5710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0894    6.9818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8573    3.4637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8573    7.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    2.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    7.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9289    6.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    5.5888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4287    4.8745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.7147    3.4637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5720    7.6783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3216    9.0890    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0894    5.5532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7863    9.8032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5720    9.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7863    6.9818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2143    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6607    9.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    2.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2860    3.4637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1434    3.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2328   11.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5720    4.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0007    9.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0007    7.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6787   11.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0720   12.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2143    5.5888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    6.9996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1074   11.2142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5361    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7147    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3576    4.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8398   11.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9110    1.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9647    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3756   11.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7863    8.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9289    4.1959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542    6.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860    2.1422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9466    5.8568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7147    2.1066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8607    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
 13  1  2  0  0  0  0
 20  1  1  0  0  0  0
  2  3  1  0  0  0  0
 31  2  1  0  0  0  0
  2 49  1  1  0  0  0
  8  2  1  0  0  0  0
 34  3  1  0  0  0  0
  3 51  1  6  0  0  0
  4  8  1  0  0  0  0
 19  4  1  0  0  0  0
 33  4  1  0  0  0  0
  4 50  1  1  0  0  0
  5 10  1  0  0  0  0
 16  5  1  0  0  0  0
  5 22  1  1  0  0  0
  6 12  1  0  0  0  0
 17  6  1  0  0  0  0
  6 27  1  6  0  0  0
  7 11  1  0  0  0  0
  7 28  1  6  0  0  0
 18  7  1  0  0  0  0
  8 15  1  0  0  0  0
  8 59  1  6  0  0  0
  9 22  1  0  0  0  0
 11  9  1  0  0  0  0
 14  9  1  0  0  0  0
  9 62  1  1  0  0  0
 10 29  1  0  0  0  0
 12 10  1  0  0  0  0
 10 61  1  6  0  0  0
 15 13  1  0  0  0  0
 21 14  1  0  0  0  0
 14 44  1  1  0  0  0
 36 15  2  0  0  0  0
 16 46  1  6  0  0  0
 16 17  1  0  0  0  0
 17 45  1  1  0  0  0
 18 21  1  0  0  0  0
 18 47  1  1  0  0  0
 23 19  1  0  0  0  0
 19 63  1  6  0  0  0
 19 35  1  0  0  0  0
 25 20  1  0  0  0  0
 26 20  1  0  0  0  0
 20 60  1  6  0  0  0
 21 48  1  6  0  0  0
 55 23  1  0  0  0  0
 56 23  1  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  1  0  0  0
 24 57  1  6  0  0  0
 39 24  1  0  0  0  0
 37 26  1  0  0  0  0
 40 26  1  0  0  0  0
 26 58  1  1  0  0  0
 42 27  2  0  0  0  0
 52 27  1  0  0  0  0
 41 28  2  0  0  0  0
 53 28  1  0  0  0  0
 30 29  1  1  0  0  0
 30 38  1  0  0  0  0
 35 31  1  0  0  0  0
 43 32  2  0  0  0  0
 54 32  1  0  0  0  0
 38 33  1  0  0  0  0
 37 34  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (160)
1745

>  <Formula> (160)
C42H68N2O16

>  <MolWeight> (160)
856.99312

>  <Cat> (160)
S3622

>  <Name> (160)
Diammonium Glycyrrhizinate

>  <Synonyms> (160)
N/A

>  <Target> (160)
Others

>  <Form> (160)
ammonium salt 

>  <CAS> (160)
79165-06-3

>  <URL> (160)
http://www.selleckchem.com/products/diammonium-glycyrrhizinate.html

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/12262214282D

 30 27  0  0  0  0  0  0  0  0999 V2000
    2.4236    2.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    0.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    4.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    4.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    0.0743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    0.0749    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8548    4.9732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    4.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0638    4.2752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    4.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    6.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4922    4.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4998    7.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6974    4.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7264    6.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    7.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500    6.3570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    8.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3566    7.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5727    6.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7840    7.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7840    8.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9977    6.3502    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1752   11.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752   11.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   18.3855    6.3438    0.0000 Na  0  3  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
  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 11  1  0  0  0  0
 10 12  2  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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (161)
1816

>  <Formula> (161)
C17H17N3Na2O8

>  <MolWeight> (161)
437.31172

>  <Cat> (161)
S3745

>  <Name> (161)
Balsalazide disodium

>  <Synonyms> (161)
N/A

>  <Target> (161)
Immunology & Inflammation related

>  <Form> (161)
disodium salt dihydrate

>  <CAS> (161)
150399-21-6

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

$$$$
S3741 Benznidazole.cdx
csChFnd80/12262214282D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.9726    1.7626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    2.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830    0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850    2.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8043    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621    3.6202    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.5043    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3804    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    4.6102    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6010    2.4772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3804    0.3820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8093    1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0238    2.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0238    3.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2352    1.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2357    4.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4482    2.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4479    3.8819    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
  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  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 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
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (162)
1840

>  <Formula> (162)
C12H12N4O3

>  <MolWeight> (162)
260.24868

>  <Cat> (162)
S3741

>  <Name> (162)
Benznidazole

>  <Synonyms> (162)
Radanil

>  <Target> (162)
Antifection

>  <Form> (162)
free base

>  <CAS> (162)
22994-85-0

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

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/12262214282D

 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> (163)
1858

>  <Formula> (163)
C18H22O4

>  <MolWeight> (163)
302.36488

>  <Cat> (163)
S3984

>  <Name> (163)
Nordihydroguaiaretic acid

>  <Synonyms> (163)
N/A

>  <Target> (163)
lipoxygenase

>  <Form> (163)
free base

>  <CAS> (163)
500-38-9

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

$$$$
S3822 Schisandrin A.cdx
csChFnd80/12262214282D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.9215    5.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9186    6.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5700    4.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9134    4.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655    6.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9063    7.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2105    3.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5779    5.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5540    2.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3134    4.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2002    8.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    6.4413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5412    8.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3063    7.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024    2.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590    2.9636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2263    5.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3013    5.0541    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1881    9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8473    8.5174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2984    6.4541    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8430    0.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4993    1.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8230   10.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4820    9.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8351    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8107   11.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5907    6.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5959    4.5210    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
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 15  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 19  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 18 22  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
 22 29  1  6  0  0  0
 18 30  1  6  0  0  0
M  END
>  <Mol_ID> (164)
1869

>  <Formula> (164)
C24H32O6

>  <MolWeight> (164)
416.50728

>  <Cat> (164)
S3822

>  <Name> (164)
Schisandrin A

>  <Synonyms> (164)
Deoxyschizandrin, Wuweizisu A

>  <Target> (164)
AdipoR2

>  <Form> (164)
free base

>  <CAS> (164)
61281-38-7

>  <URL> (164)
http://www.selleckchem.com/products/schisandrin-a.html

$$$$
S3827 Royal jelly acid.cdx
csChFnd80/12262214282D

 13 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    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> (165)
1874

>  <Formula> (165)
C10H18O3

>  <MolWeight> (165)
186.24812

>  <Cat> (165)
S3827

>  <Name> (165)
Royal jelly acid

>  <Synonyms> (165)
10-Hydroxy-trans-2-decenoic acid, 10H2DA|

>  <Target> (165)
Others

>  <Form> (165)
free base

>  <CAS> (165)
14113-05-4

>  <URL> (165)
http://www.selleckchem.com/products/royal-jelly-acid.html

$$$$
S3759 Norcantharidin.cdx
csChFnd80/12262214282D

 12 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (166)
1895

>  <Formula> (166)
C8H8O4

>  <MolWeight> (166)
168.14672

>  <Cat> (166)
S3759

>  <Name> (166)
Norcantharidin

>  <Synonyms> (166)
Endothall anhydride

>  <Target> (166)
c-Met,EGFR

>  <Form> (166)
free base

>  <CAS> (166)
29745-04-8

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

$$$$
S3931 Ginsenoside Rd.cdx
csChFnd80/12262214282D

 69 75  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (167)
1965

>  <Formula> (167)
C48H82O18

>  <MolWeight> (167)
947.15388

>  <Cat> (167)
S3931

>  <Name> (167)
Ginsenoside Rd

>  <Synonyms> (167)
Panaxoside Rd, Sanchinoside Rd

>  <Target> (167)
Others

>  <Form> (167)
free base

>  <CAS> (167)
52705-93-8

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

$$$$
LY2109761.cdx
csChFnd80/12262214282D

 33 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (168)
1974

>  <Formula> (168)
C26H27N5O2

>  <MolWeight> (168)
441.52488

>  <Cat> (168)
S2704

>  <Name> (168)
LY2109761

>  <Synonyms> (168)
N/A

>  <Target> (168)
TGF-beta/Smad

>  <Form> (168)
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>  <CAS> (168)
700874-71-1 

>  <URL> (168)
http://www.selleckchem.com/products/ly2109761.html

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>  <Name> (169)
Capmatinib (INCB28060)

>  <Synonyms> (169)
N/A

>  <Target> (169)
c-Met 

>  <Form> (169)
Free Base

>  <CAS> (169)
1029712-80-8

>  <URL> (169)
http://www.selleckchem.com/products/incb28060.html

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>  <Mol_ID> (170)
1976

>  <Formula> (170)
C28H62Cl8N8

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>  <Cat> (170)
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>  <Name> (170)
Plerixafor 8HCl (DB06809)

>  <Synonyms> (170)
AMD3100 

>  <Target> (170)
CXCR

>  <Form> (170)
Octahydrochloride 

>  <CAS> (170)
155148-31-5

>  <URL> (170)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

$$$$
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>  <Target> (171)
TGF-beta/Smad

>  <Form> (171)
Free Base

>  <CAS> (171)
396129-53-6

>  <URL> (171)
http://www.selleckchem.com/products/ly364947.html

$$$$
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EGFR

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>  <CAS> (172)
194423-15-9

>  <URL> (172)
https://www.selleckchem.com/products/pd168393.html

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M  END
>  <Mol_ID> (173)
1994

>  <Formula> (173)
C19H24ClN9O

>  <MolWeight> (173)
429.90656

>  <Cat> (173)
S8032

>  <Name> (173)
PRT062607 (P505-15, PRT2607, BIIB057) HCl

>  <Synonyms> (173)
N/A

>  <Target> (173)
Syk

>  <Form> (173)
Hydrochloride

>  <CAS> (173)
1370261-97-4,1370261-96-3(free base)

>  <URL> (173)
https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

$$$$
LDK378.cdx
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>  <Mol_ID> (174)
2005

>  <Formula> (174)
C28H36ClN5O3S

>  <MolWeight> (174)
558.13514

>  <Cat> (174)
S7083

>  <Name> (174)
Ceritinib (LDK378)

>  <Synonyms> (174)
N/A

>  <Target> (174)
ALK

>  <Form> (174)
Free Base

>  <CAS> (174)
1032900-25-6

>  <URL> (174)
http://www.selleckchem.com/products/ldk378.html

$$$$
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M  END
>  <Mol_ID> (175)
2017

>  <Formula> (175)
C26H27F4N7O2

>  <MolWeight> (175)
545.5318928

>  <Cat> (175)
S7206

>  <Name> (175)
CNX-2006

>  <Synonyms> (175)
N/A

>  <Target> (175)
EGFR

>  <Form> (175)
Free Base

>  <CAS> (175)
1375465-09-0

>  <URL> (175)
http://www.selleckchem.com/products/cnx-2006.html

$$$$
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M  END
>  <Mol_ID> (176)
2022

>  <Formula> (176)
C24H25ClN6O

>  <MolWeight> (176)
448.9479

>  <Cat> (176)
S7106

>  <Name> (176)
AZD3463

>  <Synonyms> (176)
N/A

>  <Target> (176)
ALK

>  <Form> (176)
Free Base

>  <CAS> (176)
1356962-20-3

>  <URL> (176)
http://www.selleckchem.com/products/azd3463.html

$$$$
S3924 Ginsenoside Rb1.cdx
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>  <Mol_ID> (177)
2034

>  <Formula> (177)
C54H92O23

>  <MolWeight> (177)
1109.29448

>  <Cat> (177)
S3924

>  <Name> (177)
Ginsenoside Rb1

>  <Synonyms> (177)
Gypenoside ¢ó

>  <Target> (177)
Others

>  <Form> (177)
free base

>  <CAS> (177)
41753-43-9

>  <URL> (177)
http://www.selleckchem.com/products/ginsenoside-rb1.html

$$$$
S4763 4-Hydroxychalcone.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (178)
2098

>  <Formula> (178)
C15H12O2

>  <MolWeight> (178)
224.25458

>  <Cat> (178)
S4763

>  <Name> (178)
4-Hydroxychalcone

>  <Synonyms> (178)
P-Cinnamoylphenol

>  <Target> (178)
Others

>  <Form> (178)
free base

>  <CAS> (178)
20426-12-4

>  <URL> (178)
http://www.selleckchem.com/products/4-hydroxychalcone.html

$$$$
S3951 Tannic acid.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (179)
2106

>  <Formula> (179)
C76H52O46

>  <MolWeight> (179)
1701.19848

>  <Cat> (179)
S3951

>  <Name> (179)
Tannic acid

>  <Synonyms> (179)
Gallotannic acid

>  <Target> (179)
CXCR4 

>  <Form> (179)
free base

>  <CAS> (179)
1401-55-4

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

$$$$
S4966 4-Methylesculetin.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (180)
2221

>  <Formula> (180)
C10H8O4

>  <MolWeight> (180)
192.16812

>  <Cat> (180)
S4966

>  <Name> (180)
4-Methylesculetin

>  <Synonyms> (180)
N/A

>  <Target> (180)
Immunology & Inflammation related

>  <Form> (180)
free base

>  <CAS> (180)
529-84-0

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

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/12262214282D

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 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (181)
2230

>  <Formula> (181)
C25H36Cl2N2O3

>  <MolWeight> (181)
483.47094

>  <Cat> (181)
S5020

>  <Name> (181)
Tilorone dihydrochloride

>  <Synonyms> (181)
N/A

>  <Target> (181)
Anti-infection

>  <Form> (181)
dihydrochloride 

>  <CAS> (181)
27591-69-1

>  <URL> (181)
http://selleckchem.com/products/tilorone-dihydrochloride.html

$$$$
S4937 4'-Hydroxychalcone.cdx
csChFnd80/12262214282D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (182)
2233

>  <Formula> (182)
C15H12O2

>  <MolWeight> (182)
224.25458

>  <Cat> (182)
S4937

>  <Name> (182)
4'-Hydroxychalcone

>  <Synonyms> (182)
P-Cinnamoylphenol

>  <Target> (182)
Others

>  <Form> (182)
free base

>  <CAS> (182)
2657-25-2

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

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (183)
2241

>  <Formula> (183)
C47H80O18

>  <MolWeight> (183)
933.1273

>  <Cat> (183)
S3785

>  <Name> (183)
Notoginsenoside R1

>  <Synonyms> (183)
Sanchinoside R1

>  <Target> (183)
Others

>  <Form> (183)
free base

>  <CAS> (183)
80418-24-2

>  <URL> (183)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
S3969 Veratric acid.cdx
csChFnd80/12262214282D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (184)
2244

>  <Formula> (184)
C9H10O4

>  <MolWeight> (184)
182.1733

>  <Cat> (184)
S3969

>  <Name> (184)
Veratric acid

>  <Synonyms> (184)
3,4-Dimethoxybenzoic acid

>  <Target> (184)
Immunology & Inflammation related

>  <Form> (184)
free base

>  <CAS> (184)
34152

>  <URL> (184)
http://selleckchem.com/products/veratric-acid.html

$$$$
SNS-314 Mesylate.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (185)
2255

>  <Formula> (185)
C19H19ClN6O4S3

>  <MolWeight> (185)
527.03996

>  <Cat> (185)
S1154

>  <Name> (185)
SNS-314 Mesylate

>  <Synonyms> (185)
N/A

>  <Target> (185)
Aurora Kinase

>  <Form> (185)
Mesylate

>  <CAS> (185)
1146618-41-8

>  <URL> (185)
http://www.selleckchem.com/products/SNS-314.html

$$$$
untitled.cdx
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>  <Mol_ID> (186)
2260

>  <Formula> (186)
C24H25ClFN5O3

>  <MolWeight> (186)
485.9384032

>  <Cat> (186)
S1019

>  <Name> (186)
CI-1033 (Canertinib)

>  <Synonyms> (186)
PD-183805 

>  <Target> (186)
EGFR, HER2

>  <Form> (186)
Free Base

>  <CAS> (186)
267243-28-7

>  <URL> (186)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (187)
2262

>  <Formula> (187)
C31H42N6O4

>  <MolWeight> (187)
562.70298

>  <Cat> (187)
S1043

>  <Name> (187)
Tandutinib (MLN518)

>  <Synonyms> (187)
CT53518

>  <Target> (187)
Flt

>  <Form> (187)
Free Base

>  <CAS> (187)
387867-13-2

>  <URL> (187)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

$$$$
untitled.cdx
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>  <Mol_ID> (188)
2263

>  <Formula> (188)
C22H24BrFN4O2

>  <MolWeight> (188)
475.3539632

>  <Cat> (188)
S1046

>  <Name> (188)
Vandetanib (ZD6474)

>  <Synonyms> (188)
N/A

>  <Target> (188)
VEGFR

>  <Form> (188)
Free Base

>  <CAS> (188)
443913-73-3

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

$$$$
PQ 401.cdx
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1188910-76-0

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http://www.selleckchem.com/products/cep-32496.html

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

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4311-88-0

>  <URL> (196)
http://www.selleckchem.com/products/necrostatin-1.html

$$$$
GW2580.cdx
csChFnd80/12262214282D

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CSF-1R

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>  <CAS> (197)
870483-87-7

>  <URL> (197)
http://www.selleckchem.com/products/gw2580.html

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csChFnd80/12262214282D

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Butein

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EGFR

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487-52-5

>  <URL> (198)
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>  <Mol_ID> (199)
2343

>  <Formula> (199)
C30H40ClN7O3S

>  <MolWeight> (199)
614.2017

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S1108

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TAE684 (NVP-TAE684)

>  <Synonyms> (199)
N/A 

>  <Target> (199)
ALK 

>  <Form> (199)
Free Base

>  <CAS> (199)
761439-42-3

>  <URL> (199)
http://www.selleckchem.com/products/NVP-TAE684.html

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csChFnd80/12262214282D

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>  <Mol_ID> (200)
2345

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C18H13N7S

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359.40772

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S1112

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SGX-523

>  <Synonyms> (200)
N/A

>  <Target> (200)
c-Met 

>  <Form> (200)
Free Base

>  <CAS> (200)
1022150-57-7

>  <URL> (200)
http://www.selleckchem.com/products/SGX-523.html

$$$$
s1023.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (201)
2347

>  <Formula> (201)
C22H24ClN3O4

>  <MolWeight> (201)
429.89666

>  <Cat> (201)
S1023

>  <Name> (201)
Erlotinib(OSI-744)

>  <Synonyms> (201)
(CP358774, NSC 718781) HCl

>  <Target> (201)
EGFR

>  <Form> (201)
Hydrochloride

>  <CAS> (201)
183319-69-9

>  <URL> (201)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

$$$$
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>  <Formula> (202)
C30H29ClN6O3

>  <MolWeight> (202)
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>  <Cat> (202)
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>  <Name> (202)
Neratinib (HKI-272)

>  <Synonyms> (202)
N/A 

>  <Target> (202)
HER2, EGFR

>  <Form> (202)
Free Base

>  <CAS> (202)
698387-09-6

>  <URL> (202)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

$$$$
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>  <Mol_ID> (203)
2403

>  <Formula> (203)
C23H24FN6Na2O9P

>  <MolWeight> (203)
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>  <Cat> (203)
S2206

>  <Name> (203)
R935788 (Fostamatinib disodium)

>  <Synonyms> (203)
N/A 

>  <Target> (203)
Syk

>  <Form> (203)
Sodium Salt

>  <CAS> (203)
1025687-58-4

>  <URL> (203)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

$$$$
AZ5104.cdx
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AZ5104

>  <Synonyms> (204)
N/A

>  <Target> (204)
EGFR

>  <Form> (204)
Free Base

>  <CAS> (204)
1421373-98-9

>  <URL> (204)
http://www.selleckchem.com/products/az5104.html

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c-Met

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Free Base

>  <CAS> (205)
1221713-92-3

>  <URL> (205)
http://www.selleckchem.com/products/nps-1034.html

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Dexamethasone Sodium Phosphate

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N/A

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IL Receptor

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Disodium salt

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55203-24-2

>  <URL> (206)
http://www.selleckchem.com/products/dexamethasone-sodium-phosphate.html

$$$$
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N/A

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FGFR

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Free Base

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1538604-68-0

>  <URL> (207)
http://www.selleckchem.com/products/blu9931.html

$$$$
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TP-0903

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N/A

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TAM Receptor

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Free Base

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1341200-45-0

>  <URL> (208)
http://www.selleckchem.com/products/tp-0903.html

$$$$
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>  <Mol_ID> (209)
2492

>  <Formula> (209)
C28H32O6

>  <MolWeight> (209)
464.55008

>  <Cat> (209)
S7259

>  <Name> (209)
FLLL32

>  <Synonyms> (209)
N/A

>  <Target> (209)
JAK

>  <Form> (209)
Free Base

>  <CAS> (209)
1226895-15-3

>  <URL> (209)
http://www.selleckchem.com/products/flll32.html

$$$$
Vidofludimus .cdx
csChFnd80/12262214282D

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>  <Mol_ID> (210)
2503

>  <Formula> (210)
C20H18FNO4

>  <MolWeight> (210)
355.3596232

>  <Cat> (210)
S7262

>  <Name> (210)
Vidofludimus

>  <Synonyms> (210)
SC12267, 4SC-101

>  <Target> (210)
Dehydrogenase

>  <Form> (210)
Free Base

>  <CAS> (210)
717824-30-1

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

$$$$
Tiplaxtinin(PAI-039).cdx
csChFnd80/12262214282D

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>  <Mol_ID> (211)
2506

>  <Formula> (211)
C24H16F3NO4

>  <MolWeight> (211)
439.3833496

>  <Cat> (211)
S7922

>  <Name> (211)
Tiplaxtinin (PAI-039)

>  <Synonyms> (211)
N/A

>  <Target> (211)
Others

>  <Form> (211)
Free Base

>  <CAS> (211)
393105-53-8

>  <URL> (211)
http://www.selleckchem.com/products/tiplaxtinin-pai-039.html

$$$$

csChFnd80/12262214282D

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>  <Mol_ID> (212)
2514

>  <Formula> (212)
C17H16N2O3

>  <MolWeight> (212)
296.32054

>  <Cat> (212)
S7667

>  <Name> (212)
SU5402

>  <Synonyms> (212)
N/A

>  <Target> (212)
VEGFR

>  <Form> (212)
Free Base

>  <CAS> (212)
215543-92-3

>  <URL> (212)
http://www.selleckchem.com/products/su5402.html

$$$$
UNC2025.cdx
csChFnd80/12262214282D

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2516

>  <Formula> (213)
C28H41ClN6O

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S7576

>  <Name> (213)
UNC-2025

>  <Synonyms> (213)
N/A

>  <Target> (213)
TAM Receptor

>  <Form> (213)
hydrochloride salt

>  <CAS> (213)
1429881-91-3

>  <URL> (213)
http://www.selleckchem.com/products/unc-2025.html

$$$$
ONC201.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (214)
2518

>  <Formula> (214)
C24H26N4O

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386.48944

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TIC10

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N/A

>  <Target> (214)
Akt

>  <Form> (214)
Free Base

>  <CAS> (214)
1616632-77-9

>  <URL> (214)
http://www.selleck.cn/products/tic-10.html

$$$$
S3871 Muscone.cdx
csChFnd80/12262214282D

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2552

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C16H30O

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238.4088

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S3871

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Muscone

>  <Synonyms> (215)
3-Methylcyclopentadecanone, Methylexaltone

>  <Target> (215)
Immunology & Inflammation

>  <Form> (215)
free base

>  <CAS> (215)
541-91-3

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

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/12262214282D

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2558

>  <Formula> (216)
C17H15N9

>  <MolWeight> (216)
345.3613

>  <Cat> (216)
S7674

>  <Name> (216)
Savolitinib(AZD6094, HMPL-504)

>  <Synonyms> (216)
Volitinib

>  <Target> (216)
MET

>  <Form> (216)
free base

>  <CAS> (216)
1313725-88-0

>  <URL> (216)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
SC144.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (217)
2585

>  <Formula> (217)
C16H11FN6O

>  <MolWeight> (217)
322.2965432

>  <Cat> (217)
S7124

>  <Name> (217)
SC144

>  <Synonyms> (217)
N/A

>  <Target> (217)
P-gp

>  <Form> (217)
Free Base

>  <CAS> (217)
895158-95-9

>  <URL> (217)
http://www.selleckchem.com/products/sc144.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/12262214282D

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2592

>  <Formula> (218)
C17H13N5

>  <MolWeight> (218)
287.31862

>  <Cat> (218)
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RepSox

>  <Synonyms> (218)
E-616452, SJN 2511

>  <Target> (218)
TGF-beta/Smad

>  <Form> (218)
Free Base

>  <CAS> (218)
446859-33-2

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

$$$$
CO-1686(AVL-301).cdx
csChFnd80/12262214282D

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>  <MolWeight> (219)
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>  <Cat> (219)
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>  <Name> (219)
Rociletinib (CO-1686, AVL-301)

>  <Synonyms> (219)
CNX-419, AVL-301

>  <Target> (219)
EGFR

>  <Form> (219)
Free Base

>  <CAS> (219)
1374640-70-6

>  <URL> (219)
http://www.selleckchem.com/products/co-1686.html

$$$$
pentoxifylline.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (220)
2655

>  <Formula> (220)
C13H18N4O3

>  <MolWeight> (220)
278.30702

>  <Cat> (220)
S4345

>  <Name> (220)
pentoxifylline

>  <Synonyms> (220)
N/A

>  <Target> (220)
Others

>  <Form> (220)
Free Base

>  <CAS> (220)
1677687

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

$$$$
SSR128129E (SSR).cdx
csChFnd80/12262214282D

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2677

>  <Formula> (221)
C18H15N2NaO4

>  <MolWeight> (221)
346.31247

>  <Cat> (221)
S7167

>  <Name> (221)
SSR128129E (SSR)

>  <Synonyms> (221)
SSR

>  <Target> (221)
FGFR

>  <Form> (221)
Free Base

>  <CAS> (221)
848318-25-2

>  <URL> (221)
http://www.selleckchem.com/products/ssr128129e.html

$$$$
Pacritinib (SB1518).cdx
csChFnd80/12262214282D

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>  <Mol_ID> (222)
2688

>  <Formula> (222)
C28H32N4O3

>  <MolWeight> (222)
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>  <Cat> (222)
S8057

>  <Name> (222)
Pacritinib (SB1518)

>  <Synonyms> (222)
N/A

>  <Target> (222)
JAK

>  <Form> (222)
Free Base

>  <CAS> (222)
937272-79-2

>  <URL> (222)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
Sorafenib.cdx
csChFnd80/12262214282D

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284461-73-0

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

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1097917-15-1

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1493694-70-4

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1431985-92-0

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>  <Mol_ID> (227)
2714

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C27H28N2O3

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428.52282

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S7365

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Adiporon

>  <Synonyms> (227)
N/A

>  <Target> (227)
Others

>  <Form> (227)
Free Base

>  <CAS> (227)
924416-43-3

>  <URL> (227)
http://www.selleckchem.com/products/AdipoRon.html

$$$$
LDN193189 HCl.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (228)
2734

>  <Formula> (228)
C25H23ClN6

>  <MolWeight> (228)
442.94332

>  <Cat> (228)
S7507

>  <Name> (228)
LDN193189 HCl

>  <Synonyms> (228)
N/A

>  <Target> (228)
TGF-beta/Smad

>  <Form> (228)
Hydrochloride

>  <CAS> (228)
1062368-62-0

>  <URL> (228)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
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>  <Mol_ID> (229)
2736

>  <Formula> (229)
C13H12N4O2S2

>  <MolWeight> (229)
320.38998

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S7258

>  <Name> (229)
SKLB1002

>  <Synonyms> (229)
N/A

>  <Target> (229)
VEGFR

>  <Form> (229)
Free Base

>  <CAS> (229)
1225451-84-2

>  <URL> (229)
http://www.selleckchem.com/products/sklb1002.html

$$$$
VGX-1027.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (230)
2742

>  <Formula> (230)
C11H11NO3

>  <MolWeight> (230)
205.20994

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S7515

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VGX-1027

>  <Synonyms> (230)
GIT 27

>  <Target> (230)
Immunology & Inflammation related

>  <Form> (230)
Free Base

>  <CAS> (230)
6501-72-0

>  <URL> (230)
http://www.selleckchem.com/products/vgx-1027.html

$$$$
Y-320.cdx
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Immunology & Inflammation related

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Free base

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288250-47-5

>  <URL> (231)
http://www.selleckchem.com/products/y-320.html

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N/A

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TGF-beta/Smad

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Free Base

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1062368-49-3

>  <URL> (232)
http://www.selleckchem.com/products/ml347.html

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Syk

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Free Base

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1229208-44-9

>  <URL> (233)
http://www.selleckchem.com/products/gs-9973.html

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1206711-16-1

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http://www.selleckchem.com/products/dmh1.html

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1454846-35-5

>  <URL> (248)
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IGF-1R

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Free Base

>  <CAS> (249)
477-47-4

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

$$$$
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csChFnd80/12262214282D

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EGFR

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1092364-38-9

>  <URL> (250)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
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csChFnd80/12262214282D

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627536-09-8

>  <URL> (251)
http://www.selleckchem.com/products/sd-208.html

$$$$
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1361030-48-9

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http://www.selleckchem.com/products/ldc1267.html

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915769-50-5

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http://www.selleckchem.com/products/dovitinib-tki258-lactate.html

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953769-46-5

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http://www.selleckchem.com/products/blz945.html

$$$$
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ANA-12

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N/A

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Trk receptor

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Free Base

>  <CAS> (256)
219766-25-3

>  <URL> (256)
http://www.selleckchem.com/products/ana-12.html

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2967

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C22H28ClN7O3S

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506.02082

>  <Cat> (257)
S7782

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Dasatinib Monohydrate

>  <Synonyms> (257)
BMS-354825 Monohydrate

>  <Target> (257)
Src

>  <Form> (257)
Monohydrate

>  <CAS> (257)
863127-77-9

>  <URL> (257)
http://www.selleckchem.com/products/dasatinib-monohydrate.html

$$$$
LM-3572.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (258)
2968

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C22H27FN4O2

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398.4737832

>  <Cat> (258)
S7781

>  <Name> (258)
Sunitinib

>  <Synonyms> (258)
SU11248

>  <Target> (258)
PDGFR

>  <Form> (258)
Free Base

>  <CAS> (258)
557795-19-4

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

$$$$
Erlotinib free Base.cdx
csChFnd80/12262214282D

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C22H23N3O4

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>  <Cat> (259)
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>  <Name> (259)
Erlotinib

>  <Synonyms> (259)
CP358774, NSC 718781

>  <Target> (259)
EGFR

>  <Form> (259)
Free Base

>  <CAS> (259)
183321-74-6

>  <URL> (259)
http://www.selleckchem.com/products/erlotinib.html

$$$$
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>  <Target> (260)
EGFR

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Free Base

>  <CAS> (260)
194423-06-8

>  <URL> (260)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
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C32H33ClFN5O11

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Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (261)
N/A

>  <Target> (261)
EGFR

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Dimaleate

>  <CAS> (261)
850140-73-7

>  <URL> (261)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
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N/A

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TGF-beta/Smad

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Free Base

>  <CAS> (262)
1627503-67-6

>  <URL> (262)
http://www.selleckchem.com/products/ldn-214117.html

$$$$
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N/A

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PDGFR

>  <Form> (263)
Free Base

>  <CAS> (263)
883986-34-3

>  <URL> (263)
http://www.selleckchem.com/products/azd2932.html

$$$$
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3008

>  <Formula> (264)
C31H33FN6O3

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S7799

>  <Name> (264)
Pexmetinib (ARRY-614)

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N/A

>  <Target> (264)
p38 MAPK

>  <Form> (264)
Free Base

>  <CAS> (264)
945614-12-0

>  <URL> (264)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

$$$$
PLX3397.cdx
csChFnd80/12262214282D

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>  <Cat> (265)
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>  <Name> (265)
Pexidartinib (PLX3397)

>  <Synonyms> (265)
N/A

>  <Target> (265)
CSF-1R

>  <Form> (265)
Free Base

>  <CAS> (265)
1029044-16-3

>  <URL> (265)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

$$$$
Entrectinib (RXDX-101, NMS-E628).cdx
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>  <Mol_ID> (266)
3034

>  <Formula> (266)
C31H34F2N6O2

>  <MolWeight> (266)
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>  <Cat> (266)
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>  <Name> (266)
Entrectinib (RXDX-101)

>  <Synonyms> (266)
NMS-E628

>  <Target> (266)
Trk receptor

>  <Form> (266)
Free Base

>  <CAS> (266)
1108743-60-7

>  <URL> (266)
http://www.selleckchem.com/products/entrectinib-rxdx-101.html

$$$$
FIIN-2.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (267)
3042

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C35H38N8O4

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FIIN-2

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N/A

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FGFR

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Free Base

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1633044-56-0

>  <URL> (267)
http://www.selleckchem.com/products/fiin-2.html

$$$$
AZD3759.cdx
csChFnd80/12262214282D

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>  <Formula> (268)
C22H23ClFN5O3

>  <MolWeight> (268)
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>  <Name> (268)
AZD3759

>  <Synonyms> (268)
N/A

>  <Target> (268)
EGFR

>  <Form> (268)
Free Base

>  <CAS> (268)
1626387-80-1

>  <URL> (268)
http://www.selleckchem.com/products/azd3759.html

$$$$
Resiquimod.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (269)
3061

>  <Formula> (269)
C17H22N4O2

>  <MolWeight> (269)
314.38218

>  <Cat> (269)
S8133

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Resiquimod

>  <Synonyms> (269)
R-848

>  <Target> (269)
TLR

>  <Form> (269)
Free Base

>  <CAS> (269)
144875-48-9

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

$$$$
ON123300.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (270)
3100

>  <Formula> (270)
C24H27N7O

>  <MolWeight> (270)
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>  <Cat> (270)
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ON123300

>  <Synonyms> (270)
N/A

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CDK

>  <Form> (270)
Free Base

>  <CAS> (270)
1357470-29-1

>  <URL> (270)
http://www.selleckchem.com/products/on123300.html

$$$$

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122520-85-8

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VEGFR

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1239875-86-5

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http://www.selleckchem.com/products/sgi-7079.html

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TNF-alpha

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Free Base

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1622849-58-4

>  <URL> (273)
http://www.selleckchem.com/products/gsk481.html

$$$$
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$$$$
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 14  9  1  0  0  0  0
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 26 29  2  0  0  0  0
  7 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
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 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (275)
3177

>  <Formula> (275)
C26H26N6O2S

>  <MolWeight> (275)
486.58864

>  <Cat> (275)
S8294

>  <Name> (275)
Olmutinib (HM61713, BI 1482694)

>  <Synonyms> (275)
BI 1482694, HM61713, HM71224

>  <Target> (275)
EGFR

>  <Form> (275)
Free Base

>  <CAS> (275)
1353550-13-6

>  <URL> (275)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
S4690 Vitamin E.cdx
csChFnd80/12262214282D

 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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   20.6268    2.2987    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
    7.0592    3.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
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  7 10  1  0  0  0  0
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 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 23 24  1  0  0  0  0
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 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> (276)
3189

>  <Formula> (276)
C29H50O2

>  <MolWeight> (276)
430.7061

>  <Cat> (276)
S4686

>  <Name> (276)
Vitamin E

>  <Synonyms> (276)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (276)
COX,VEGFR

>  <Form> (276)
Free Base

>  <CAS> (276)
21590

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

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/12262214282D

 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
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  1  2  2  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  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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 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> (277)
3194

>  <Formula> (277)
C15H10O4

>  <MolWeight> (277)
254.2375

>  <Cat> (277)
S8319

>  <Name> (277)
7,8-Dihydroxyflavone

>  <Synonyms> (277)
7,8-DHF

>  <Target> (277)
Trk receptor

>  <Form> (277)
Free Base

>  <CAS> (277)
38183-03-8

>  <URL> (277)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
SIS3.cdx
csChFnd80/12262214282D

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  2  0  0  0  0
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 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
M  END
>  <Mol_ID> (278)
3215

>  <Formula> (278)
C28H28ClN3O3

>  <MolWeight> (278)
489.99322

>  <Cat> (278)
S7959

>  <Name> (278)
SIS3 HCl

>  <Synonyms> (278)
N/A

>  <Target> (278)
TGF-beta/Smad

>  <Form> (278)
hydrochloride

>  <CAS> (278)
521984-48-5

>  <URL> (278)
http://www.selleckchem.com/products/sis3.html

$$$$
EAI045.cdx
csChFnd80/12262214282D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.6406    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> (279)
3222

>  <Formula> (279)
C19H14FN3O3S

>  <MolWeight> (279)
383.3961632

>  <Cat> (279)
S8242

>  <Name> (279)
EAI045

>  <Synonyms> (279)
N/A

>  <Target> (279)
EGFR

>  <Form> (279)
Free Base

>  <CAS> (279)
1942114-09-1

>  <URL> (279)
http://www.selleckchem.com/products/eai045.html

$$$$
ATI-2341.cdx
csChFnd80/12262214282D

158159  0  0  0  0  0  0  0  0999 V2000
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   58.2483   28.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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http://www.selleckchem.com/products/ati-2341.html

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517-89-5

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sulfate

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1223405-08-0

>  <URL> (282)
http://www.selleckchem.com/products/loxo-101.html

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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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874911-96-3

>  <URL> (284)
http://www.selleckchem.com/products/zk756326.html

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C22H15F3N4O2

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S8189

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BAW2881 (NVP-BAW2881)

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N/A

>  <Target> (285)
VEGFR

>  <Form> (285)
Free Base

>  <CAS> (285)
861875-60-7

>  <URL> (285)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

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Alantolactone.cdx
csChFnd80/12262214282D

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Alantolactone

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helenin, helenine, Eupatal

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Free Base

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546-43-0

>  <URL> (286)
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$$$$
AS101.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (287)
3257

>  <Formula> (287)
C2H8Cl3NO2Te

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AS101

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N/A

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Others

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Coordination Co

>  <CAS> (287)
106566-58-9

>  <URL> (287)
http://www.selleckchem.com/products/as101.html

$$$$
BFH772.cdx
csChFnd80/12262214282D

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3261

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C23H16F3N3O3

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S8188

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BFH772

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>  <Target> (288)
VEGFR

>  <Form> (288)
Free Base

>  <CAS> (288)
890128-81-1

>  <URL> (288)
http://www.selleckchem.com/products/bfh772.html

$$$$
NT157.cdx
csChFnd80/12262214282D

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>  <Formula> (289)
C16H14BrNO5S

>  <MolWeight> (289)
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NT157

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N/A

>  <Target> (289)
IGF-1R

>  <Form> (289)
Free Base

>  <CAS> (289)
1384426-12-3

>  <URL> (289)
http://www.selleckchem.com/products/nt157.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/12262214282D

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c-Met

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1206799-15-6

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http://www.selleckchem.com/products/ly2801653-merestinib.html

$$$$
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1346242-81-6

>  <URL> (292)
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CXCR

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HBr

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FLT3

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Free Base

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1370256-78-2

>  <URL> (297)
http://www.selleck.cn/products/sklb4771-flt3-in1.html

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ASP8273 (Naquotinib)

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EGFR

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Free Base

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1448232-80-1

>  <URL> (298)
http://www.selleckchem.com/products/naquotinib-asp8273.html

$$$$

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Aurora Kinase Inhibitor III

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N/A

>  <Target> (299)
Aurora Kinase

>  <Form> (299)
Free Base

>  <CAS> (299)
879127-16-9

>  <URL> (299)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$
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FGFR

>  <Form> (300)
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>  <CAS> (300)
704869-38-5

>  <URL> (300)
http://www.selleckchem.com/products/sun11602.html

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C22H12BrN3O4S

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>  <Name> (301)
Bioymifi

>  <Synonyms> (301)
N/A

>  <Target> (301)
TNF-alpha

>  <Form> (301)
Free Base

>  <CAS> (301)
1420071-30-2

>  <URL> (301)
http://www.selleckchem.com/products/bioymifi.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/12262214282D

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3356

>  <Formula> (302)
C26H31ClN6O2

>  <MolWeight> (302)
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>  <Cat> (302)
S7824

>  <Name> (302)
Nazartinib (EGF816, NVS-816)

>  <Synonyms> (302)
N/A

>  <Target> (302)
EGFR

>  <Form> (302)
Free Base

>  <CAS> (302)
1508250-71-2

>  <URL> (302)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
PD-166866.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (303)
3360

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C20H24N6O3

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S8493

>  <Name> (303)
PD-166866

>  <Synonyms> (303)
N/A

>  <Target> (303)
FGFR

>  <Form> (303)
Free Base

>  <CAS> (303)
192705-79-6

>  <URL> (303)
http://www.selleckchem.com/products/pd-166866.html

$$$$
BLU-554.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (304)
3362

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C24H24Cl2N4O4

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>  <Cat> (304)
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>  <Name> (304)
BLU-554

>  <Synonyms> (304)
N/A

>  <Target> (304)
FGFR

>  <Form> (304)
Free Base

>  <CAS> (304)
1707289-21-1

>  <URL> (304)
http://www.selleckchem.com/products/blu-554.html

$$$$
DAPTA.cdx
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>  <Formula> (305)
C35H56N10O15

>  <MolWeight> (305)
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>  <Cat> (305)
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>  <Name> (305)
DAPTA

>  <Synonyms> (305)
D-Ala-peptide T-amide, peptide T

>  <Target> (305)
gp120 Bal-CCR5,CM235-CCR5

>  <Form> (305)
free base

>  <CAS> (305)
106362-34-9

>  <URL> (305)
http://www.selleckchem.com/products/dapta.html

$$$$
AD80.cdx
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>  <Mol_ID> (306)
3389

>  <Formula> (306)
C22H19F4N7O

>  <MolWeight> (306)
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>  <Cat> (306)
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>  <Name> (306)
AD80

>  <Synonyms> (306)
N/A

>  <Target> (306)
Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

>  <Form> (306)
free base

>  <CAS> (306)
1384071-99-1

>  <URL> (306)
http://www.selleckchem.com/products/ad80.html

$$$$
RXDX-106 (CEP-40783).cdx
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>  <Mol_ID> (307)
3392

>  <Formula> (307)
C31H26F2N4O6

>  <MolWeight> (307)
588.5581464

>  <Cat> (307)
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>  <Name> (307)
RXDX-106 (CEP-40783)

>  <Synonyms> (307)
N/A

>  <Target> (307)
Axl,c-Met,Tyro3,MER,Tyro3,VEGFR2

>  <Form> (307)
free base

>  <CAS> (307)
1437321-24-8

>  <URL> (307)
http://www.selleckchem.com/products/rxdx-106-cep-40783.html

$$$$
Sitravatinib (MGCD516 ).cdx
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>  <Target> (308)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (308)
free base

>  <CAS> (308)
1123837-84-2

>  <URL> (308)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

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>  <Formula> (309)
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>  <MolWeight> (309)
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>  <Cat> (309)
S8583

>  <Name> (309)
TPX-0005

>  <Synonyms> (309)
N/A

>  <Target> (309)
 ALK,ALK(L1196M),ALK(G1202R),Src 

>  <Form> (309)
free base

>  <CAS> (309)
no

>  <URL> (309)
http://www.selleckchem.com/products/tpx-0005.html

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csChFnd80/12262214282D

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>  <Mol_ID> (310)
3404

>  <Formula> (310)
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>  <MolWeight> (310)
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>  <Cat> (310)
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>  <Name> (310)
GSK2982772

>  <Synonyms> (310)
N/A

>  <Target> (310)
human RIP1

>  <Form> (310)
free base

>  <CAS> (310)
1622848-92-3

>  <URL> (310)
http://www.selleckchem.com/products/gsk2982772.html

$$$$
TAK-659.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (311)
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>  <Formula> (311)
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>  <MolWeight> (311)
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>  <Cat> (311)
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>  <Name> (311)
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>  <Synonyms> (311)
N/A

>  <Target> (311)
Syk,FLT3,ZAP-70,JAK3,VEGFR2

>  <Form> (311)
hydrochloride 

>  <CAS> (311)
1952251-28-3

>  <URL> (311)
http://www.selleckchem.com/products/tak-659.html

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free base

>  <CAS> (312)
1402438-74-7

>  <URL> (312)
http://www.selleckchem.com/products/pf-06273340.html

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/12262214282D

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>  <Synonyms> (313)
N/A

>  <Target> (313)
ALK,TRK

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free base

>  <CAS> (313)
1357920-84-3

>  <URL> (313)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

$$$$
PRN1371.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (314)
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>  <Formula> (314)
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>  <MolWeight> (314)
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>  <Cat> (314)
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>  <Name> (314)
PRN1371

>  <Synonyms> (314)
N/A

>  <Target> (314)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (314)
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>  <CAS> (314)
1802929-43-6

>  <URL> (314)
http://www.selleckchem.com/products/prn1371.html

$$$$
Gilteritinib (ASP2215).cdx
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   15.7617    2.8000    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
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    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
  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
  6  9  1  0  0  0  0
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 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 20 15  1  0  0  0  0
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 21 22  1  0  0  0  0
 18 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
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 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
 32 35  1  0  0  0  0
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 39 40  1  0  0  0  0
 40 13  1  0  0  0  0
M  END
>  <Mol_ID> (315)
3431

>  <Formula> (315)
C29H44N8O3

>  <MolWeight> (315)
552.71146

>  <Cat> (315)
S7754

>  <Name> (315)
Gilteritinib (ASP2215)

>  <Synonyms> (315)
N/A

>  <Target> (315)
FLT3,Axl 

>  <Form> (315)
free base

>  <CAS> (315)
1254053-43-4

>  <URL> (315)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/12262214282D

 19 19  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    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    1.4000    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
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    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1497   11.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    9.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (316)
3450

>  <Formula> (316)
C14H21NO3S

>  <MolWeight> (316)
283.38644

>  <Cat> (316)
S8640

>  <Name> (316)
Reparixin (Repertaxin)

>  <Synonyms> (316)
N/A

>  <Target> (316)
CXCR1,CXCR2,CXCL8

>  <Form> (316)
free base

>  <CAS> (316)
266359-83-5

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

$$$$
H3B-6527.cdx
csChFnd80/12262214282D

 43 46  0  0  0  0  0  0  0  0999 V2000
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   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
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.2000    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
  5  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  2  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
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 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
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 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
 37 38  1  0  0  0  0
 33 39  1  0  0  0  0
 36 40  1  0  0  0  0
 34 41  1  0  0  0  0
 41 42  1  0  0  0  0
 40 43  1  0  0  0  0
M  END
>  <Mol_ID> (317)
3487

>  <Formula> (317)
C29H34Cl2N8O4

>  <MolWeight> (317)
629.53746

>  <Cat> (317)
S8675

>  <Name> (317)
H3B-6527

>  <Synonyms> (317)
N/A

>  <Target> (317)
FGFR4

>  <Form> (317)
free base

>  <CAS> (317)
1702259-66-2

>  <URL> (317)
http://www.selleckchem.com/products/h3b-6527.html

$$$$
Takinib.cdx
csChFnd80/12262214282D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    3.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.9686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    4.8360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    3.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    2.4111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2522    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    7.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792    3.6235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 23  2  0  0  0  0
 18 24  2  0  0  0  0
M  END
>  <Mol_ID> (318)
3503

>  <Formula> (318)
C18H18N4O2

>  <MolWeight> (318)
322.36112

>  <Cat> (318)
S8663

>  <Name> (318)
Takinib

>  <Synonyms> (318)
EDHS-206

>  <Target> (318)
TAK1,IRAK4,IRAK1

>  <Form> (318)
free base

>  <CAS> (318)
1111556-37-6

>  <URL> (318)
http://www.selleckchem.com/products/takinib.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/12262214282D

 20 17  0  0  0  0  0  0  0  0999 V2000
    4.7611    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3521    3.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2131    5.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5731    2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282    5.0829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5143    2.5760    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0767    5.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5423    5.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921    1.2735    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    5.5489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7231    1.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (319)
3532

>  <Formula> (319)
C6H6Na3O9P

>  <MolWeight> (319)
322.049511

>  <Cat> (319)
S5115

>  <Name> (319)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (319)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (319)
Others

>  <Form> (319)
sodium salt

>  <CAS> (319)
66170-10-3

>  <URL> (319)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
2-D08.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (320)
3560

>  <Formula> (320)
C15H10O5

>  <MolWeight> (320)
270.2369

>  <Cat> (320)
S8696

>  <Name> (320)
2-D08
2-D08

>  <Synonyms> (320)
2',3',4'-trihydroxy flavone

>  <Target> (320)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (320)
free base

>  <CAS> (320)
144707-18-6

>  <URL> (320)
http://selleckchem.com/products/2-d08.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (321)
3601

>  <Formula> (321)
C21H17ClF4N4O4

>  <MolWeight> (321)
500.8306928

>  <Cat> (321)
S5077

>  <Name> (321)
Regorafenib Monohydrate

>  <Synonyms> (321)
N/A

>  <Target> (321)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (321)
monohydrate

>  <CAS> (321)
1019206-88-2

>  <URL> (321)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
SNS-314.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (322)
3619

>  <Formula> (322)
C18H15ClN6OS2

>  <MolWeight> (322)
430.9343

>  <Cat> (322)
S8699

>  <Name> (322)
SNS-314 Mesylate

>  <Synonyms> (322)
N/A

>  <Target> (322)
Aurora Kinase

>  <CAS> (322)
1057249-41-8

>  <URL> (322)
http://selleckchem.com/products/sns-314.html

$$$$
BMS-935177.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (323)
3627

>  <Formula> (323)
C31H26N4O3

>  <MolWeight> (323)
502.56314

>  <Cat> (323)
S8348

>  <Name> (323)
BMS-935177

>  <Synonyms> (323)
N/A

>  <Target> (323)
BTK,Trk receptor,c-RET

>  <Form> (323)
free base

>  <CAS> (323)
1231889-53-4

>  <URL> (323)
http://selleckchem.com/products/bms-935177.html

$$$$
ML221.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (324)
3650

>  <Formula> (324)
C17H11N3O6S

>  <MolWeight> (324)
385.35074

>  <Cat> (324)
S8695

>  <Name> (324)
ML221

>  <Synonyms> (324)
N/A

>  <Target> (324)
Others

>  <CAS> (324)
877636-42-5

>  <URL> (324)
http://selleckchem.com/products/ml221.html

$$$$
S5232 Alectinib hydrochloride.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (325)
3657

>  <Formula> (325)
C30H35ClN4O2

>  <MolWeight> (325)
519.0775

>  <Cat> (325)
S5232

>  <Name> (325)
Alectinib hydrochloride

>  <Synonyms> (325)
AF802 hydrochloride

>  <Target> (325)
ALK

>  <Form> (325)
hydrochloride 

>  <CAS> (325)
1256589-74-8

>  <URL> (325)
http://selleckchem.com/products/alectinib-hydrochloride.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (326)
3718

>  <Formula> (326)
C22H25Cl2FN4O3

>  <MolWeight> (326)
483.3633032

>  <Cat> (326)
S5098

>  <Name> (326)
Gefitinib hydrochloride

>  <Synonyms> (326)
ZD1839 hydrochloride

>  <Target> (326)
EGFR

>  <Form> (326)
hydrochloride 

>  <CAS> (326)
184475-55-6

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

$$$$
GSK'963.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (327)
3767

>  <Formula> (327)
C14H18N2O

>  <MolWeight> (327)
230.30552

>  <Cat> (327)
S8642

>  <Name> (327)
GSK'963

>  <Synonyms> (327)
N/A

>  <Target> (327)
NF-¦ÊB,TNF-alpha

>  <Form> (327)
free base

>  <CAS> (327)
2049868-46-2

>  <URL> (327)
http://selleckchem.com/products/gsk963.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/12262214282D

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>  <Mol_ID> (328)
3770

>  <Formula> (328)
C23H24Cl2FN3O3

>  <MolWeight> (328)
480.3593632

>  <Cat> (328)
S8726

>  <Name> (328)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (328)
N/A

>  <Target> (328)
VEGFR

>  <Form> (328)
dihydrochloride 

>  <CAS> (328)
1360460-82-7

>  <URL> (328)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
DCC-2618.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (329)
3771

>  <Formula> (329)
C26H21F2N5O3

>  <MolWeight> (329)
489.4734464

>  <Cat> (329)
S8721

>  <Name> (329)
DCC-2618

>  <Synonyms> (329)
N/A

>  <Target> (329)
c-Kit

>  <CAS> (329)
 1225278-16-9

>  <URL> (329)
http://selleckchem.com/products/dcc-2618.html

$$$$
FGF401.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (330)
3772

>  <Formula> (330)
C25H30N8O4

>  <MolWeight> (330)
506.5569

>  <Cat> (330)
S8548

>  <Name> (330)
FGF401

>  <Synonyms> (330)
N/A

>  <Target> (330)
FGFR

>  <Form> (330)
free base

>  <CAS> (330)
1708971-55-4

>  <URL> (330)
http://selleckchem.com/products/fgf401.html

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/12262214282D

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  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> (331)
3807

>  <Formula> (331)
C33H39N5O7S

>  <MolWeight> (331)
649.75706

>  <Cat> (331)
S5234

>  <Name> (331)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (331)
Intedanib, BIBF 1120

>  <Target> (331)
VEGFR,FGFR,PDGFR

>  <Form> (331)
ethanesulfonate 

>  <CAS> (331)
656247-18-6

>  <URL> (331)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/12262214282D

 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> (332)
3809

>  <Formula> (332)
C29H31FN4O7

>  <MolWeight> (332)
566.5774432

>  <Cat> (332)
S5242

>  <Name> (332)
Cediranib Maleate

>  <Synonyms> (332)
AZD-2171 maleate

>  <Target> (332)
VEGFR

>  <Form> (332)
maleate

>  <CAS> (332)
 857036-77-2

>  <URL> (332)
http://selleckchem.com/products/cediranib-maleate.html

$$$$
S5459 Aucubin.cdx
csChFnd80/12262214282D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.0753    6.9721    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2715    6.2815    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0753    8.3993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7964    6.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2715    4.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4855    6.9825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7263    8.8749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2416    9.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9290    7.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3659    5.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4814    4.1764    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4855    8.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3056   10.2067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4814    2.7902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6924    4.8756    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6945    2.0898    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8905    4.1838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6924    6.2807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9096    2.7914    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6945    0.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1090    4.8873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1093    2.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9141    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9110    5.5958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8873    9.7879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 25  1  1  0  0  0
  2  5  1  1  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 26  1  1  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
 11  5  1  1  0  0  0
  6 12  1  0  0  0  0
  7 13  1  1  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 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
M  END
>  <Mol_ID> (333)
3868

>  <Formula> (333)
C15H22O9

>  <MolWeight> (333)
346.32978

>  <Cat> (333)
S5459

>  <Name> (333)
Aucubin

>  <Synonyms> (333)
Rhinanthin

>  <Target> (333)
Immunology & Inflammation related

>  <Form> (333)
free base

>  <CAS> (333)
479-98-1

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

$$$$
S5579 Chelidonic acid.cdx
csChFnd80/12262214282D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   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
    6.0622    0.0000    0.0000 O   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
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  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
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (334)
3928

>  <Formula> (334)
C7H4O6

>  <MolWeight> (334)
184.10306

>  <Cat> (334)
S5579

>  <Name> (334)
Chelidonic acid

>  <Synonyms> (334)
Jerva acid, Jervaic acid, ¦Ã-Pyrone-2,6-dicarboxylic acid

>  <Target> (334)
Immunology & Inflammation related

>  <Form> (334)
free base

>  <CAS> (334)
99-32-1

>  <URL> (334)
http://selleckchem.com/products/chelidonic-acid.html

$$$$
S5584 Citronellol.cdx
csChFnd80/12262214282D

 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
    9.6995    2.1000    0.0000 O   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    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  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
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (335)
3932

>  <Formula> (335)
C10H20O

>  <MolWeight> (335)
156.2652

>  <Cat> (335)
S5584

>  <Name> (335)
Citronellol

>  <Synonyms> (335)
dihydrogeraniol, (¡À)-¦Â-Citronellol

>  <Target> (335)
Others

>  <Form> (335)
free base

>  <CAS> (335)
106-22-9

>  <URL> (335)
http://selleckchem.com/products/citronellol.html

$$$$
S5588 Creatine.cdx
csChFnd80/12262214282D

  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
    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
    0.0000    2.1000    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
    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  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (336)
3935

>  <Formula> (336)
C4H9N3O2

>  <MolWeight> (336)
131.13316

>  <Cat> (336)
S5588

>  <Name> (336)
Creatine

>  <Synonyms> (336)
Methylguanidoacetic acid

>  <Target> (336)
Others

>  <Form> (336)
free base

>  <CAS> (336)
57-00-1

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

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/12262214282D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    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
    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
    6.0622    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    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
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (337)
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>  <MolWeight> (337)
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>  <Name> (337)
lenvatinib Mesylate

>  <Synonyms> (337)
N/A

>  <Target> (337)
VEGFR

>  <Form> (337)
Mesylate

>  <CAS> (337)
 857890-39-2

>  <URL> (337)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/12262214282D

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>  <Mol_ID> (338)
3970

>  <Formula> (338)
C22H28FN4O6P

>  <MolWeight> (338)
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>  <Cat> (338)
S5272

>  <Name> (338)
Toceranib phosphate

>  <Synonyms> (338)
SU11654

>  <Target> (338)
PDGFR¦Â

>  <Form> (338)
phosphate 

>  <CAS> (338)
874819-74-6

>  <URL> (338)
http://selleckchem.com/products/.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/12262214282D

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>  <Mol_ID> (339)
4016

>  <Formula> (339)
C30H34N8O3

>  <MolWeight> (339)
554.64276

>  <Cat> (339)
S8724

>  <Name> (339)
Lazertinib (YH25448,GNS-1480)

>  <Form> (339)
free base

>  <CAS> (339)
1903008-80-9

$$$$
Apremilast (CC-10004).cdx
csChFnd80/12262214282D

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>  <Mol_ID> (340)
4037

>  <Formula> (340)
C22H24N2O7S

>  <MolWeight> (340)
460.50016

>  <Cat> (340)
S8034

>  <Name> (340)
Apremilast (CC-10004)
Apremilast (CC-10004)

>  <Synonyms> (340)
N/A

>  <Target> (340)
PDE

>  <Form> (340)
Free Base

>  <CAS> (340)
608141-41-9

>  <URL> (340)
http://www.selleckchem.com/products/apremilast-cc-10004.html

$$$$
S9350 Ethyl 4-Methoxycinnamate.cdx
csChFnd80/12262214282D

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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  7 12  1  0  0  0  0
 14 15  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (341)
4049

>  <Formula> (341)
C12H14O3

>  <MolWeight> (341)
206.23776

>  <Cat> (341)
S9350

>  <Name> (341)
Ethyl 4-Methoxycinnamate

>  <Form> (341)
free base

>  <CAS> (341)
24393-56-4

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/12262214282D

 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> (342)
4060

>  <Formula> (342)
C8H8O3

>  <MolWeight> (342)
152.14732

>  <Cat> (342)
S9374

>  <Name> (342)
2',5'-Dihydroxyacetophenone

>  <CAS> (342)
490-78-8

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/12262214282D

 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> (343)
4062

>  <Formula> (343)
C15H24N2O2

>  <MolWeight> (343)
264.36326

>  <Cat> (343)
S9384

>  <Name> (343)
Sophocarpine Monohydrate

>  <Form> (343)
free base

>  <CAS> (343)
 145572-44-7

$$$$
S9407 Angoroside C.cdx
csChFnd80/12262214282D

 55 59  0  0  0  0  0  0  0  0999 V2000
    7.2477    2.0878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2478    3.5217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5378    4.2665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5577    2.0813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3935    1.4245    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7503    7.7665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9419    8.4545    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9419    9.8567    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7238   10.5600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8228    2.0878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6315    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3804    2.1224    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3807    3.4534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6499    4.1825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5979    3.6545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3935    0.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7701    1.3813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9752    2.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1912    1.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4019    2.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4025    3.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6149    4.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6149    5.5728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8273    3.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8273    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6149    1.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0398    4.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2522    3.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5378    5.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7503    6.3665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1543   10.5567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5248    9.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5232    8.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7238   11.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1543    7.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0354    4.2217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0354    5.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8230    6.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8230    7.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6132    8.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6132    9.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3946   10.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859    9.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859    8.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100    7.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3946   11.9022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1573   12.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2478    6.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0353    1.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    4.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8228    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    5.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680    1.4224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315    0.0000    0.0000 O   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
  5  1  1  0  0  0  0
  4  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  1  0  0  0  0
 15  4  1  0  0  0  0
  5 16  1  6  0  0  0
  4 17  1  1  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 20  2  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
  3 29  1  1  0  0  0
  6 30  1  6  0  0  0
 30 29  1  0  0  0  0
  8 31  1  6  0  0  0
  9 32  1  0  0  0  0
 33  6  1  0  0  0  0
 32 33  1  0  0  0  0
  9 34  1  6  0  0  0
  7 35  1  1  0  0  0
  2 36  1  6  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 43  2  0  0  0  0
 45 46  1  0  0  0  0
 46 40  2  0  0  0  0
 47 42  1  0  0  0  0
 48 47  1  0  0  0  0
 49 37  2  0  0  0  0
 10 50  1  1  0  0  0
  1 50  1  1  0  0  0
 13 51  1  1  0  0  0
 52 10  1  0  0  0  0
 14 52  1  0  0  0  0
 14 53  1  6  0  0  0
 12 54  1  6  0  0  0
 11 55  1  6  0  0  0
M  END
>  <Mol_ID> (344)
4078

>  <Formula> (344)
C36H48O19

>  <MolWeight> (344)
784.75492

>  <Cat> (344)
S9407

>  <Name> (344)
Angoroside C

>  <Form> (344)
free base

>  <CAS> (344)
115909-22-3

$$$$
S9414 Cyasterone.cdx
csChFnd80/12262214282D

 40 44  0  0  0  0  0  0  0  0999 V2000
    7.3112    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1113    3.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    5.5776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6034    3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    2.8877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1113    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6231    6.0456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1113    6.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    6.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4670    4.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786    3.5009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8982    5.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0056    7.3708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6786    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4524    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786    4.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3438    7.6939    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5881    7.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5506    8.6102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524    1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    3.5009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2998    6.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0197    4.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6580    6.9224    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.4307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9171    6.3884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7632    8.2805    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8995    7.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2402    4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2007    8.5639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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959-23-9

>  <URL> (349)
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 14  9  1  0  0  0  0
 18  9  2  0  0  0  0
 15 11  1  0  0  0  0
 17 11  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 14  2  0  0  0  0
 16 14  1  0  0  0  0
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 22 18  1  0  0  0  0
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 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (350)
4155

>  <Formula> (350)
C21H16N2O2S

>  <MolWeight> (350)
360.42894

>  <Cat> (350)
S5913

>  <Name> (350)
Cambinol

>  <Synonyms> (350)
N/A

>  <Target> (350)
TNF-alpha

>  <Form> (350)
Free Base

>  <CAS> (350)
14513-15-6

>  <URL> (350)
http://www.selleckchem.com/products/cambinol.html

$$$$

csChFnd80/12262214282D

 35 39  0  0  0  0  0  0  0  0999 V2000
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 24 18  1  0  0  0  0
 19 25  1  1  0  0  0
 25 26  2  0  0  0  0
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 32 33  1  0  0  0  0
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 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (351)
4186

>  <Formula> (351)
C29H29FN4O

>  <MolWeight> (351)
468.5651632

>  <Cat> (351)
S8609

>  <Name> (351)
Derazantinib(ARQ-087)

>  <Synonyms> (351)
N/A

>  <Target> (351)
FGFR

>  <Form> (351)
Free Base

>  <CAS> (351)
1234356-69-4

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

$$$$

csChFnd80/12262214282D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (352)
4187

>  <Formula> (352)
C13H12ClN3O2

>  <MolWeight> (352)
277.70628

>  <Cat> (352)
S8641

>  <Name> (352)
Nec-1s (7-Cl-O-Nec1)

>  <Synonyms> (352)
Necrostatin-1 stable

>  <Target> (352)
TNF-alpha

>  <Form> (352)
Free Base

>  <CAS> (352)
852391-15-2

>  <URL> (352)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/12262214282D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (353)
4191

>  <Formula> (353)
C14H11ClN4S2

>  <MolWeight> (353)
334.84694

>  <Cat> (353)
S8700

>  <Name> (353)
TP0427736 HCl

>  <Synonyms> (353)
N/A

>  <Target> (353)
ALK

>  <Form> (353)
hydrochloride

>  <CAS> (353)
864374-00-5

>  <URL> (353)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/12262214282D

 36 40  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 10 11  2  0  0  0  0
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 28 23  1  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 35 30  1  0  0  0  0
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M  END
>  <Mol_ID> (354)
4199

>  <Formula> (354)
C26H26FN7O2

>  <MolWeight> (354)
487.5287432

>  <Cat> (354)
S8741

>  <Name> (354)
Avitinib (AC0010)

>  <Synonyms> (354)
N/A

>  <Target> (354)
EGFR

>  <Form> (354)
Free Base

>  <CAS> (354)
1557267-42-1

>  <URL> (354)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/12262214282D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (355)
4205

>  <Formula> (355)
C19H15N3O6S

>  <MolWeight> (355)
413.4039

>  <Cat> (355)
S8754

>  <Name> (355)
Alofanib(RPT835)

>  <Synonyms> (355)
N/A

>  <Target> (355)
FGFR

>  <Form> (355)
Free Base

>  <CAS> (355)
1612888-66-0

>  <URL> (355)
http://www.selleckchem.com/products/alofanib-rpt835.html

$$$$

csChFnd80/12262214282D

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M  END
>  <Mol_ID> (356)
4207

>  <Formula> (356)
C24H21BrFN5O2

>  <MolWeight> (356)
510.3582432

>  <Cat> (356)
S8757

>  <Name> (356)
Ripretinib (DCC-2618)

>  <Synonyms> (356)
N/A

>  <Target> (356)
c-Kit

>  <Form> (356)
Free Base

>  <CAS> (356)
1442472-39-0

>  <URL> (356)
http://www.selleckchem.com/products/ripretinib-dcc-2618.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/12262214282D

 46 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (357)
4225

>  <Formula> (357)
C38H46O8

>  <MolWeight> (357)
630.76704

>  <Cat> (357)
S9031

>  <Name> (357)
Gambogenic acid

>  <Form> (357)
free base

>  <CAS> (357)
173932-75-7

$$$$
S9052 Auraptene.cdx
csChFnd80/12262214282D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (358)
4235

>  <Formula> (358)
C19H22O3

>  <MolWeight> (358)
298.37618

>  <Cat> (358)
S9052

>  <Name> (358)
Auraptene

>  <Form> (358)
free base

>  <CAS> (358)
495-02-3

$$$$
S9053 Irisflorentin.cdx
csChFnd80/12262214282D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (359)
4236

>  <Formula> (359)
C20H18O8

>  <MolWeight> (359)
386.35212

>  <Cat> (359)
S9053

>  <Name> (359)
Irisflorentin

>  <Form> (359)
free base

>  <CAS> (359)
41743-73-1

$$$$
S9054 Pectolinarin.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (360)
4237

>  <Formula> (360)
C29H34O15

>  <MolWeight> (360)
622.57126

>  <Cat> (360)
S9054

>  <Name> (360)
Pectolinarin

>  <Form> (360)
free base

>  <CAS> (360)
28978-02-1

$$$$
S9062 4-Hydroxyisoleucine.cdx
csChFnd80/12262214282D

 10  9  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
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    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
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  5 10  1  0  0  0  0
M  END
>  <Mol_ID> (361)
4245

>  <Formula> (361)
C6H13NO3

>  <MolWeight> (361)
147.17232

>  <Cat> (361)
S9062

>  <Name> (361)
4-Hydroxyisoleucine

>  <Form> (361)
free base

>  <CAS> (361)
781658-23-9

$$$$
S9075 Mulberroside A.cdx
csChFnd80/12262214282D

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 30 31  1  0  0  0  0
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M  END
>  <Mol_ID> (362)
4257

>  <Formula> (362)
C26H32O14

>  <MolWeight> (362)
568.52388

>  <Cat> (362)
S9075

>  <Name> (362)
Mulberroside A

>  <Form> (362)
free base

>  <CAS> (362)
102841-42-9

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (363)
4262

>  <Formula> (363)
C21H20O6

>  <MolWeight> (363)
368.3799

>  <Cat> (363)
S9080

>  <Name> (363)
Anhydroicaritin

>  <Form> (363)
free base

>  <CAS> (363)
118525-40-9

$$$$
S9081 Anemoside B4.cdx
csChFnd80/12262214282D

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M  END
>  <Mol_ID> (364)
4263

>  <Formula> (364)
C59H96O26

>  <MolWeight> (364)
1221.37794

>  <Cat> (364)
S9081

>  <Name> (364)
Anemoside B4

>  <CAS> (364)
129741-57-7

$$$$
S9090 Corilagin.cdx
csChFnd80/12262214282D

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>  <CAS> (367)
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 34 37  1  0  0  0  0
 36 40  2  0  0  0  0
 37 41  1  6  0  0  0
 38 42  1  0  0  0  0
 40 43  1  0  0  0  0
 40 44  1  0  0  0  0
M  END
>  <Mol_ID> (368)
4304

>  <Formula> (368)
C36H62O9

>  <MolWeight> (368)
638.87208

>  <Cat> (368)
S9129

>  <Name> (368)
20(S)-Ginsenoside Rh1

>  <Form> (368)
free base

>  <CAS> (368)
63223-86-9

$$$$
S9136 Neochlorogenic acid.cdx
csChFnd80/12262214282D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2119    5.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4202    3.4991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6279    4.1913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6284    5.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209    6.3081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5172    7.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3251    7.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7028    7.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8515    8.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202    2.0991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8404    3.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0521    4.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2649    3.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0521    5.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4771    4.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6896    3.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8972    4.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1052    3.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1115    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8992    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6797    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8992    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3239    1.4037    0.0000 O   0  0  0  0  0  0  0  0  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
  2 12  1  6  0  0  0
  3  4  1  0  0  0  0
  3 11  1  1  0  0  0
  4 13  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  2  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
 18 19  2  0  0  0  0
 18 23  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
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (369)
4310

>  <Formula> (369)
C16H18O9

>  <MolWeight> (369)
354.30872

>  <Cat> (369)
S9136

>  <Name> (369)
Neochlorogenic acid

>  <Form> (369)
free base

>  <CAS> (369)
906-33-2

$$$$
S9184 Forsythoside B.cdx
csChFnd80/12262214282D

 53 57  0  0  0  0  0  0  0  0999 V2000
    9.6983    7.7016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6983    6.3013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9107    5.6012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1229    6.3013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1229    7.7016    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9107    8.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3352    8.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5476    7.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7597    8.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9721    7.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9721    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1908    5.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4032    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4032    7.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1908    8.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6155    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6155    8.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107    4.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    8.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    2.4245    6.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    5.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (370)
4347

>  <Formula> (370)
C34H44O19

>  <MolWeight> (370)
756.70176

>  <Cat> (370)
S9184

>  <Name> (370)
Forsythoside B

>  <Form> (370)
free base

>  <CAS> (370)
81525-13-5

$$$$
S9185 Nitidine Chloride.cdx
csChFnd80/12262214282D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.0570    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8340    2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2956    2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0570    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8340    4.2102    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.2956    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4927    2.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8340    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984    2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0570    4.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6214    4.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4927    4.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7209    2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1857    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7209    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9440    2.1182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1857    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8534    2.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9440    0.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273    0.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1149    4.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0787    6.1886    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  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
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 12  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  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  2  0  0  0  0
 17 21  1  0  0  0  0
 17 20  1  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 26  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (371)
4348

>  <Formula> (371)
C21H18ClNO4

>  <MolWeight> (371)
383.82492

>  <Cat> (371)
S9185

>  <Name> (371)
Nitidine Chloride

>  <Form> (371)
free base

>  <CAS> (371)
13063-04-2

$$$$
S9194 Toddalolactone.cdx
csChFnd80/12262214282D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.0668    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8490    4.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567    2.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6412    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    2.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    2.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6032    1.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9133    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  2  3  2  0  0  0  0
  2 21  1  0  0  0  0
  3  6  1  0  0  0  0
  5  4  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (372)
4354

>  <Formula> (372)
C16H20O6

>  <MolWeight> (372)
308.3264

>  <Cat> (372)
S9194

>  <Name> (372)
Toddalolactone

>  <Form> (372)
Toddalolactone

>  <CAS> (372)
483-90-9

$$$$

csChFnd80/12262214282D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   10.7019    7.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (373)
4373

>  <Formula> (373)
C20H20N4O3S

>  <MolWeight> (373)
396.4628

>  <Cat> (373)
S2039

>  <Name> (373)
IRAK inhibitor 6

>  <Synonyms> (373)
N/A

>  <Target> (373)
IL Receptor

>  <Form> (373)
Free Base

>  <CAS> (373)
1042672-97-8

>  <URL> (373)
http://www.selleck.cn/products/irak-inhibitor-6.html

$$$$
S9236 ¦Á-Cyperone.cdx
csChFnd80/12262214282D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 14  2  1  0  0  0  0
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M  END
>  <Mol_ID> (374)
4383

>  <Formula> (374)
C15H22O

>  <MolWeight> (374)
218.33458

>  <Cat> (374)
S9236

>  <Name> (374)
¦Á-Cyperone

>  <Form> (374)
free base

>  <CAS> (374)
473-08-5

$$$$
S9240 Isofraxidin.cdx
csChFnd80/12262214282D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (375)
4386

>  <Formula> (375)
C11H10O5

>  <MolWeight> (375)
222.1941

>  <Cat> (375)
S9240

>  <Name> (375)
Isofraxidin

>  <Form> (375)
free base

>  <CAS> (375)
486-21-5

$$$$
S9275 Isoguanosine.cdx
csChFnd80/12262214282D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (376)
4411

>  <Formula> (376)
C10H13N5O5

>  <MolWeight> (376)
283.24072

>  <Cat> (376)
S9275

>  <Name> (376)
Isoguanosine

>  <Form> (376)
free base

>  <CAS> (376)
1818-71-9

$$$$

csChFnd80/12262214282D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (377)
4412

>  <Formula> (377)
C19H21N3O2S

>  <MolWeight> (377)
355.45394

>  <Cat> (377)
S2070

>  <Name> (377)
ISCK03

>  <Synonyms> (377)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (377)
c-Kit

>  <Form> (377)
Free Base

>  <CAS> (377)
945526-43-2

>  <URL> (377)
http://www.selleck.cn/products/isck03.html

$$$$
S9288 Casticin.cdx
csChFnd80/12262214282D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (382)
4622

>  <Formula> (382)
C21H19N3O5

>  <MolWeight> (382)
393.39266

>  <Cat> (382)
S5667

>  <Name> (382)
Fruquintinib

>  <Target> (382)
VEGFRs

>  <CAS> (382)
1194506-26-7

>  <URL> (382)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/12262214282D

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M  END
>  <Mol_ID> (383)
4627

>  <Formula> (383)
C30H34N4O2

>  <MolWeight> (383)
482.61656

>  <Cat> (383)
S2762

>  <Name> (383)
Alectinib (CH5424802)

>  <Synonyms> (383)
AF-802,RG-7853

>  <Target> (383)
ALK

>  <Form> (383)
Free Base

>  <CAS> (383)
1256580-46-7

>  <URL> (383)
http://www.selleckchem.com/products/ch5424802.html

$$$$

csChFnd80/12262214282D

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M  END
>  <Mol_ID> (384)
4657

>  <Formula> (384)
C29H37N7O5S

>  <MolWeight> (384)
595.71298

>  <Cat> (384)
S5078

>  <Name> (384)
Osimertinib mesylate

>  <Synonyms> (384)
AZD9291 mesylate

>  <Target> (384)
EGFR

>  <Form> (384)
mesylate

>  <CAS> (384)
1421373-66-1

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

$$$$

csChFnd80/12262214282D

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>  <Mol_ID> (385)
4678

>  <Formula> (385)
C16H21Cl2N3

>  <MolWeight> (385)
326.26404

>  <Cat> (385)
S5670

>  <Name> (385)
Chloropyramine hydrochloride

>  <Synonyms> (385)
Halopyramine hydrochloride

>  <Target> (385)
Histamine Receptor

>  <Form> (385)
hydrochloride

>  <CAS> (385)
6170-42-9

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

$$$$

csChFnd80/12262214282D

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4734

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C22H21N3O2

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>  <Name> (386)
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>  <Synonyms> (386)
N/A

>  <Target> (386)
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>  <Form> (386)
Free Base

>  <CAS> (386)
163769-88-8

>  <URL> (386)
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N/A

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VEGFR

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Free Base

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453562-69-1

>  <URL> (387)
http://www.selleckchem.com/products/motesanib-amg-706.html

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N/A

>  <Target> (388)
TGF-beta/Smad

>  <Form> (388)
Free Base

>  <CAS> (388)
1898283-02-7

>  <URL> (388)
http://www.selleckchem.com/products/ly3200882.html

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4797

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CXCR

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2172879-52-4

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http://www.selleckchem.com/products/lit-927.html

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Immunology & Inflamm

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    5.3886    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    1.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077    3.8692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4099    3.1673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4065    1.7661    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7424    1.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7422    3.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9559    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5629    4.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077    5.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9558    4.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    0.3743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  1  0  0  0
  1  2  1  6  0  0  0
 12  1  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  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 17  2  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 11  1  0  0  0  0
 10  9  1  0  0  0  0
  9 16  1  6  0  0  0
 10 11  1  0  0  0  0
 13 10  1  0  0  0  0
 10 15  1  6  0  0  0
 11 12  1  0  0  0  0
 11 18  1  6  0  0  0
M  END
>  <Mol_ID> (391)
4848

>  <Formula> (391)
C15H22O2

>  <MolWeight> (391)
234.33398

>  <Cat> (391)
S9554

>  <Name> (391)
Bakkenolide A

>  <Synonyms> (391)
Fukinanolid

>  <Target> (391)
Others

>  <Form> (391)
Free Base

>  <CAS> (391)
19906-72-0

>  <URL> (391)
http://www.selleckchem.com/products/bakkenolide-a.html

$$$$

csChFnd80/12262214282D

 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> (392)
4858

>  <Formula> (392)
C10H8O5

>  <MolWeight> (392)
208.16752

>  <Cat> (392)
S9503

>  <Name> (392)
Fraxetin

>  <Synonyms> (392)
7,8-dihydroxy-6-methoxy coumarin

>  <Target> (392)
Others

>  <Form> (392)
free base

>  <CAS> (392)
574-84-5

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

$$$$

csChFnd80/12262214282D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 S   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    0.7000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  3  0  0  0  0
  2  4  1  0  0  0  0
M  END
>  <Mol_ID> (393)
5042

>  <Formula> (393)
CNNaS

>  <MolWeight> (393)
81.07217

>  <Cat> (393)
S6281

>  <Name> (393)
Sodium Thiocyanate

>  <Synonyms> (393)
Sodium rhodanide, Sodium sulfocyanate, Sodium rhodanate

>  <Target> (393)
Others

>  <Form> (393)
free base

>  <CAS> (393)
540-72-7

>  <URL> (393)
http://www.selleck.cn/products/sodium-thiocyanate.html

$$$$

csChFnd80/12262214282D

 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
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    4.0145    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6199    7.2258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   15.5199    1.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (394)
5091

>  <Formula> (394)
C25H23FN8O2S2

>  <MolWeight> (394)
550.6309232

>  <Cat> (394)
S7564

>  <Name> (394)
SAR125844

>  <Synonyms> (394)
N/A

>  <Target> (394)
c-Met

>  <Form> (394)
free base

>  <CAS> (394)
1116743-46-4

>  <URL> (394)
http://www.selleck.cn/products/sar125844.html

$$$$

csChFnd80/12262214282D

 35 38  0  0  0  0  0  0  0  0999 V2000
    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    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1204    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4898    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2531    4.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0593    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2364    0.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4516    1.0913    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  5  1  0  0  0  0
  2 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
  6 16  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  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 28  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (395)
5098

>  <Formula> (395)
C24H26FN7O3

>  <MolWeight> (395)
479.5067432

>  <Cat> (395)
S8780

>  <Name> (395)
AZD3229

>  <Synonyms> (395)
N/A

>  <Target> (395)
c-Kit

>  <Form> (395)
free base

>  <CAS> (395)
2248003-60-1

>  <URL> (395)
http://www.selleck.cn/products/azd3229.html

$$$$

csChFnd80/12262214282D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2124    9.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2922    5.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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N/A

>  <Target> (396)
TNF-alpha

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free base

>  <CAS> (396)
2226735-55-1

>  <URL> (396)
http://www.selleck.cn/products/gsk547.html

$$$$

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>  <Name> (397)
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>  <Synonyms> (397)
N/A

>  <Target> (397)
FGFR

>  <Form> (397)
Free Base

>  <CAS> (397)
872511-34-7

>  <URL> (397)
http://www.selleck.cn/products/bgj398-nvp-bgj398.html

$$$$

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>  <Mol_ID> (398)
5154

>  <Formula> (398)
C30H35N7O2

>  <MolWeight> (398)
525.6446

>  <Cat> (398)
S8817

>  <Name> (398)
HS-10296

>  <Synonyms> (398)
N/A

>  <Target> (398)
EGFR

>  <Form> (398)
Free Base

>  <CAS> (398)
1899921-05-1

>  <URL> (398)
http://www.selleck.cn/products/hs-10296.html

$$$$

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5155

>  <Formula> (399)
C22H21F4N3O4

>  <MolWeight> (399)
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>  <Cat> (399)
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>  <Name> (399)
GSK3179106

>  <Synonyms> (399)
N/A

>  <Target> (399)
c-RET

>  <Form> (399)
Free Base

>  <CAS> (399)
1627856-64-7

>  <URL> (399)
http://www.selleck.cn/products/gsk3179106.html

$$$$

csChFnd80/12262214282D

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5190

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C14H12O5

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Khellin

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Amicardine, Corafurone, Methafrone

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Anti-infection

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Free Base

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82-02-0

>  <URL> (400)
http://www.selleck.cn/products/khellin.html

$$$$

csChFnd80/12262214282D

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5212

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C23H26N6O2

>  <MolWeight> (401)
418.49154

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S6414

>  <Name> (401)
Apilimod

>  <Synonyms> (401)
STA-5326

>  <Target> (401)
PI3K

>  <Form> (401)
Free Base

>  <CAS> (401)
541550-19-0

>  <URL> (401)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/12262214282D

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C29H39ClN7O2P

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S8229

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Brigatinib (AP26113)

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N/A

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ALK

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Free Base

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1197953-54-0

>  <URL> (402)
http://www.selleck.cn/products/brigatinib-ap26113.html

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CH7057288

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Trk receptor

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>  <CAS> (403)
2095616-82-1

>  <URL> (403)
http://www.selleck.cn/products/ch7057288.html

$$$$

csChFnd80/12262214282D

 37 41  0  0  0  0  0  0  0  0999 V2000
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   19.1276    3.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5062    3.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6743    5.1177    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
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  2  7  1  0  0  0  0
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 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 12 15  1  0  0  0  0
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 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 21  1  0  0  0  0
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 22 17  1  0  0  0  0
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 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 36 34  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
>  <Mol_ID> (404)
6531

>  <Formula> (404)
C26H21F3N4O4

>  <MolWeight> (404)
510.4645496

>  <Cat> (404)
S6412

>  <Name> (404)
Altiratinib

>  <Synonyms> (404)
DCC-2701

>  <Target> (404)
Trk receptor

>  <Form> (404)
free base

>  <CAS> (404)
1345847-93-9

>  <URL> (404)
http://www.selleck.cn/products/altiratinib.html

$$$$

csChFnd80/12262214282D

 14 14  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
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M  END
>  <Mol_ID> (405)
6537

>  <Formula> (405)
C9H5ClN4

>  <MolWeight> (405)
204.6158

>  <Cat> (405)
S6494

>  <Name> (405)
CCCP

>  <Synonyms> (405)
Carbonyl cyanide m-chlorophenyl hydrazone

>  <Target> (405)
Others

>  <Form> (405)
free base

>  <CAS> (405)
555-60-2

>  <URL> (405)
http://www.selleck.cn/products/cccp.html

$$$$

csChFnd80/12262214282D

 37 40  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  7  9  1  0  0  0  0
  1  7  1  0  0  0  0
 10 11  1  0  0  0  0
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 18 19  1  0  0  0  0
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 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 16 18  1  0  0  0  0
 13 16  1  0  0  0  0
  9 10  1  0  0  0  0
 26 27  1  6  0  0  0
 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (406)
6546

>  <Formula> (406)
C25H25Cl2FN6O3

>  <MolWeight> (406)
547.4088032

>  <Cat> (406)
S6505

>  <Name> (406)
X-376

>  <Synonyms> (406)
N/A

>  <Target> (406)
ALK

>  <Form> (406)
free base

>  <CAS> (406)
1365267-27-1

>  <URL> (406)
http://www.selleck.cn/products/x-376.html

$$$$

csChFnd80/12262214282D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  3  2  0  0  0  0
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  6 10  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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 19 21  1  0  0  0  0
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M  END
>  <Mol_ID> (407)
6550

>  <Formula> (407)
C16H12N2O3

>  <MolWeight> (407)
280.27808

>  <Cat> (407)
S6509

>  <Name> (407)
AG 494

>  <Synonyms> (407)
N/A

>  <Target> (407)
EGFR

>  <Form> (407)
free base

>  <CAS> (407)
133550-35-3

>  <URL> (407)
http://www.selleck.cn/products/ag-494.html

$$$$

csChFnd80/12262214282D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (408)
6552

>  <Formula> (408)
C13H19NO2

>  <MolWeight> (408)
221.29546

>  <Cat> (408)
S6511

>  <Name> (408)
RIPA-56

>  <Synonyms> (408)
N/A

>  <Target> (408)
TNF-alpha

>  <Form> (408)
free base

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>  <CAS> (410)
211555-08-7

>  <URL> (410)
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136831-49-7

>  <URL> (411)
http://www.selleck.cn/products/rg14620.html

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133550-34-2

>  <URL> (412)
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N/A

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c-Met

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free base

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943540-74-7

>  <URL> (418)
http://www.selleck.cn/products/jnj-38877618.html

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6625

>  <Formula> (419)
C26H29Cl4FN6O3

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634.3572632

>  <Cat> (419)
S2934

>  <Name> (419)
Ensartinib (X-396) dihydrochloride

>  <Synonyms> (419)
N/A

>  <Target> (419)
ALK

>  <Form> (419)
Dihydrochloride

>  <CAS> (419)
2137030-98-7

>  <URL> (419)
http://www.selleck.cn/products/ensartinib-dihydrochloride.html

$$$$

csChFnd80/12262214282D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  6  2  0  0  0  0
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  3  7  1  0  0  0  0
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 27  1  1  0  0  0  0
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>  <Mol_ID> (420)
6632

>  <Formula> (420)
C21H16F3N3O3

>  <MolWeight> (420)
415.3652496

>  <Cat> (420)
S6526

>  <Name> (420)
SKLB 610

>  <Synonyms> (420)
N/A

>  <Target> (420)
VEGFR

>  <Form> (420)
Free Base

>  <CAS> (420)
1125780-41-7

>  <URL> (420)
http://www.selleck.cn/products/sklb610.html

$$$$

csChFnd80/12262214282D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
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>  <Mol_ID> (421)
6633

>  <Formula> (421)
C17H16BrN3O2

>  <MolWeight> (421)
374.23184

>  <Cat> (421)
S6530

>  <Name> (421)
EBE-A22

>  <Synonyms> (421)
N/A

>  <Target> (421)
Others

>  <Form> (421)
Free Base

>  <CAS> (421)
229476-53-3

>  <URL> (421)
http://www.selleck.cn/products/ebe-a22.html

$$$$

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FGFR

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1453208-66-6

>  <URL> (422)
http://www.selleck.cn/products/asp5878.html

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6638

>  <Formula> (423)
C16H14BrN3O2

>  <MolWeight> (423)
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>  <Cat> (423)
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>  <Name> (423)
PD153035

>  <Synonyms> (423)
N/A

>  <Target> (423)
EGFR

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Free Base

>  <CAS> (423)
153436-54-5

>  <URL> (423)
http://www.selleck.cn/products/pd153035.html

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C15H11BrN2S

>  <MolWeight> (424)
331.23024

>  <Cat> (424)
S6579

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RCGD423

>  <Synonyms> (424)
N/A

>  <Target> (424)
P-gp

>  <Form> (424)
Free Base

>  <CAS> (424)
108237-91-8

>  <URL> (424)
http://www.selleck.cn/products/rcgd423.html

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csChFnd80/12262214282D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <MolWeight> (425)
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>  <Cat> (425)
S6617

>  <Name> (425)
MSX-122

>  <Synonyms> (425)
N/A

>  <Target> (425)
CXCR

>  <Form> (425)
Free Base

>  <CAS> (425)
897657-95-3

>  <URL> (425)
http://www.selleck.cn/products/msx-122.html

$$$$

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>  <MolWeight> (426)
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>  <Cat> (426)
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>  <Name> (426)
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>  <Synonyms> (426)
N/A

>  <Target> (426)
CXCR

>  <Form> (426)
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>  <CAS> (426)
954126-98-8

>  <URL> (426)
http://www.selleck.cn/products/danirixin.html

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N/A

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HIV Protease

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Free Base

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701213-36-7

>  <URL> (427)
http://www.selleck.cn/products/temsavir-bms-626529.html

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C16H8ClF3N4S

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S6643

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>  <Synonyms> (428)
N/A

>  <Target> (428)
TNF-alpha

>  <Form> (428)
Free Base

>  <CAS> (428)
303997-35-5

>  <URL> (428)
http://www.selleck.cn/products/r-7050.html

$$$$

csChFnd80/12262214282D

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 18  7  1  0  0  0  0
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C18H22F2N4O5S2

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476.5178864

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S6645

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AZD-5069

>  <Synonyms> (429)
N/A

>  <Target> (429)
CXCR

>  <Form> (429)
Free Base

>  <CAS> (429)
878385-84-3

>  <URL> (429)
http://www.selleck.cn/products/azd-5069.html

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csChFnd80/12262214282D

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>  <MolWeight> (430)
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>  <Synonyms> (430)
N/A

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TGF-beta/Smad

>  <Form> (430)
Free Base

>  <CAS> (430)
1099644-42-4

>  <URL> (430)
http://www.selleck.cn/products/itd-1.html

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 21 22  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (431)
6696

>  <Formula> (431)
C21H23ClFNO2

>  <MolWeight> (431)
375.8642232

>  <Cat> (431)
S6727

>  <Name> (431)
AX-024 HCl

>  <Synonyms> (431)
N/A

>  <Target> (431)
CDK

>  <Form> (431)
Hydrochloride

>  <CAS> (431)
1704801-24-0

>  <URL> (431)
http://www.selleck.cn/products/ax-024-hcl.html

$$$$

csChFnd80/12262214282D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 18 17  1  0  0  0  0
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M  END
>  <Mol_ID> (432)
6723

>  <Formula> (432)
C21H23N3O5

>  <MolWeight> (432)
397.42442

>  <Cat> (432)
S8506

>  <Name> (432)
SCH-527123

>  <Synonyms> (432)
N/A

>  <Target> (432)
CXCR

>  <Form> (432)
Free Base

>  <CAS> (432)
473727-83-2

>  <URL> (432)
http://www.selleck.cn/products/sch-527123.html

$$$$

csChFnd80/12262214282D

 39 44  0  0  0  0  0  0  0  0999 V2000
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 39 37  1  0  0  0  0
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M  END
>  <Mol_ID> (433)
6725

>  <Formula> (433)
C29H31N7O3

>  <MolWeight> (433)
525.60154

>  <Cat> (433)
S8781

>  <Name> (433)
Selpercatinib (LOXO-292, ARRY-192)

>  <Synonyms> (433)
N/A

>  <Target> (433)
c-RET

>  <Form> (433)
Free Base

>  <CAS> (433)
2152628-33-4

>  <URL> (433)
http://www.selleck.cn/products/loxo-292.html

$$$$

csChFnd80/12262214282D

 30 34  0  0  0  0  0  0  0  0999 V2000
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  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
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 10  3  1  6  0  0  0
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 27 30  2  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (434)
6726

>  <Formula> (434)
C23H20N6O

>  <MolWeight> (434)
396.4445

>  <Cat> (434)
S8814

>  <Name> (434)
TAS6417

>  <Synonyms> (434)
N/A

>  <Target> (434)
EGFR

>  <Form> (434)
Free Base

>  <CAS> (434)
1661854-97-2

>  <URL> (434)
http://www.selleck.cn/products/tas6417.html

$$$$

csChFnd80/12262214282D

 31 34  0  0  0  0  0  0  0  0999 V2000
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6758

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C31H34N4O2

>  <MolWeight> (439)
494.62726

>  <Cat> (439)
S2234

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>  <Synonyms> (439)
N/A

>  <Target> (439)
TGF-beta/Smad

>  <Form> (439)
Free Base

>  <CAS> (439)
334951-90-5

>  <URL> (439)
http://www.selleck.cn/products/bibf-0775.html

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csChFnd80/12262214282D

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>  <Formula> (440)
C18H18N2O3

>  <MolWeight> (440)
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>  <Cat> (440)
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>  <Synonyms> (440)
VEGFR2 Kinase Inhibitor I 

>  <Target> (440)
VEGFR

>  <Form> (440)
Free Base

>  <CAS> (440)
15966-93-5

>  <URL> (440)
http://www.selleck.cn/products/su5408.html

$$$$

csChFnd80/12262214282D

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M  END
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6770

>  <Formula> (441)
C20H31N3O

>  <MolWeight> (441)
329.47964

>  <Cat> (441)
S6654

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SRI-011381

>  <Synonyms> (441)
N/A

>  <Target> (441)
TGF-beta/Smad

>  <Form> (441)
Free Base

>  <CAS> (441)
1629138-41-5

>  <URL> (441)
http://www.selleck.cn/products/sri-011381.html

$$$$

csChFnd80/12262214282D

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6776

>  <Formula> (442)
C26H30F3N7O2

>  <MolWeight> (442)
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>  <Cat> (442)
S6662

>  <Name> (442)
AST-487

>  <Synonyms> (442)
N/A

>  <Target> (442)
FLT3

>  <Form> (442)
Free Base

>  <CAS> (442)
630124-46-8

>  <URL> (442)
http://www.selleck.cn/products/ast-487.html

$$$$

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6795

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C26H21F2N5O2S

>  <MolWeight> (443)
505.5390464

>  <Cat> (443)
S8882

>  <Name> (443)
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>  <Synonyms> (443)
N/A

>  <Target> (443)
FGFR

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Free Base

>  <CAS> (443)
1430723-35-5

>  <URL> (443)
http://www.selleck.cn/products/odm-203.html

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csChFnd80/12262214282D

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6814

>  <Formula> (444)
C29H28F3N5O2

>  <MolWeight> (444)
535.5601296

>  <Cat> (444)
S2213

>  <Name> (444)
AMG-47a

>  <Synonyms> (444)
N/A

>  <Target> (444)
Src

>  <Form> (444)
Free Base

>  <CAS> (444)
882663-88-9

>  <URL> (444)
http://www.selleck.cn/products/.html

$$$$

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6816

>  <Formula> (445)
C18H16N2O3

>  <MolWeight> (445)
308.33124

>  <Cat> (445)
S2307

>  <Name> (445)
Roquinimex

>  <Synonyms> (445)
FCF 89, Linomide, LS 2616

>  <Target> (445)
Immunology & Inflammation related

>  <Form> (445)
Free Base

>  <CAS> (445)
84088-42-6

>  <URL> (445)
http://www.selleck.cn/products/roquinimex.html

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csChFnd80/12262214282D

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>  <Mol_ID> (446)
6827

>  <Formula> (446)
C13H18N2O2

>  <MolWeight> (446)
234.29422

>  <Cat> (446)
S2465

>  <Name> (446)
CPI-1189

>  <Synonyms> (446)
REN 1654,REN 1189

>  <Target> (446)
TNF-alpha

>  <Form> (446)
Free Base

>  <CAS> (446)
183619-38-7

>  <URL> (446)
http://www.selleck.cn/products/cpi-1189.html

$$$$

csChFnd80/12262214282D

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1646839-59-9

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1648843-04-2

>  <URL> (448)
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1550053-02-5

>  <URL> (449)
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>  <MolWeight> (450)
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>  <URL> (450)
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 33 38  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  2  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (451)
6872

>  <Formula> (451)
C28H27ClN3NaO5

>  <MolWeight> (451)
543.97385

>  <Cat> (451)
S6776

>  <Name> (451)
TM5275 Sodium

>  <Synonyms> (451)
TM 5275 sodium salt

>  <Target> (451)
PAI-1

>  <Form> (451)
Sodium

>  <CAS> (451)
1103926-82-4

>  <URL> (451)
http://www.selleckchem.com/products/tm5275-sodium.html

$$$$

csChFnd80/12262214282D

 30 32  0  0  0  0  0  0  0  0999 V2000
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   18.4946    4.4886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8528    2.8171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7613    2.1145    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
 11 15  2  0  0  0  0
 13 22  1  0  0  0  0
 13 23  2  0  0  0  0
 14 17  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 24  1  0  0  0  0
 18 26  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 21 25  1  0  0  0  0
 22 29  2  0  0  0  0
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 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (452)
6874

>  <Formula> (452)
C21H17ClN2O6

>  <MolWeight> (452)
428.82248

>  <Cat> (452)
S6778

>  <Name> (452)
TM5441

>  <Synonyms> (452)
N/A

>  <Target> (452)
PAI-1

>  <Form> (452)
Free Base

>  <CAS> (452)
1190221-43-2

>  <URL> (452)
http://www.selleckchem.com/products/tm5441.html

$$$$

csChFnd80/12262214282D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  1 18  1  0  0  0  0
  2  7  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (453)
6893

>  <Formula> (453)
C15H10FNO

>  <MolWeight> (453)
239.2444032

>  <Cat> (453)
S6808

>  <Name> (453)
SU5205

>  <Synonyms> (453)
N/A

>  <Target> (453)
VEGFR

>  <Form> (453)
Free Base

>  <CAS> (453)
3476-86-6

>  <URL> (453)
http://www.selleckchem.com/products/su-5205.html

$$$$

csChFnd80/12262214282D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  1  7  2  0  0  0  0
  2 13  1  0  0  0  0
  2 19  1  0  0  0  0
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  5  7  1  0  0  0  0
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 13 16  2  0  0  0  0
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M  END
>  <Mol_ID> (454)
6894

>  <Formula> (454)
C16H13NO2

>  <MolWeight> (454)
251.27992

>  <Cat> (454)
S6809

>  <Name> (454)
SU5214

>  <Synonyms> (454)
N/A

>  <Target> (454)
EGFR

>  <Form> (454)
Free Base

>  <CAS> (454)
186611-04-1

>  <URL> (454)
http://www.selleckchem.com/products/su-5214.html

$$$$

csChFnd80/12262214282D

 43 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (455)
6895

>  <Formula> (455)
C32H39N7O4

>  <MolWeight> (455)
585.69656

>  <Cat> (455)
S6813

>  <Name> (455)
Mobocertinib (TAK788)

>  <Synonyms> (455)
AP32788

>  <Target> (455)
EGFR

>  <Form> (455)
Free Base

>  <CAS> (455)
1847461-43-1

>  <URL> (455)
http://www.selleckchem.com/products/tak788.html

$$$$

csChFnd80/12262214282D

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  9 10  2  0  0  0  0
  1 10  1  0  0  0  0
  5 10  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
  1 14  2  0  0  0  0
  2 11  2  0  0  0  0
M  END
>  <Mol_ID> (456)
6903

>  <Formula> (456)
C12H8N2

>  <MolWeight> (456)
180.20532

>  <Cat> (456)
S6830

>  <Name> (456)
o-Phenanthroline

>  <Synonyms> (456)
1,10-Phenanthroline, phen

>  <Target> (456)
MMP

>  <Form> (456)
Free Base

>  <CAS> (456)
66-71-7

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

$$$$

csChFnd80/12262214282D

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.7935    0.8293    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7972    8.3744    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5086    3.9468    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2220    5.5744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8549    4.1407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0712    7.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7972    5.5744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6425    6.2407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5846    6.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4812    3.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5846    7.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0096    6.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3332    5.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0096    7.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6511    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0673    6.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3332    8.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0646    7.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8549    5.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1723    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0299    2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4300    5.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0722    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9297    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4510    0.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2176    6.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9408    5.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953    7.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 21  1  0  0  0  0
  4 12  2  0  0  0  0
  5 19  2  0  0  0  0
  6 26  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 19  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  2  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 26  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (457)
6911

>  <Formula> (457)
C21H16ClFN2O3S

>  <MolWeight> (457)
430.8797432

>  <Cat> (457)
S8954

>  <Name> (457)
STING agonist-1 (G10)

>  <Synonyms> (457)
N/A

>  <Target> (457)
STING

>  <Form> (457)
Free Base

>  <CAS> (457)
702662-50-8

>  <URL> (457)
http://www.selleckchem.com/products/sting-agonist-1-g10.html

$$$$

csChFnd80/12262214282D

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3002    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0002    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  2 11  2  0  0  0  0
  3 14  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  8  6  1  0  0  0  0
  6 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  1  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (458)
6919

>  <Formula> (458)
C18H18N2O5

>  <MolWeight> (458)
342.34592

>  <Cat> (458)
S0129

>  <Name> (458)
SB-297006

>  <Synonyms> (458)
N/A

>  <Target> (458)
CCR

>  <Form> (458)
Free Base

>  <CAS> (458)
58816-69-6

>  <URL> (458)
http://www.selleckchem.com/products/sb297006.html

$$$$

csChFnd80/12262214282D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.5124    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    7.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    5.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    5.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    7.5126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.5126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4620    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1620    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    7.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    8.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    7.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
  4 13  2  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 17  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 23  1  0  0  0  0
  8 20  2  0  0  0  0
  8 30  1  0  0  0  0
  9 23  1  0  0  0  0
  9 30  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 27  1  0  0  0  0
 24 29  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (459)
6933

>  <Formula> (459)
C21H18F3N5O

>  <MolWeight> (459)
413.3957296

>  <Cat> (459)
S0360

>  <Name> (459)
EGFR?Inhibitor

>  <Synonyms> (459)
N/A

>  <Target> (459)
EGFR

>  <Form> (459)
Free Base

>  <CAS> (459)
879127-07-8

>  <URL> (459)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/12262214282D

 34 37  0  0  0  0  0  0  0  0999 V2000
    3.6374    4.9001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    3.6877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    6.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997   14.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6618   11.4737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    9.8002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873   11.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371   11.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4789   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6618   13.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247   14.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    9.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247   11.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121   11.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8789   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748   11.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748   14.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  4 28  1  0  0  0  0
  4 32  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 17  1  0  0  0  0
  7 20  1  0  0  0  0
  8 19  1  0  0  0  0
  8 31  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  2  0  0  0  0
 10 31  2  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 27  1  0  0  0  0
 18 25  2  0  0  0  0
 19 26  2  0  0  0  0
 20 21  2  0  0  0  0
 20 30  1  0  0  0  0
 22 28  2  0  0  0  0
 25 26  1  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <Mol_ID> (460)
6942

>  <Formula> (460)
C24H28N6O3S

>  <MolWeight> (460)
480.58252

>  <Cat> (460)
S0487

>  <Name> (460)
Sulfatinib

>  <Synonyms> (460)
HMPL-012, Sufatinib, Surfatinib

>  <Target> (460)
CSF-1R

>  <Form> (460)
Free Base

>  <CAS> (460)
1308672-74-3

>  <URL> (460)
http://www.selleckchem.com/products/sulfatinib.html

$$$$

csChFnd80/12262214282D

 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
    5.9792    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    3.5575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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6944

>  <Formula> (461)
C14H10BrNOS

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320.2043

>  <Cat> (461)
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>  <Synonyms> (461)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (461)
TGF-beta/Smad

>  <Form> (461)
Free Base

>  <CAS> (461)
100874-08-6

>  <URL> (461)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/12262214282D

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M  END
>  <Mol_ID> (462)
6960

>  <Formula> (462)
C18H14N2O3

>  <MolWeight> (462)
306.31536

>  <Cat> (462)
S6805

>  <Name> (462)
Tyrphostin AG-528

>  <Synonyms> (462)
Tyrphostin B66, AG 528

>  <Target> (462)
EGFR

>  <Form> (462)
Free Base

>  <CAS> (462)
133550-49-9

>  <URL> (462)
http://www.selleckchem.com/products/tyrphostin-ag-528.html

$$$$

csChFnd80/12262214282D

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>  <Mol_ID> (463)
6970

>  <Formula> (463)
C23H26FN5O3

>  <MolWeight> (463)
439.4826432

>  <Cat> (463)
S6843

>  <Name> (463)
Vorolanib

>  <Synonyms> (463)
CM082

>  <Target> (463)
VEGFR

>  <Form> (463)
Free Base

>  <CAS> (463)
1013920-15-4

>  <URL> (463)
http://www.selleckchem.com/products/vorolanib.html

$$$$

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M  END
>  <Mol_ID> (464)
6974

>  <Formula> (464)
C24H24N4O5S

>  <MolWeight> (464)
480.53616

>  <Cat> (464)
S7688

>  <Name> (464)
Ki20227

>  <Synonyms> (464)
KI-20227

>  <Target> (464)
CSF-1R

>  <Form> (464)
Free Base

>  <CAS> (464)
623142-96-1

>  <URL> (464)
http://www.selleckchem.com/products/ki20227.html

$$$$

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909910-43-6

>  <URL> (465)
http://www.selleckchem.com/products/a-83-01.html

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>  <Formula> (466)
C45H52ClN9O8S

>  <MolWeight> (466)
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>  <Cat> (466)
S0072

>  <Name> (466)
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>  <Target> (466)
ALK

>  <Form> (466)
free base

>  <CAS> (466)
2229036-62-6

>  <URL> (466)
http://www.selleckchem.com/products/ms4078.html

$$$$

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>  <Cat> (467)
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>  <CAS> (467)
1286279-29-5

>  <URL> (467)
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$$$$

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 35 30  1  0  0  0  0
M  END
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6998

>  <Formula> (468)
C24H27F2N5O4

>  <MolWeight> (468)
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>  <Cat> (468)
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>  <Name> (468)
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>  <Target> (468)
FGFR

>  <Form> (468)
free base

>  <CAS> (468)
1513857-77-6

>  <URL> (468)
http://www.selleckchem.com/products/pemigatinib-incb054828.html

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csChFnd80/12262214282D

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M  END
>  <Mol_ID> (469)
6999

>  <Formula> (469)
C16H10ClF6NO2

>  <MolWeight> (469)
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>  <Cat> (469)
S0094

>  <Name> (469)
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>  <Target> (469)
ROR

>  <Form> (469)
free base

>  <CAS> (469)
303126-97-8

>  <URL> (469)
http://www.selleckchem.com/products/sr0987.html

$$$$

csChFnd80/12262214282D

 30 34  0  0  0  0  0  0  0  0999 V2000
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7005

>  <Formula> (470)
C25H26ClN3O

>  <MolWeight> (470)
419.94644

>  <Cat> (470)
S0135

>  <Name> (470)
JMS-17-2

>  <Target> (470)
GPR

>  <Form> (470)
free base

>  <CAS> (470)
1380392-05-1

>  <URL> (470)
http://www.selleckchem.com/products/jms-17-2.html

$$$$

csChFnd80/12262214282D

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>  <Mol_ID> (471)
7018

>  <Formula> (471)
C15H9Cl2NO

>  <MolWeight> (471)
290.14406

>  <Cat> (471)
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>  <Name> (471)
SU 5201

>  <Target> (471)
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>  <Form> (471)
free base

>  <CAS> (471)
114727-43-4

>  <URL> (471)
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csChFnd80/12262214282D

 19 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (472)
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>  <Formula> (472)
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>  <MolWeight> (472)
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>  <Cat> (472)
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>  <Name> (472)
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>  <Target> (472)
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>  <Form> (472)
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>  <CAS> (472)
1055412-47-9

>  <URL> (472)
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  8 13  1  0  0  0  0
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M  END
>  <Mol_ID> (473)
7031

>  <Formula> (473)
C15H17ClN6O3

>  <MolWeight> (473)
364.78688

>  <Cat> (473)
S0377

>  <Name> (473)
CS-2660 (JNJ-38158471)

>  <Target> (473)
VEGFR

>  <Form> (473)
free base

>  <CAS> (473)
951151-97-6

>  <URL> (473)
http://www.selleckchem.com/products/jnj-38158471.html

$$$$

csChFnd80/12262214282D

 28 30  0  0  0  0  0  0  0  0999 V2000
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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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10  1  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (474)
7052

>  <Formula> (474)
C23H40N2O3

>  <MolWeight> (474)
392.5753

>  <Cat> (474)
S0752

>  <Name> (474)
AUDA

>  <Target> (474)
Epoxide Hydrolase

>  <Form> (474)
free base

>  <CAS> (474)
479413-70-2

>  <URL> (474)
http://www.selleckchem.com/products/auda.html

$$$$

csChFnd80/12262214282D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  8  2  0  0  0  0
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  3  6  1  0  0  0  0
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  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
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  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
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 10 13  2  0  0  0  0
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 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
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 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (475)
7054

>  <Formula> (475)
C17H17N3O

>  <MolWeight> (475)
279.33638

>  <Cat> (475)
S0777

>  <Name> (475)
APX-115 free base

>  <Target> (475)
NADPH-oxidase

>  <Form> (475)
free base

>  <CAS> (475)
1270084-92-8

>  <URL> (475)
http://www.selleckchem.com/products/apx-115-free-base.html

$$$$

csChFnd80/12262214282D

 41 42  0  0  0  0  0  0  0  0999 V2000
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 37 40  2  0  0  0  0
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M  END
>  <Mol_ID> (476)
7055

>  <Formula> (476)
C25H34N6O8S2

>  <MolWeight> (476)
610.70286

>  <Cat> (476)
S0785

>  <Name> (476)
Apilimod mesylate

>  <Target> (476)
Interleukins

>  <Form> (476)
mesylate

>  <CAS> (476)
870087-36-8

>  <URL> (476)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/12262214282D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  6  0  0  0
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 11 12  1  0  0  0  0
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 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (477)
7056

>  <Formula> (477)
C11H15ClN4O4

>  <MolWeight> (477)
302.7142

>  <Cat> (477)
S0787

>  <Name> (477)
3-Deazaadenosine hydrochloride

>  <Target> (477)
TNF-alpha

>  <Form> (477)
hydrochloride

>  <CAS> (477)
86583-19-9

>  <URL> (477)
http://www.selleckchem.com/products/3-deazaadenosine-hydrochloride.html

$$$$

csChFnd80/12262214282D

 40 43  0  0  0  0  0  0  0  0999 V2000
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    4.8455    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.0583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8101    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0183    7.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    9.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2266    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    7.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5380    6.3162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3316    6.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6430    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    8.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9287    6.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    8.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    4.8523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  1 30  1  1  0  0  0
 10 31  1  1  0  0  0
  9 32  1  1  0  0  0
 12 33  1  1  0  0  0
 21 34  1  1  0  0  0
  2 35  1  6  0  0  0
  5 36  1  6  0  0  0
 11 37  1  6  0  0  0
 17 38  1  6  0  0  0
 21 39  1  6  0  0  0
 16 40  1  6  0  0  0
M  END
>  <Mol_ID> (478)
7064

>  <Formula> (478)
C30H48O7

>  <MolWeight> (478)
520.69792

>  <Cat> (478)
S0949

>  <Name> (478)
Cucurbitacin IIb

>  <Target> (478)
STAT

>  <Form> (478)
free base

>  <CAS> (478)
50298-90-3

>  <URL> (478)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/12262214282D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9854    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  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  6  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (479)
7074

>  <Formula> (479)
C10H14O

>  <MolWeight> (479)
150.21756

>  <Cat> (479)
S3205

>  <Name> (479)
Perillaldehyde

>  <Target> (479)
AhR

>  <Form> (479)
free base

>  <CAS> (479)
18031-40-8

>  <URL> (479)
http://www.selleckchem.com/products/perillaldehyde.html

$$$$

csChFnd80/12262214282D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4250    5.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2126    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
  9  3  1  6  0  0  0
 10  4  1  1  0  0  0
 11  5  1  6  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (480)
7084

>  <Formula> (480)
C7H14O6

>  <MolWeight> (480)
194.18246

>  <Cat> (480)
S3223

>  <Name> (480)
L-Quebrachitol

>  <Target> (480)
TGF-beta/Smad

>  <Form> (480)
free base

>  <CAS> (480)
642-38-6

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

$$$$

csChFnd80/12262214282D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  8 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (481)
7095

>  <Formula> (481)
C18H20O5

>  <MolWeight> (481)
316.3484

>  <Cat> (481)
S3242

>  <Name> (481)
Loureirin B

>  <Target> (481)
PAI-1

>  <Form> (481)
free base

>  <CAS> (481)
119425-90-0

>  <URL> (481)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/12262214282D

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4927    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    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    4.1879    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  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
  9 13  1  6  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 19  2  0  0  0  0
 19 14  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  2  0  0  0  0
  8 27  1  0  0  0  0
M  END
>  <Mol_ID> (482)
7111

>  <Formula> (482)
C21H26O6

>  <MolWeight> (482)
374.42754

>  <Cat> (482)
S3261

>  <Name> (482)
Myrislignan

>  <Target> (482)
Interleukins

>  <Form> (482)
free base

>  <CAS> (482)
171485-39-5

>  <URL> (482)
http://www.selleckchem.com/products/myrislignan.html

$$$$

csChFnd80/12262214282D

 19 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3119    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5223    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7328    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9432    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1536    4.8757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3660    4.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5785    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1552    6.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 11 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  1  6  0  0  0
M  END
>  <Mol_ID> (483)
7137

>  <Formula> (483)
C17H24O2

>  <MolWeight> (483)
260.37126

>  <Cat> (483)
S3292

>  <Name> (483)
Falcarindiol

>  <Target> (483)
NOS

>  <Form> (483)
free base

>  <CAS> (483)
225110-25-8

>  <URL> (483)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/12262214282D

 30 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
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.7976    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3462    6.2694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9539    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845    5.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1503    3.6325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7660    5.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6985    6.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.9000    0.0000 O   0  0  0  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
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0049    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
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  4  6  2  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  4  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 10  1  0  0  0  0
 10 14  1  1  0  0  0
  9 15  1  1  0  0  0
 11 16  1  1  0  0  0
 11 17  1  6  0  0  0
 16 18  1  0  0  0  0
  8 19  1  1  0  0  0
 19 20  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
 20 21  1  1  0  0  0
 25 26  1  6  0  0  0
 23 27  1  6  0  0  0
 24 28  1  1  0  0  0
 22 29  1  1  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (484)
7138

>  <Formula> (484)
C17H24O11

>  <MolWeight> (484)
404.36586

>  <Cat> (484)
S3293

>  <Name> (484)
Gardenoside

>  <Target> (484)
Interleukins

>  <Form> (484)
free base

>  <CAS> (484)
24512-62-7

>  <URL> (484)
http://www.selleckchem.com/products/gardenoside.html

$$$$

csChFnd80/12262214282D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0084    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291   12.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (485)
7144

>  <Formula> (485)
C19H18NO4+

>  <MolWeight> (485)
324.35052

>  <Cat> (485)
S3299

>  <Name> (485)
Demethyleneberberine

>  <Target> (485)
Peroxidases

>  <Form> (485)
free base

>  <CAS> (485)
25459-91-0

>  <URL> (485)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/12262214282D

 24 29  0  0  0  0  0  0  0  0999 V2000
    2.4249    9.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3462   11.9852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9539   12.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845   10.8525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.7157    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  2 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  3  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (486)
7149

>  <Formula> (486)
C19H17NO4

>  <MolWeight> (486)
323.34258

>  <Cat> (486)
S3304

>  <Name> (486)
Stylopine (Trahydocoptisine)

>  <Target> (486)
NOS

>  <Form> (486)
free base

>  <CAS> (486)
4312-32-7

>  <URL> (486)
http://www.selleckchem.com/products/stylopine-trahydocoptisine-.html

$$$$

csChFnd80/12262214282D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  7  8  2  0  0  0  0
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  4  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 10  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
 13 14  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 31  1  0  0  0  0
 24 27  1  0  0  0  0
 13 21  1  0  0  0  0
  7 13  1  0  0  0  0
  2  3  1  0  0  0  0
  1 34  1  0  0  0  0
M  END
>  <Mol_ID> (487)
7161

>  <Formula> (487)
C27H33ClN2O4

>  <MolWeight> (487)
485.01492

>  <Cat> (487)
S6760

>  <Name> (487)
LM22B-10

>  <Target> (487)
Trk receptor

>  <Form> (487)
free base

>  <CAS> (487)
342777-54-2

>  <URL> (487)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/12262214282D

 31 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (488)
7162

>  <Formula> (488)
C20H15F3N8

>  <MolWeight> (488)
424.3819096

>  <Cat> (488)
S6762

>  <Name> (488)
Bozitinib (PLB-1001)

>  <Target> (488)
c-Met

>  <Form> (488)
free base

>  <CAS> (488)
1440964-89-5

>  <URL> (488)
http://www.selleckchem.com/products/bozitinib.html

$$$$

csChFnd80/12262214282D

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>  <Mol_ID> (489)
7170

>  <Formula> (489)
C24H28N6O

>  <MolWeight> (489)
416.51872

>  <Cat> (489)
S6850

>  <Name> (489)
NE 52-QQ57

>  <Target> (489)
GPR

>  <Form> (489)
free base

>  <CAS> (489)
1401728-56-0

>  <URL> (489)
http://www.selleckchem.com/products/ne-52-qq57.html

$$$$

csChFnd80/12262214282D

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>  <Mol_ID> (490)
7176

>  <Formula> (490)
C29H35F3N8O5S

>  <MolWeight> (490)
664.6990096

>  <Cat> (490)
S6868

>  <Name> (490)
Alflutinib (AST2818) mesylate

>  <Target> (490)
EGFR

>  <Form> (490)
mesylate

>  <CAS> (490)
1869057-83-9

>  <URL> (490)
http://www.selleckchem.com/products/alflutinib-ast2818-.html

$$$$

csChFnd80/12262214282D

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1394820-69-9

>  <URL> (491)
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>  <Formula> (492)
C20H12N2OS4

>  <MolWeight> (492)
424.58208

>  <Cat> (492)
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>  <Name> (492)
RCM-1

>  <Target> (492)
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>  <Form> (492)
free base

>  <CAS> (492)
339163-65-4

>  <URL> (492)
http://www.selleckchem.com/products/rcm-1.html

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7201

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free base

>  <CAS> (493)
497223-25-3

>  <URL> (493)
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>  <Formula> (494)
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>  <MolWeight> (494)
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>  <Cat> (494)
S8965

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>  <Target> (494)
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>  <Form> (494)
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>  <CAS> (494)
2408648-20-2

>  <URL> (494)
http://www.selleckchem.com/products/bo-264.html

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M  ISO  1  30   2
M  ISO  1  31   2
M  ISO  1  32   2
M  END
>  <Mol_ID> (495)
7234

>  <Formula> (495)
C21H13ClD3F3N4O3

>  <MolWeight> (495)
467.843434934

>  <Cat> (495)
S9621

>  <Name> (495)
Donafenib (Sorafenib D3)

>  <Target> (495)
Raf

>  <Form> (495)
free base

>  <CAS> (495)
1130115-44-4

>  <URL> (495)
http://www.selleckchem.com/products/donafenib-sorafenib-d3.html

$$$$

csChFnd80/12262214282D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (496)
7241

>  <Formula> (496)
C27H27F2N5O3

>  <MolWeight> (496)
507.5317864

>  <Cat> (496)
S9660

>  <Name> (496)
Remibrutinib (LOU064)

>  <Target> (496)
BTK

>  <Form> (496)
free base

>  <CAS> (496)
1787294-07-8

>  <URL> (496)
http://www.selleckchem.com/products/remibrutinib-lou064.html

$$$$

csChFnd80/12262214282D

 35 39  0  0  0  0  0  0  0  0999 V2000
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 15  7  1  1  0  0  0
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 34 15  1  0  0  0  0
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M  END
>  <Mol_ID> (497)
7242

>  <Formula> (497)
C28H40N6O

>  <MolWeight> (497)
476.6568

>  <Cat> (497)
S9662

>  <Name> (497)
UNC2025

>  <Target> (497)
FLT3

>  <Form> (497)
free base

>  <CAS> (497)
1429881-91-3

>  <URL> (497)
http://www.selleckchem.com/products/unc2025.html

$$$$

csChFnd80/12262214282D

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>  <Mol_ID> (498)
7244

>  <Formula> (498)
C97H144FN33O19S2

>  <MolWeight> (498)
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>  <Cat> (498)
S9665

>  <Name> (498)
Motixafortide (BL-8040)

>  <Target> (498)
CXCR

>  <Form> (498)
free base

>  <CAS> (498)
664334-36-5

>  <URL> (498)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/12262214282D

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M  END
>  <Mol_ID> (499)
7264

>  <Formula> (499)
C17H15N5

>  <MolWeight> (499)
289.3345

>  <Cat> (499)
S0540

>  <Name> (499)
BAY-474

>  <Synonyms> (499)
N/A

>  <Target> (499)
c-Met

>  <Form> (499)
Free Base

>  <CAS> (499)
1033767-86-0

>  <URL> (499)
https://www.selleckchem.com/products/bay-474.html

$$$$

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M  END
>  <Mol_ID> (500)
7274

>  <Formula> (500)
C21H18N2O

>  <MolWeight> (500)
314.38042

>  <Cat> (500)
S0765

>  <Name> (500)
MAZ51

>  <Synonyms> (500)
N/A

>  <Target> (500)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (500)
Free Base

>  <CAS> (500)
163655-37-6

>  <URL> (500)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/12262214282D

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M  END
>  <Mol_ID> (501)
7295

>  <Formula> (501)
C53H90O22

>  <MolWeight> (501)
1079.2685

>  <Cat> (501)
S9208

>  <Name> (501)
Ginsenoside Rb3

>  <Synonyms> (501)
N/A

>  <Target> (501)
others

>  <Form> (501)
Free Base

>  <CAS> (501)
68406-26-8

>  <URL> (501)
https://www.selleckchem.com/products/ginsenoside-rb3.html

$$$$

csChFnd80/12262214282D

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M  END
>  <Mol_ID> (502)
7305

>  <Formula> (502)
C53H90O22

>  <MolWeight> (502)
1079.2685

>  <Cat> (502)
S9266

>  <Name> (502)
Ginsenoside Rc

>  <Synonyms> (502)
N/A

>  <Target> (502)
Immunology & Inflammation related

>  <Form> (502)
Free Base

>  <CAS> (502)
11021-14-0

>  <URL> (502)
https://www.selleckchem.com/products/ginsenoside-rc.html

$$$$

csChFnd80/12262214282D

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M  END
>  <Mol_ID> (503)
7319

>  <Formula> (503)
C41H28O27

>  <MolWeight> (503)
952.64482

>  <Cat> (503)
S9396

>  <Name> (503)
Geraniin

>  <Synonyms> (503)
N/A

>  <Target> (503)
others

>  <Form> (503)
Free Base

>  <CAS> (503)
60976-49-0

>  <URL> (503)
https://www.selleckchem.com/products/geraniin.html

$$$$

csChFnd80/12262214282D

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M  END
>  <Mol_ID> (504)
7347

>  <Formula> (504)
C16H14IN3O2

>  <MolWeight> (504)
407.20573

>  <Cat> (504)
S0151

>  <Name> (504)
AG-1557

>  <Synonyms> (504)
N/A

>  <Target> (504)
EGFR

>  <Form> (504)
Free Base

>  <CAS> (504)
189290-58-2

>  <URL> (504)
https://www.selleckchem.com/products/ag-1557.html

$$$$

csChFnd80/12262214282D

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  2  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (505)
7349

>  <Formula> (505)
C16H15FN2O4

>  <MolWeight> (505)
318.2997032

>  <Cat> (505)
S0153

>  <Name> (505)
SJ000291942

>  <Synonyms> (505)
N/A

>  <Target> (505)
TGF-beta/Smad

>  <Form> (505)
Free Base

>  <CAS> (505)
425613-09-8

>  <URL> (505)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/12262214282D

 25 29  0  0  0  0  0  0  0  0999 V2000
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  2 25  1  0  0  0  0
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  6  9  1  0  0  0  0
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 10 12  1  0  0  0  0
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 18 19  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (506)
7365

>  <Formula> (506)
C19H11N3OS2

>  <MolWeight> (506)
361.44014

>  <Cat> (506)
S0289

>  <Name> (506)
KIN1148

>  <Synonyms> (506)
N/A

>  <Target> (506)
anti-infection

>  <Form> (506)
Free Base

>  <CAS> (506)
1428729-56-9

>  <URL> (506)
https://www.selleckchem.com/products/kin1148.html

$$$$

csChFnd80/12262214282D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (507)
7366

>  <Formula> (507)
C17H15NO2

>  <MolWeight> (507)
265.3065

>  <Cat> (507)
S0290

>  <Name> (507)
SU5204

>  <Synonyms> (507)
N/A

>  <Target> (507)
VEGFR. HER2

>  <Form> (507)
Free Base

>  <CAS> (507)
186611-11-0

>  <URL> (507)
https://www.selleckchem.com/products/su5204.html

$$$$

csChFnd80/12262214282D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (508)
7374

>  <Formula> (508)
C31H29FN4O5

>  <MolWeight> (508)
556.5841632

>  <Cat> (508)
S0361

>  <Name> (508)
AMG-1

>  <Synonyms> (508)
c-Met/RON Dual Kinase Inhibitor, RON-IN-1

>  <Target> (508)
c-Met

>  <Form> (508)
Free Base

>  <CAS> (508)
913376-84-8

>  <URL> (508)
https://www.selleckchem.com/products/amg-1.html

$$$$

csChFnd80/12262214282D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (509)
7393

>  <Formula> (509)
C16H16N4

>  <MolWeight> (509)
264.32504

>  <Cat> (509)
S0771

>  <Name> (509)
BRD6989

>  <Synonyms> (509)
N/A

>  <Target> (509)
CDK. Interleukins.

>  <Form> (509)
Free Base

>  <CAS> (509)
642008-81-9

>  <URL> (509)
https://www.selleckchem.com/products/brd6989.html

$$$$

csChFnd80/12262214282D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.7390    4.6778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0572    4.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    6.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9579    8.6183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9579    6.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1701    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3913    5.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8702    8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8702    6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4048    4.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7659    2.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2702    8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2702    6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9702    7.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4806    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1383    0.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
  2 16  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 18  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (510)
7395

>  <Formula> (510)
C22H16N2O2

>  <MolWeight> (510)
340.37464

>  <Cat> (510)
S0775

>  <Name> (510)
IRAK4-IN-4

>  <Synonyms> (510)
N/A

>  <Target> (510)
IRAK, cGAS

>  <Form> (510)
Free Base

>  <CAS> (510)
1850276-58-2

>  <URL> (510)
https://www.selleckchem.com/products/irak4-in-4.html

$$$$

csChFnd80/12262214282D

 26 30  0  0  0  0  0  0  0  0999 V2000
    8.0935    5.3677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9408    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6068    7.7431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285    1.2462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7442    4.0460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7220    5.0866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2671    1.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    1.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0903    2.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9527    3.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2797    3.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8299    0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5336    2.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9072    6.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4861    8.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8773    8.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1583    6.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3 22  2  0  0  0  0
  4  8  2  0  0  0  0
  4 14  1  0  0  0  0
  5 10  2  0  0  0  0
  5 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (511)
7397

>  <Formula> (511)
C20H11N3O3

>  <MolWeight> (511)
341.31964

>  <Cat> (511)
S0781

>  <Name> (511)
IQ 3

>  <Synonyms> (511)
N/A

>  <Target> (511)
JNK. NF-¦ÊB. TNF-¦Á. IL-6

>  <Form> (511)
Free Base

>  <CAS> (511)
312538-03-7

>  <URL> (511)
https://www.selleckchem.com/products/iq-3.html

$$$$

csChFnd80/12262214282D

 35 37  0  0  0  0  0  0  0  0999 V2000
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    1.2124    0.0000    0.0000 O   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
    8.4870    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 N   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  3  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 20  1  0  0  0  0
  2 31  1  0  0  0  0
  3 24  1  0  0  0  0
  3 32  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  7 14  2  0  0  0  0
  7 28  1  0  0  0  0
  8 23  1  0  0  0  0
  8 30  2  0  0  0  0
  9 28  3  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  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 21  2  0  0  0  0
 17 20  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 19 25  1  0  0  0  0
 20 24  2  0  0  0  0
 21 26  1  0  0  0  0
 22 24  1  0  0  0  0
 23 27  1  0  0  0  0
 25 29  2  0  0  0  0
 26 27  2  0  0  0  0
 29 30  1  0  0  0  0
 14  5  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
M  END
>  <Mol_ID> (512)
7403

>  <Formula> (512)
C26H30N6O3

>  <MolWeight> (512)
474.5548

>  <Cat> (512)
S0826

>  <Name> (512)
A-740003

>  <Synonyms> (512)
N/A

>  <Target> (512)
P2 Receptor. Interleukins

>  <Form> (512)
Free Base

>  <CAS> (512)
861393-28-4

>  <URL> (512)
https://www.selleckchem.com/products/a-740003.html

$$$$

csChFnd80/12262214282D

 24 24  0  0  0  0  0  0  0  0999 V2000
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    6.0623    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3369    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  2  0  0  0  0
  2 17  2  0  0  0  0
  3 18  2  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 16  1  0  0  0  0
  7 19  1  0  0  0  0
  8 17  1  0  0  0  0
  8 20  1  0  0  0  0
  9 18  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 18  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (513)
7404

>  <Formula> (513)
C15H21N3O6

>  <MolWeight> (513)
339.34374

>  <Cat> (513)
S0827

>  <Name> (513)
LM22A-4

>  <Synonyms> (513)
LM 22A4

>  <Target> (513)
Trk receptor

>  <Form> (513)
Free Base

>  <CAS> (513)
37988-18-4

>  <URL> (513)
https://www.selleckchem.com/products/lm-22a4.html

$$$$

csChFnd80/12262214282D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    7.1757    2.5531    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7507    6.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6259    0.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4507    0.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7508    5.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1756    5.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3881    4.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6005    5.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3881    3.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8129    4.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6006    2.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8130    3.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 24  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  2  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (514)
7405

>  <Formula> (514)
C21H14ClFN2O2

>  <MolWeight> (514)
380.7994632

>  <Cat> (514)
S0836

>  <Name> (514)
TMN355

>  <Synonyms> (514)
N/A

>  <Target> (514)
others

>  <Form> (514)
Free Base

>  <CAS> (514)
1186372-20-2

>  <URL> (514)
https://www.selleckchem.com/products/tmn355.html

$$$$

csChFnd80/12262214282D

 32 36  0  0  0  0  0  0  0  0999 V2000
   11.3555    6.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5018    2.5251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   10.2794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9346    3.8565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   13.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    8.1794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6516    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2923    5.6084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018    2.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692    3.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    4.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392   10.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144   10.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392   12.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2268    8.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   14.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4392    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8641    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    3.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0766    6.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    4.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2229    4.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5540    2.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3388    1.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 28  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  1  0  0  0  0
  7 21  2  0  0  0  0
  7 25  1  0  0  0  0
  8 22  1  0  0  0  0
  8 25  2  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (515)
7422

>  <Formula> (515)
C22H31N9O

>  <MolWeight> (515)
437.54124

>  <Cat> (515)
S1272

>  <Name> (515)
XL228

>  <Synonyms> (515)
N/A

>  <Target> (515)
Bcr-Abl. Aurora Kinase. IGF-1R. Src.

>  <Form> (515)
Free Base

>  <CAS> (515)
898280-07-4

>  <URL> (515)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/12262214282D

 44 48  0  0  0  0  0  0  0  0999 V2000
    2.4168    4.1768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6232    4.8734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    2.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    4.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6232    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339    2.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0033    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    2.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573    4.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    6.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    0.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    2.0905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6705    2.7850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    2.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2592    4.1847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9001    4.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    4.8621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    5.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2691    5.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8704    2.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8045    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9987    6.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    8.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5695    6.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4501    6.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   10.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   13.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5550   13.2183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  1  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  6  0  0  0
 11 19  1  0  0  0  0
 19 23  1  6  0  0  0
 15 24  1  1  0  0  0
 24 25  1  0  0  0  0
 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (516)
7423

>  <Formula> (516)
C29H30O13

>  <MolWeight> (516)
586.5407

>  <Cat> (516)
S1273

>  <Name> (516)
Amarogentin

>  <Synonyms> (516)
AG

>  <Target> (516)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (516)
Free Base

>  <CAS> (516)
21018-84-8

>  <URL> (516)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/12262214282D

 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> (517)
7436

>  <Formula> (517)
C12H14N2O2

>  <MolWeight> (517)
218.25176

>  <Cat> (517)
S2985

>  <Name> (517)
N-Acetyl-5-hydroxytryptamine

>  <Synonyms> (517)
NAS, N-Acetylserotonin, Normelatonin, O-Demethylmelatonin

>  <Target> (517)
Trk receptor

>  <Form> (517)
Free Base

>  <CAS> (517)
1210-83-9

>  <URL> (517)
https://www.selleckchem.com/products/n-acetyl-5-hydroxytryptamine.html

$$$$

csChFnd80/12262214282D

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    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  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (518)
7501

>  <Formula> (518)
C4H11O4P

>  <MolWeight> (518)
154.101501

>  <Cat> (518)
S3312

>  <Name> (518)
Diethyl phosphate

>  <Synonyms> (518)
DEP, DPF, Diethyl phosphoric acid, diethyl hydrogen phosphate

>  <Target> (518)
Interleukins

>  <Form> (518)
Phosphate

>  <CAS> (518)
598-02-7

>  <URL> (518)
https://www.selleckchem.com/products/diethyl-phosphate.html

$$$$

csChFnd80/12262214282D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6340    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    4.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045    2.1152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4082    2.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    4.1964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6294    2.1051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0555    4.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0555    6.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2762    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5005    6.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5005    4.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2786    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    6.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2336    5.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6243    5.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9267    7.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7149    7.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8551    8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125    9.2223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
  7 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 23 24  3  0  0  0  0
 18 23  1  0  0  0  0
 15 18  1  0  0  0  0
  9 12  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (519)
7556

>  <Formula> (519)
C24H23N5O

>  <MolWeight> (519)
397.47232

>  <Cat> (519)
S5248

>  <Name> (519)
Apatinib

>  <Synonyms> (519)
YN968D1

>  <Target> (519)
VEGFR/c-RET

>  <Form> (519)
Free Base

>  <CAS> (519)
811803-05-1

>  <URL> (519)
https://www.selleckchem.com/products/apatinib.html

$$$$

csChFnd80/12262214282D

  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> (520)
7575

>  <Formula> (520)
R

>  <Cat> (520)
S6955

>  <Name> (520)
Insulin (human)

>  <Synonyms> (520)
Insulin regular

>  <Target> (520)
IGF-1R

>  <Form> (520)
Free Base

>  <CAS> (520)
11061-68-0

>  <URL> (520)
https://www.selleckchem.com/products/insulin.html

$$$$

csChFnd80/12262214282D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.0669    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9723    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1324    1.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0630    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5224    1.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9147    1.0514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
  7 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  3  0  0  0  0
M  END
>  <Mol_ID> (521)
7590

>  <Formula> (521)
C14H12N4OS

>  <MolWeight> (521)
284.33628

>  <Cat> (521)
S9617

>  <Name> (521)
G6PDi-1

>  <Synonyms> (521)
N/A

>  <Target> (521)
Dehydrogenase. NADPH-oxidase

>  <Form> (521)
Free Base

>  <CAS> (521)
unknown

>  <URL> (521)
https://www.selleckchem.com/products/g6pdi-1.html

$$$$

csChFnd80/12262214282D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.6610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1875    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2010    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1671    4.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8671    6.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1671    7.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7671    7.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8647    3.5812    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.1671    2.3729    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.2598    3.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  2  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
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (522)
7608

>  <Formula> (522)
C17H16N4O3

>  <MolWeight> (522)
324.33394

>  <Cat> (522)
S9701

>  <Name> (522)
HS-243

>  <Synonyms> (522)
N/A

>  <Target> (522)
IRAK

>  <Form> (522)
Free Base

>  <CAS> (522)
unknown

>  <URL> (522)
https://www.selleckchem.com/products/hs-243.html

$$$$

csChFnd80/12262214282D

 39 44  0  0  0  0  0  0  0  0999 V2000
    4.6280    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8404    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4198    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8404    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6322    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2157    4.8927    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
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
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  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 11 19  1  0  0  0  0
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 20 21  2  0  0  0  0
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 22 11  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 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 27  1  0  0  0  0
 30 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 38  1  0  0  0  0
 38 33  1  0  0  0  0
 19 39  2  0  0  0  0
M  END
>  <Mol_ID> (523)
7630

>  <Formula> (523)
C29H26FN5O3S

>  <MolWeight> (523)
543.6118432

>  <Cat> (523)
S8920

>  <Name> (523)
(Rac)-JBJ-04-125-02

>  <Synonyms> (523)
JBJ-04-125-02 racemate

>  <Target> (523)
EGFR

>  <Form> (523)
Free Base

>  <CAS> (523)
2140807-05-0

>  <URL> (523)
http://www.selleckchem.com/products/jbj-04-125-02.html

$$$$

csChFnd80/12262214282D

 36 39  0  0  0  0  0  0  0  0999 V2000
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   13.8428    3.8699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5228    5.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1008    7.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5502    4.3374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5502    2.9374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3378    2.2374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1253    2.9374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.8749    2.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3602    0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5502    5.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8401    0.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1030    0.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5538    3.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8621    3.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0088    5.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2152    0.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2869    5.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6989    5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8329    6.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1108    5.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2449    6.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3378    3.6374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1146    1.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    1.5501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  6  0  0  0
 16  2  1  1  0  0  0
  3 25  2  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 28  2  0  0  0  0
  6 30  2  0  0  0  0
  7 33  1  0  0  0  0
  8 33  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 20  1  1  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 15 21  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  1  0  0  0
 17 18  1  0  0  0  0
 19 22  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  2  0  0  0  0
 23 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  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
 11 34  1  1  0  0  0
 12 35  1  6  0  0  0
 10 36  1  6  0  0  0
M  END
>  <Mol_ID> (524)
7632

>  <Formula> (524)
C25H34O8

>  <MolWeight> (524)
462.53266

>  <Cat> (524)
S5972

>  <Name> (524)
Hydrocortisone hemisuccinate

>  <Synonyms> (524)
A-hydrocort, Hydrocortisone 21-hemisuccinate

>  <Target> (524)
Interleukins

>  <Form> (524)
Hemisuccinate

>  <CAS> (524)
2203-97-6

>  <URL> (524)
http://www.selleckchem.com/products/hydrocortisone-hemisuccinate.html

$$$$

csChFnd80/12262214282D

 40 44  0  0  0  0  0  0  0  0999 V2000
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    7.2578    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    8.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   10.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   12.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   13.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   12.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  1 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
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 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
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 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
M  END
>  <Mol_ID> (525)
7647

>  <Formula> (525)
C29H29ClN6O4

>  <MolWeight> (525)
561.03136

>  <Cat> (525)
S9786

>  <Name> (525)
BDTX-189

>  <Synonyms> (525)
N/A

>  <Target> (525)
EGFR

>  <Form> (525)
Free Base

>  <CAS> (525)
2414572-47-5

>  <URL> (525)
http://www.selleckchem.com/products/bdtx-189.html

$$$$

csChFnd80/12262214282D

 36 37  0  0  0  0  0  0  0  0999 V2000
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   14.5515    1.3976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9947    6.3072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
  4 35  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 29  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 21  1  0  0  0  0
  9 29  1  0  0  0  0
 10 24  1  0  0  0  0
 10 27  2  0  0  0  0
 11 26  1  0  0  0  0
 11 28  1  0  0  0  0
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 20 23  1  0  0  0  0
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 22 24  1  0  0  0  0
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 28 30  2  0  0  0  0
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 29 34  1  0  0  0  0
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M  END
>  <Mol_ID> (526)
7653

>  <Formula> (526)
C24H27Cl3FN5O3

>  <MolWeight> (526)
558.8602832

>  <Cat> (526)
S0711

>  <Name> (526)
Canertinib dihydrochloride

>  <Synonyms> (526)
CI-1033 dihydrochloride, PD-183805 dihydrochloride

>  <Target> (526)
EGFR

>  <Form> (526)
Dihydrochloride

>  <CAS> (526)
289499-45-2

>  <URL> (526)
http://www.selleckchem.com/products/canertinib-dihydrochloride.html

$$$$

csChFnd80/12262214282D

 96104  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (527)
7664

>  <Formula> (527)
C72H66N8O12S4

>  <MolWeight> (527)
1363.60084

>  <Cat> (527)
P1202

>  <Name> (527)
TMPyP4 tosylate

>  <Synonyms> (527)
TMP 1363

>  <Target> (527)
G-quadruplex

>  <Form> (527)
Tosylate

>  <CAS> (527)
36951-72-1

>  <URL> (527)
http://www.selleckchem.com/products/tmpyp4-tosylate.html

$$$$

csChFnd80/12262214282D

 26 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (528)
7674

>  <Formula> (528)
C8BrF17

>  <MolWeight> (528)
498.9624544

>  <Cat> (528)
S3501

>  <Name> (528)
Perflubron

>  <Synonyms> (528)
1-Bromoperfluorooctane, Perfluorooctyl bromide, Oxygent, PFOB

>  <Target> (528)
Immunology & Inflammation related

>  <Form> (528)
Free Base

>  <CAS> (528)
423-55-2

>  <URL> (528)
http://www.selleckchem.com/products/perflubron.html

$$$$

csChFnd80/12262214282D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (529)
7681

>  <Formula> (529)
C32H28F3N5O4

>  <MolWeight> (529)
603.5910296

>  <Cat> (529)
S8682

>  <Name> (529)
AMG 487

>  <Synonyms> (529)
N/A

>  <Target> (529)
CXCR

>  <Form> (529)
Free Base

>  <CAS> (529)
473719-41-4

>  <URL> (529)
http://www.selleckchem.com/products/amg-487.html

$$$$

csChFnd80/12262214282D

 33 36  0  0  0  0  0  0  0  0999 V2000
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    3.9130    6.3968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4210    7.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8430    5.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5503    4.2968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3379    3.5969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1254    4.2968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.6990    6.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8330    7.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1146    2.8969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    2.9095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  6  0  0  0
 13  2  1  1  0  0  0
  3 21  2  0  0  0  0
  4 26  1  0  0  0  0
  4 29  1  0  0  0  0
  5 28  2  0  0  0  0
  6 29  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 19  1  1  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 22  1  1  0  0  0
 15 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 18 24  1  6  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 23 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
  9 31  1  1  0  0  0
 10 32  1  6  0  0  0
  8 33  1  6  0  0  0
M  END
>  <Mol_ID> (530)
7693

>  <Formula> (530)
C24H32O6

>  <MolWeight> (530)
416.50728

>  <Cat> (530)
S5973

>  <Name> (530)
Methylprednisolone Acetate

>  <Synonyms> (530)
NSC-19987 acetate, Medrol acetate

>  <Target> (530)
Glucocorticoid Receptor

>  <Form> (530)
Free Base

>  <CAS> (530)
53-36-1

>  <URL> (530)
http://www.selleckchem.com/products/methylprednisolone-acetate.html

$$$$

csChFnd80/12262214282D

 19 22  0  0  0  0  0  0  0  0999 V2000
    6.8894    4.1699    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6009    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6060    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3922    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3897    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0616    0.2628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0575    2.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2367    1.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8367    1.3925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6224    3.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2887    5.2761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2524    4.1471    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
  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
  5  9  2  0  0  0  0
  4  6  2  0  0  0  0
 11 12  1  0  0  0  0
 10 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  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
 15 19  1  0  0  0  0
 14 18  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (531)
7710

>  <Formula> (531)
C13H8N4OS

>  <MolWeight> (531)
268.29382

>  <Cat> (531)
S9668

>  <Name> (531)
PKR-IN-C16

>  <Synonyms> (531)
imoxin, C16, Imidazolo-oxindole PKR inhibitor C16

>  <Target> (531)
PKR

>  <Form> (531)
Free Base

>  <CAS> (531)
608512-97-6

>  <URL> (531)
http://www.selleckchem.com/products/pkr-in-c16.html

$$$$

csChFnd80/12262214282D

 63 62  0  0  0  0  0  0  0  0999 V2000
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   18.1869   10.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3994    8.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   27.8866   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4616   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 55 57  1  0  0  0  0
M  END
>  <Mol_ID> (532)
7749

>  <Formula> (532)
C57H104O6

>  <MolWeight> (532)
885.43206

>  <Cat> (532)
S3590

>  <Name> (532)
Triolein

>  <Synonyms> (532)
N/A

>  <Target> (532)
MMP

>  <Form> (532)
Free Base

>  <CAS> (532)
122-32-7

>  <URL> (532)
http://www.selleckchem.com/products/triolein.html

$$$$

csChFnd80/12262214282D

 31 35  0  0  0  0  0  0  0  0999 V2000
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    3.7956    1.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    4.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123    5.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1212    6.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897    7.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493    6.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    5.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1616    7.8685    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1213    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7172    5.8336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6  5  1  0  0  0  0
  4  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 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 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> (533)
7750

>  <Formula> (533)
C21H22F2N6O2

>  <MolWeight> (533)
428.4351864

>  <Cat> (533)
S5860

>  <Name> (533)
Larotrectinib

>  <Synonyms> (533)
Vitrakvi, LOXO-101, ARRY-470

>  <Target> (533)
Trk receptor

>  <Form> (533)
Free Base

>  <CAS> (533)
1223403-58-4

>  <URL> (533)
http://www.selleckchem.com/products/larotrectinib.html

$$$$

csChFnd80/12262214282D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.2248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    6.5836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3579    2.5268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3579    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6082    4.9001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4619    6.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    5.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5230    7.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3459    8.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5612    9.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5993   11.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1749    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9916   11.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4 13  2  0  0  0  0
  4 21  1  0  0  0  0
  5 15  1  0  0  0  0
  5 22  1  0  0  0  0
  6 18  1  0  0  0  0
  6 21  2  0  0  0  0
  7 18  1  0  0  0  0
  7 22  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 23  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (534)
7768

>  <Formula> (534)
C16H16N6O

>  <MolWeight> (534)
308.33784

>  <Cat> (534)
S3515

>  <Name> (534)
Benpyrine racemate

>  <Synonyms> (534)
(Rac)-Benpyrine

>  <Target> (534)
TNF-alpha

>  <Form> (534)
Free Base

>  <CAS> (534)
1333714-43-4

>  <URL> (534)
http://www.selleckchem.com/products/benpyrine-racemate.html

$$$$

csChFnd80/12262214282D

 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
    1.4133   12.5627    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0133   12.5627    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   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
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    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 21  1  0  0  0  0
  5 25  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 23  1  0  0  0  0
  9 27  1  0  0  0  0
 10 27  1  0  0  0  0
 10 35  2  0  0  0  0
 11 31  1  0  0  0  0
 11 35  1  0  0  0  0
 12 27  2  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  0  0  0  0
 28 31  1  0  0  0  0
 28 34  2  0  0  0  0
 31 36  2  0  0  0  0
 34 37  1  0  0  0  0
 35 38  1  0  0  0  0
 36 39  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (535)
7780

>  <Formula> (535)
C28H38Cl3N5O3S

>  <MolWeight> (535)
631.05702

>  <Cat> (535)
S4967

>  <Name> (535)
Ceritinib dihydrochloride

>  <Synonyms> (535)
Zykadia, LDK378 dihydrochloride

>  <Target> (535)
ALK

>  <Form> (535)
Dihydrochloride

>  <CAS> (535)
1380575-43-8

>  <URL> (535)
http://www.selleckchem.com/products/ceritinib-dihydrochloride.html

$$$$

csChFnd80/12262214282D

 31 33  0  0  0  0  0  0  0  0999 V2000
   13.6674    4.6874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   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
    0.0000    4.7194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8770    6.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    1.8874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
    2.2152    3.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    6.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4549    6.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    6.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674    6.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8798    6.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674    8.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8798    8.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 22  1  0  0  0  0
 23  5  1  6  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  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> (536)
7783

>  <Formula> (536)
C21H23Cl3FN5O

>  <MolWeight> (536)
486.7976232

>  <Cat> (536)
S5190

>  <Name> (536)
Crizotinib hydrochloride

>  <Synonyms> (536)
Xalkori, PF-02341066 hydrochloride

>  <Target> (536)
c-Met

>  <Form> (536)
Hydrochloride

>  <CAS> (536)
1415560-69-8

>  <URL> (536)
http://www.selleckchem.com/products/crizotinib-hydrochloride.html

$$$$

csChFnd80/12262214282D

 32 36  0  0  0  0  0  0  0  0999 V2000
   11.4872    4.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8873    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2455    2.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7872    3.6372    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   11.4872    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (537)
7798

>  <Formula> (537)
C26H25N5O

>  <MolWeight> (537)
423.5096

>  <Cat> (537)
S3231

>  <Name> (537)
UCB-9260

>  <Synonyms> (537)
N/A

>  <Target> (537)
TNF-alpha

>  <Form> (537)
Free Base

>  <CAS> (537)
1515888-53-5

>  <URL> (537)
http://www.selleckchem.com/products/ucb-9260.html

$$$$

csChFnd80/12262214282D

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M  END
>  <Mol_ID> (538)
7840

>  <Formula> (538)
C21H27NO4

>  <MolWeight> (538)
357.44338

>  <Cat> (538)
S3479

>  <Name> (538)
R243

>  <Synonyms> (538)
N/A

>  <Target> (538)
CCR

>  <Form> (538)
Free Base

>  <CAS> (538)
688352-84-3

>  <URL> (538)
http://www.selleckchem.com/products/r243.html

$$$$

csChFnd80/12262214282D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (539)
7851

>  <Formula> (539)
C17H15N3O6

>  <MolWeight> (539)
357.3175

>  <Cat> (539)
S4842

>  <Name> (539)
Balsalazide

>  <Synonyms> (539)
Colazal, Giazo

>  <Target> (539)
Immunology & Inflammation related

>  <Form> (539)
Free Base

>  <CAS> (539)
80573-04-2

>  <URL> (539)
http://www.selleckchem.com/products/balsalazide.html

$$$$

csChFnd80/12262214282D

 34 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (540)
7852

>  <Formula> (540)
C21H16Cl2F4N4O3

>  <MolWeight> (540)
519.2763528

>  <Cat> (540)
S4947

>  <Name> (540)
Regorafenib Hydrochloride

>  <Synonyms> (540)
Stivarga, BAY 73-4506 hydrochloride

>  <Target> (540)
VEGFR

>  <Form> (540)
Hydrochloride

>  <CAS> (540)
835621-07-3

>  <URL> (540)
http://www.selleckchem.com/products/regorafenib-hydrochloride.html

$$$$

csChFnd80/12262214282D

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M  END
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7860

>  <Formula> (541)
C27H31NO3

>  <MolWeight> (541)
417.53994

>  <Cat> (541)
S3449

>  <Name> (541)
GSK5182

>  <Synonyms> (541)
N/A

>  <Target> (541)
Estrogen/progestogen Receptor

>  <Form> (541)
Free Base

>  <CAS> (541)
877387-37-6

>  <URL> (541)
http://www.selleckchem.com/products/gsk5182.html

$$$$

csChFnd80/12262214282D

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7903

>  <Formula> (542)
C24H25N7O5

>  <MolWeight> (542)
491.4992

>  <Cat> (542)
S9779

>  <Name> (542)
Emavusertib (CA-4948)

>  <Synonyms> (542)
N/A

>  <Target> (542)
IRAK

>  <Form> (542)
Free Base

>  <CAS> (542)
1801344-14-8

>  <URL> (542)
http://www.selleckchem.com/products/ca-4948.html

$$$$

csChFnd80/12262214282D

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7907

>  <Formula> (543)
C13H10O

>  <MolWeight> (543)
182.2179

>  <Cat> (543)
E0008

>  <Name> (543)
Atractylodin

>  <Synonyms> (543)
Atractydin

>  <Target> (543)
Interleukins

>  <Form> (543)
Free Base

>  <CAS> (543)
55290-63-6

>  <URL> (543)
http://www.selleckchem.com/products/atractylodin.html

$$$$

csChFnd80/12262214282D

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>  <Mol_ID> (544)
7931

>  <Formula> (544)
C16H24N2O4

>  <MolWeight> (544)
308.37276

>  <Cat> (544)
S0292

>  <Name> (544)
MSX-127

>  <Synonyms> (544)
NSC23026

>  <Target> (544)
CXCR

>  <Form> (544)
Free Base

>  <CAS> (544)
6616-56-4

>  <URL> (544)
http://www.selleckchem.com/products/msx-127.html

$$$$

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7932

>  <Formula> (545)
C36H26N4

>  <MolWeight> (545)
514.61844

>  <Cat> (545)
S0293

>  <Name> (545)
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>  <Synonyms> (545)
N/A

>  <Target> (545)
CXCR

>  <Form> (545)
Free Base

>  <CAS> (545)
4051-59-6

>  <URL> (545)
http://www.selleckchem.com/products/msx-130.html

$$$$

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    9.8636    2.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6873    3.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6924    8.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5037    6.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3006    3.5265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6798    1.4269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  7  3  1  1  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  1  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 16  1  6  0  0  0
  8 13  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
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 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
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 20 25  2  0  0  0  0
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 22 34  3  0  0  0  0
 23 30  1  0  0  0  0
 24 31  2  0  0  0  0
 25 28  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 32  1  0  0  0  0
 27 33  1  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
  8 35  1  1  0  0  0
  6 36  1  6  0  0  0
M  END
>  <Mol_ID> (546)
7939

>  <Formula> (546)
C30H32F2O2

>  <MolWeight> (546)
462.5706864

>  <Cat> (546)
S0472

>  <Name> (546)
EC330

>  <Synonyms> (546)
N/A

>  <Target> (546)
Interleukins

>  <Form> (546)
Free Base

>  <CAS> (546)
2016795-77-8

>  <URL> (546)
http://www.selleckchem.com/products/ec330.html

$$$$

csChFnd80/12262214282D

 31 33  0  0  0  0  0  0  0  0999 V2000
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   19.3771    5.6287    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.8656    7.5379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.4680    5.1172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2675    0.0102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0571    0.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9564    7.0263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6882    2.8054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1119    4.2171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    2.8054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4778    2.1066    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6835    4.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9027    2.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8965    4.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1668    6.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 31  1  0  0  0  0
  2 30  1  0  0  0  0
  3 30  1  0  0  0  0
  4 30  1  0  0  0  0
  5 17  1  0  0  0  0
  6 19  2  0  0  0  0
  7 24  1  0  0  0  0
  7 30  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  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
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 25  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 31  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (547)
7961

>  <Formula> (547)
C21H23ClF3N3O3

>  <MolWeight> (547)
457.8738296

>  <Cat> (547)
S3544

>  <Name> (547)
VBIT-4

>  <Synonyms> (547)
N/A

>  <Target> (547)
VDAC

>  <Form> (547)
Free Base

>  <CAS> (547)
2086257-77-2

>  <URL> (547)
http://www.selleckchem.com/products/vbit-4.html

$$$$

csChFnd80/12262214282D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.4011    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.8212    3.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6668    2.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8212    1.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 14  2  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 17  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (548)
7978

>  <Formula> (548)
C12H22ClN3OS

>  <MolWeight> (548)
291.84058

>  <Cat> (548)
S6078

>  <Name> (548)
ICCB-19 hydrochloride

>  <Synonyms> (548)
N/A

>  <Target> (548)
RIP kinase

>  <Form> (548)
Hydrochloride

>  <CAS> (548)
1803605-68-6

>  <URL> (548)
http://www.selleckchem.com/products/iccb-19-hydrochloride.html

$$$$

csChFnd80/12262214282D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.5168    5.6878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9637    6.3939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7582    8.8549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5095    9.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    3.9267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9313    7.3370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    1.6733    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
    0.0000    2.1000    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
    3.3637    6.3914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1846    5.2574    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1885    7.5227    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5192    7.0878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6534    7.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    2.8001    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
    9.0655    8.1580    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    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3434    7.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
 11  2  1  6  0  0  0
 13  3  1  6  0  0  0
  4 15  2  0  0  0  0
 12  5  1  1  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 15  1  0  0  0  0
  6 19  1  0  0  0  0
  7 17  2  0  0  0  0
  7 18  1  0  0  0  0
  8 16  2  0  0  0  0
  8 21  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 16 18  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (549)
7988

>  <Formula> (549)
C12H16N6O4

>  <MolWeight> (549)
308.29324

>  <Cat> (549)
S6347

>  <Name> (549)
5'-N-Ethylcarboxamidoadenosine (NECA)

>  <Synonyms> (549)
5'-(N-Ethylcarboxamido)adenosine, Adenosine-5'N-ethylcarboxamide, 5'-Ethylcarboxamidoadenosine

>  <Target> (549)
Adenosine Receptor

>  <Form> (549)
Free Base

>  <CAS> (549)
35920-39-9

>  <URL> (549)
http://www.selleckchem.com/products/5-n-ethylcarboxamidoadenosine.html

$$$$

csChFnd80/12262214282D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    3.7325    0.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    2.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    3.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9449   11.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 16  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 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
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (550)
8015

>  <Formula> (550)
C21H22ClF3N2O2

>  <MolWeight> (550)
426.8597896

>  <Cat> (550)
S7538

>  <Name> (550)
RS-102895 Hydrochloride

>  <Synonyms> (550)
RS-102895 HCl

>  <Target> (550)
CCR

>  <Form> (550)
Hydrochloride

>  <CAS> (550)
1173022-16-6

>  <URL> (550)
http://www.selleckchem.com/products/rs-102895-hydrochloride.html

$$$$

csChFnd80/12262214282D

 34 37  0  0  0  0  0  0  0  0999 V2000
   12.1373    3.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4160    4.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4268    5.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2120    6.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0019    5.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0066    4.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2074    7.8156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9926    8.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7825    7.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7592    6.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1373    2.2144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0407    3.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510    5.7427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3378    6.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3152    7.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1595    8.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9406    7.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9275    6.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1334    5.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1726    9.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   10.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478   10.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6645    8.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.8012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.7084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9419    4.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4200    3.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5650    2.2680    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.6242    3.5795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8324    4.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3314    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9684    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 12 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 12  1  0  0  0  0
 12 30  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 12  1  0  0  0  0
 11 33  1  0  0  0  0
M  END
>  <Mol_ID> (551)
8016

>  <Formula> (551)
C26H26ClN3O4

>  <MolWeight> (551)
479.95534

>  <Cat> (551)
S7647

>  <Name> (551)
Lucitanib (E3810) hydrochloride

>  <Synonyms> (551)
AL3810

>  <Target> (551)
VEGFR

>  <Form> (551)
Hydrochloride

>  <CAS> (551)
1058137-23-7

>  <URL> (551)
http://www.selleckchem.com/products/lucitanib.html

$$$$

csChFnd80/12262214282D

 25 28  0  0  0  0  0  0  0  0999 V2000
   13.4266    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0016    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1519    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3643    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1519    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7892    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5768    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7892    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3643    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3643    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5768    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0016    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2140    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2140    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4266    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1519    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9395    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9395    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6879    6.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3643    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6879    9.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195    6.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195    8.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    6.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  6  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
 10  3  1  1  0  0  0
  3 17  1  0  0  0  0
  4 17  2  0  0  0  0
  4 21  1  0  0  0  0
  5 19  1  0  0  0  0
  5 21  2  0  0  0  0
  6 25  3  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (552)
8049

>  <Formula> (552)
C19H23N5O

>  <MolWeight> (552)
337.41882

>  <Cat> (552)
S0008

>  <Name> (552)
IRAK4-IN-1

>  <Synonyms> (552)
Compound 23

>  <Target> (552)
IRAK

>  <Form> (552)
Free Base

>  <CAS> (552)
1820787-94-7

>  <URL> (552)
http://www.selleckchem.com/products/irak4-in-1.html

$$$$

csChFnd80/12262214282D

 37 39  0  0  0  0  0  0  0  0999 V2000
    7.1783    4.3615    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2210    2.9887    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5080    4.7905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9556    5.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    5.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0199    2.2452    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5725    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3590    3.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8932    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7091    5.5127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8044    4.3186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8261    2.9244    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0199    0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7011    7.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5204    6.1703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6033    3.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9014    9.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4523    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1868    2.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3366   10.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3025    9.5235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1444   12.0618    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
    8.5296   13.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3590   14.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1353   13.4344    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2640    1.7375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9770    3.6822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8473    1.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8557   12.2761    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
  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
  2 34  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  6  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 35  1  1  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  1  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 36  1  6  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  1  0  0  0
 18 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (553)
8067

>  <Formula> (553)
C25H33NaO8

>  <MolWeight> (553)
484.51449

>  <Cat> (553)
E0177

>  <Name> (553)
Hydrocortisone sodium succinate

>  <Synonyms> (553)
Hydrocortisone 21-hemisuccinate sodium salt

>  <Target> (553)
Interleukins

>  <Form> (553)
Sodium succinate

>  <CAS> (553)
125-04-2

>  <URL> (553)
http://www.selleckchem.com/products/hydrocortisone-sodium-succinate.html

$$$$

csChFnd80/12262214282D

 37 37  0  0  0  0  0  0  0  0999 V2000
    0.8585    6.3001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7084    6.3001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   14.4791    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.4791    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2835    4.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9209   12.6003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8585    9.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0711   11.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1334    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960   11.2002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0711   16.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1334   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3458   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
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 31 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (554)
8073

>  <Formula> (554)
C25H33Cl4N3O5

>  <MolWeight> (554)
597.35862

>  <Cat> (554)
E0314

>  <Name> (554)
JTE-607 Dihydrochloride

>  <Synonyms> (554)
N/A

>  <Target> (554)
TNF-alpha

>  <Form> (554)
Dihydrochloride

>  <CAS> (554)
188791-09-5

>  <URL> (554)
http://www.selleckchem.com/products/jte-607-dihydrochloride.html

$$$$

csChFnd80/12262214282D

 41 44  0  0  0  0  0  0  0  0999 V2000
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   13.3368   17.1659    0.0000 F   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
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
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 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 19  1  6  0  0  0
  7 14  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
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 34 35  1  0  0  0  0
 30 35  2  0  0  0  0
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 36 39  1  0  0  0  0
 31 36  1  0  0  0  0
 33 40  1  0  0  0  0
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 29 30  1  0  0  0  0
 25 29  1  0  0  0  0
 22 23  1  0  0  0  0
 10 22  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (555)
8082

>  <Formula> (555)
C29H35ClFN7O3

>  <MolWeight> (555)
584.0847032

>  <Cat> (555)
E0368

>  <Name> (555)
DZD9008

>  <Synonyms> (555)
N/A

>  <Target> (555)
EGFR

>  <Form> (555)
Free Base

>  <CAS> (555)
2370013-49-1

>  <URL> (555)
http://www.selleckchem.com/products/dzd9008.html

$$$$

csChFnd80/12262214282D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.9449    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5449    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1 28  1  0  0  0  0
  2 28  1  0  0  0  0
  3 28  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
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  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 19 22  1  0  0  0  0
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 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (556)
8119

>  <Formula> (556)
C21H21F3N2O2

>  <MolWeight> (556)
390.3988496

>  <Cat> (556)
S3383

>  <Name> (556)
RS102895

>  <Synonyms> (556)
N/A

>  <Target> (556)
CCR

>  <Form> (556)
Free Base

>  <CAS> (556)
300815-41-2

>  <URL> (556)
http://www.selleckchem.com/products/rs102895.html

$$$$

csChFnd80/12262214282D

 37 40  0  0  0  0  0  0  0  0999 V2000
    3.6247    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  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
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  2 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 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
M  END
>  <Mol_ID> (557)
8136

>  <Formula> (557)
C27H23FN4O4S

>  <MolWeight> (557)
518.5593232

>  <Cat> (557)
S6764

>  <Name> (557)
Pamufetinib (TAS-115)

>  <Synonyms> (557)
N/A

>  <Target> (557)
VEGFR

>  <Form> (557)
Free Base

>  <CAS> (557)
1190836-34-0

>  <URL> (557)
http://www.selleckchem.com/products/tas-115.html

$$$$

csChFnd80/12262214282D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (558)
8144

>  <Formula> (558)
C21H24ClFN4O3

>  <MolWeight> (558)
434.8916632

>  <Cat> (558)
S7604

>  <Name> (558)
BX471

>  <Synonyms> (558)
ZK811752, BAY 865047, SH T 04268H

>  <Target> (558)
CCR

>  <Form> (558)
Free Base

>  <CAS> (558)
217645-70-0

>  <URL> (558)
http://www.selleckchem.com/products/bx471.html

$$$$

csChFnd80/12262214282D

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M  END
>  <Mol_ID> (559)
8146

>  <Formula> (559)
C29H31F3N6O3

>  <MolWeight> (559)
568.5900496

>  <Cat> (559)
S8361

>  <Name> (559)
PF-4136309

>  <Synonyms> (559)
INCB8761, PF-04136309

>  <Target> (559)
CCR

>  <Form> (559)
Free Base

>  <CAS> (559)
857679-55-1

>  <URL> (559)
http://www.selleckchem.com/products/pf-4136309.html

$$$$

csChFnd80/12262214282D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (560)
8182

>  <Formula> (560)
C27H27N5O3

>  <MolWeight> (560)
469.53498

>  <Cat> (560)
E0050

>  <Name> (560)
Seralutinib (GB002)

>  <Synonyms> (560)
PK10571

>  <Target> (560)
PDGFR

>  <Form> (560)
Free Base

>  <CAS> (560)
1619931-27-9

>  <URL> (560)
http://www.selleckchem.com/products/seralutinib-pk10571.html

$$$$

csChFnd80/12262214282D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (561)
8189

>  <Formula> (561)
C12H10FNO

>  <MolWeight> (561)
203.2123032

>  <Cat> (561)
E0084

>  <Name> (561)
Fluorofenidone

>  <Synonyms> (561)
AKF-PD

>  <Target> (561)
NADPH-oxidase

>  <Form> (561)
Free Base

>  <CAS> (561)
848353-85-5

>  <URL> (561)
http://www.selleckchem.com/products/fluorofenidone.html

$$$$

csChFnd80/12262214282D

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>  <Mol_ID> (562)
8201

>  <Formula> (562)
C21H18O11

>  <MolWeight> (562)
446.36102

>  <Cat> (562)
E0130

>  <Name> (562)
Apigenin-7-O-glucuronide

>  <Synonyms> (562)
Apigenin-7-glucuronide

>  <Target> (562)
TNF-alpha

>  <Form> (562)
Free Base

>  <CAS> (562)
29741-09-1

>  <URL> (562)
http://www.selleckchem.com/products/apigenin-7-o-glucuronide.html

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csChFnd80/12262214282D

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>  <Mol_ID> (563)
8226

>  <Formula> (563)
C25H27N3O3

>  <MolWeight> (563)
417.50018

>  <Cat> (563)
S9738

>  <Name> (563)
RS504393

>  <Target> (563)
CCR

>  <Form> (563)
free base

>  <CAS> (563)
300816-15-3

>  <URL> (563)
http://www.selleckchem.com/products/rs504393.html

$$$$

csChFnd80/12262214282D

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8231

>  <Formula> (564)
C29H33ClN6

>  <MolWeight> (564)
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>  <Cat> (564)
S9892

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HM43239

>  <Synonyms> (564)
N/A

>  <Target> (564)
FLT3

>  <Form> (564)
free base

>  <CAS> (564)
2569527-64-4

>  <URL> (564)
http://www.selleckchem.com/products/hm43239.html

$$$$

csChFnd80/12262214282D

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8287

>  <Formula> (565)
C13H9NOS

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227.28166

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S0291

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SU5208

>  <Synonyms> (565)
3-[(Thien-2-yl)methylene]-2-indolinone

>  <Target> (565)
Others

>  <Form> (565)
free base

>  <CAS> (565)
62540-08-3

>  <URL> (565)
http://www.selleckchem.com/products/su5208.html

$$$$

csChFnd80/12262214282D

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8294

>  <Formula> (566)
C10H7NO4

>  <MolWeight> (566)
205.16688

>  <Cat> (566)
S0324

>  <Name> (566)
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>  <Synonyms> (566)
N/A

>  <Target> (566)
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>  <Form> (566)
free base

>  <CAS> (566)
122520-79-0

>  <URL> (566)
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    7.4822    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    5.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    7.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    8.1682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7355    0.0000 C   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
  3 16  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  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
 15 18  2  0  0  0  0
 16 19  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
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (567)
8307

>  <Formula> (567)
C16H10FN3O2

>  <MolWeight> (567)
295.2679032

>  <Cat> (567)
S0550

>  <Name> (567)
5'-Fluoroindirubinoxime

>  <Synonyms> (567)
5'-FIO, compound 13

>  <Target> (567)
FLT3

>  <Form> (567)
free base

>  <CAS> (567)
861214-33-7

>  <URL> (567)
http://www.selleckchem.com/products/5-fluoroindirubinoxime.html

$$$$

csChFnd80/12262214282D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    9.6997    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    4.9003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    2.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  8  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
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  9 18  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
>  <Mol_ID> (568)
8319

>  <Formula> (568)
C16H14N2O2

>  <MolWeight> (568)
266.29456

>  <Cat> (568)
S0763

>  <Name> (568)
Tyrphostin AG1433

>  <Synonyms> (568)
SU1433, AG1433

>  <Target> (568)
Others

>  <Form> (568)
free base

>  <CAS> (568)
168835-90-3

>  <URL> (568)
http://www.selleckchem.com/products/tyrphostin-ag1433.html

$$$$

csChFnd80/12262214282D

 17 18  0  0  0  0  0  0  0  0999 V2000
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   10.8823    3.1245    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
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
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  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (569)
8365

>  <Formula> (569)
C11H8Cl2N2O2

>  <MolWeight> (569)
271.09942

>  <Cat> (569)
S3540

>  <Name> (569)
UTL-5g

>  <Synonyms> (569)
GBL-5g

>  <Target> (569)
Others

>  <Form> (569)
free base

>  <CAS> (569)
646530-37-2

>  <URL> (569)
http://www.selleckchem.com/products/utl-5g.html

$$$$

csChFnd80/12262214282D

 35 38  0  0  0  0  0  0  0  0999 V2000
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A   35
(E)
M  END
>  <Mol_ID> (570)
8368

>  <Formula> (570)
C28H27N3O3R

>  <MolWeight> (570)
453.53228

>  <Cat> (570)
S3552

>  <Name> (570)
SIS3

>  <Synonyms> (570)
N/A

>  <Target> (570)
TGF-beta/Smad

>  <Form> (570)
free base

>  <CAS> (570)
1009104-85-1

>  <URL> (570)
http://www.selleckchem.com/products/sis3.html

$$$$

csChFnd80/12262214282D

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M  END
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8394

>  <Formula> (571)
C34H36Cl2N8O4

>  <MolWeight> (571)
691.60684

>  <Cat> (571)
S7715

>  <Name> (571)
FIIN-3

>  <Target> (571)
FGFR

>  <Form> (571)
free base

>  <CAS> (571)
1637735-84-2

>  <URL> (571)
http://www.selleckchem.com/products/fiin-3.html

$$$$

csChFnd80/12262214282D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (572)
8397

>  <Formula> (572)
C25H20F3N5O2

>  <MolWeight> (572)
479.4538096

>  <Cat> (572)
E0340

>  <Name> (572)
CSF1R-IN-1

>  <Synonyms> (572)
N/A

>  <Target> (572)
Others

>  <Form> (572)
free base

>  <CAS> (572)
2095849-04-8

>  <URL> (572)
http://www.selleckchem.com/products/csf1r-in-1.html

$$$$

csChFnd80/12262214282D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (573)
8413

>  <Formula> (573)
C22H21ClN2O4S

>  <MolWeight> (573)
444.93114

>  <Cat> (573)
E0395

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Vercirnon

>  <Synonyms> (573)
GSK-1605786, CCX-282, Traficet-EN

>  <Target> (573)
CCR

>  <Form> (573)
free base

>  <CAS> (573)
698394-73-9

>  <URL> (573)
http://www.selleckchem.com/products/vercirnon.html

$$$$

csChFnd80/12262214282D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
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 16 22  1  0  0  0  0
 11 16  1  0  0  0  0
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M  END
>  <Mol_ID> (574)
8440

>  <Formula> (574)
C27H41N5O2

>  <MolWeight> (574)
467.64674

>  <Cat> (574)
E0486

>  <Name> (574)
C-021

>  <Target> (574)
CCR

>  <Form> (574)
free base

>  <CAS> (574)
864289-85-0

>  <URL> (574)
http://www.selleckchem.com/products/c-021.html

$$$$

csChFnd80/12262214282D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 18 15  2  0  0  0  0
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8454

>  <Formula> (575)
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282.2542

>  <Cat> (575)
E0533

>  <Name> (575)
IRAK-4 protein kinase inhibitor 2

>  <Form> (575)
free base

>  <CAS> (575)
301675-24-1

>  <URL> (575)
http://www.selleckchem.com/products/irak-4-protein-kinase-inhibitor-2.html

$$$$

csChFnd80/12262214282D

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>  <Mol_ID> (576)
8455

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C15H11BrN2O

>  <MolWeight> (576)
315.16464

>  <Cat> (576)
E0534

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WAY-340935

>  <Synonyms> (576)
VEGFR2-IN-2

>  <Form> (576)
free base

>  <CAS> (576)
737818-56-3

>  <URL> (576)
http://www.selleckchem.com/products/way-340935.html

$$$$

csChFnd80/12262214282D

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8501

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C12H11N3O4S

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293.29844

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E0794

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MID-1

>  <Form> (577)
free base

>  <CAS> (577)
312608-54-1

>  <URL> (577)
http://www.selleckchem.com/products/mid-1.html

$$$$

csChFnd80/12262214282D

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M  END
>  <Mol_ID> (578)
8510

>  <Formula> (578)
C29H34N6O4RS2

>  <MolWeight> (578)
594.74806

>  <Cat> (578)
E0814

>  <Name> (578)
Masitinib mesylate

>  <Synonyms> (578)
AB-1010 mesylate

>  <Target> (578)
c-Kit

>  <Form> (578)
Mesylate

>  <CAS> (578)
1048007-93-7

>  <URL> (578)
http://www.selleckchem.com/products/masitinib-mesylate .html

$$$$

csChFnd80/12262214282D

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8514

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C24H18ClFN4O2

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E0822

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AST-1306

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EGFR

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free base

>  <CAS> (579)
897383-62-9

>  <URL> (579)
http://www.selleckchem.com/products/ast-1306.html

$$$$

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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 10  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 25  1  0  0  0  0
  6 18  1  0  0  0  0
  7 22  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 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  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  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
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (580)
8519

>  <Formula> (580)
C21H22ClFN4O3

>  <MolWeight> (580)
432.8757832

>  <Cat> (580)
E0833

>  <Name> (580)
O-Demethyl-Gefitinib

>  <Target> (580)
EGFR

>  <Form> (580)
free base

>  <CAS> (580)
847949-49-9

>  <URL> (580)
http://www.selleckchem.com/products/o-demethyl-gefitinib.html

$$$$

csChFnd80/12262214282D

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M  END
>  <Mol_ID> (581)
8526

>  <Formula> (581)
C274H411N65O81S6

>  <MolWeight> (581)
6103.97204

>  <Cat> (581)
E0939

>  <Name> (581)
Insulin Degludec

>  <Target> (581)
IGF-1R

>  <Form> (581)
free base

>  <CAS> (581)
844439-96-9

>  <URL> (581)
http://www.selleckchem.com/products/insulin-degludec.html

$$$$

csChFnd80/12262214282D

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439144-66-8

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2254805-62-2

>  <URL> (583)
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csChFnd80/12262214282D

 22 22  0  0  0  0  0  0  0  0999 V2000
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1239600-18-0

>  <URL> (584)
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 24 26  0  0  0  0  0  0  0  0999 V2000
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8612

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free base

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2412056-27-8

>  <URL> (585)
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8633

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68573-24-0

>  <URL> (587)
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 28 32  0  0  0  0  0  0  0  0999 V2000
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   10.6415    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    2.7998    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    2.7998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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
    0.0000    2.1000    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
  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  2  0  0  0  0
  7  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  5 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
  8 13  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
 17 22  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
 23 28  1  0  0  0  0
 20 23  1  6  0  0  0
 17 10  1  1  0  0  0
M  END
>  <Mol_ID> (588)
8646

>  <Formula> (588)
C21H31N5O2

>  <MolWeight> (588)
385.50314

>  <Cat> (588)
E2647

>  <Name> (588)
AZ1495

>  <Form> (588)
free base

>  <CAS> (588)
2196204-23-4

>  <URL> (588)
http://www.selleckchem.com/products/az1495.html

$$$$

csChFnd80/12262214282D

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  5 14  1  0  0  0  0
  1 14  2  0  0  0  0
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  6 16  1  0  0  0  0
 13 19  2  0  0  0  0
M  END
>  <Mol_ID> (589)
8653

>  <Formula> (589)
C15H11NO3

>  <MolWeight> (589)
253.25274

>  <Cat> (589)
E2664

>  <Name> (589)
Cridanimod

>  <Form> (589)
free base

>  <CAS> (589)
38609-97-1

>  <URL> (589)
http://www.selleckchem.com/products/cridanimod.html

$$$$

csChFnd80/12262214282D

 32 31  0  0  0  0  0  0  0  0999 V2000
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  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
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  9 14  1  1  0  0  0
 10 15  1  1  0  0  0
 10 16  1  0  0  0  0
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 14 20  2  0  0  0  0
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 16 22  1  0  0  0  0
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 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  2  0  0  0  0
 26 28  1  0  0  0  0
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M  END
>  <Mol_ID> (590)
8703

>  <Formula> (590)
C21H42N6O5

>  <MolWeight> (590)
458.59538

>  <Cat> (590)
P1164

>  <Name> (590)
LSKL, Inhibitor of Thrombospondin (TSP-1)

>  <Form> (590)
free base

>  <CAS> (590)
283609-79-0

>  <URL> (590)
http://www.selleckchem.com/products/lskl--Inhibitor-of-thrombospondin--tsp-1--tfa-.html

$$$$
>  <Mol_ID> (591)
8706

>  <Cat> (591)
P1167

>  <Name> (591)
pm26TGF-¦Â1 peptide (TFA)

>  <Form> (591)
free base

>  <URL> (591)
http://www.selleckchem.com/products/pm26tgf-beta1-peptide--tfa-.html

$$$$

csChFnd80/12262214282D

109110  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (592)
8709

>  <Formula> (592)
C68H109N17O22S2

>  <MolWeight> (592)
1580.82376

>  <Cat> (592)
P1218

>  <Name> (592)
Disitertide(P144)

>  <Form> (592)
free base

>  <CAS> (592)
272105-42-7

>  <URL> (592)
http://www.selleckchem.com/products/disitertide.html

$$$$

csChFnd80/12262214282D

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M  END
>  <Mol_ID> (593)
8730

>  <Formula> (593)
C33H54N12O15

>  <MolWeight> (593)
858.85326

>  <Cat> (593)
P1137

>  <Name> (593)
Thymulin

>  <Synonyms> (593)
FTS

>  <Target> (593)
Others

>  <Form> (593)
free base

>  <CAS> (593)
63958-90-7

>  <URL> (593)
http://www.selleckchem.com/products/thymulin.html

$$$$

csChFnd80/12262214282D

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M  END
>  <Mol_ID> (594)
8775

>  <Formula> (594)
C26H27FN10

>  <MolWeight> (594)
498.5579832

>  <Cat> (594)
S8553

>  <Name> (594)
Avapritinib (BLU-285)

>  <Synonyms> (594)
N/A

>  <Target> (594)
PDGFR

>  <Form> (594)
free base

>  <CAS> (594)
1703793-34-3

>  <URL> (594)
http://www.selleckchem.com/products/blu-285.html

$$$$

csChFnd80/12262214282D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (595)
8803

>  <Formula> (595)
C29H34F3N3O6

>  <MolWeight> (595)
577.5919696

>  <Cat> (595)
S8220

>  <Name> (595)
INCB3344

>  <Target> (595)
CCR

>  <Form> (595)
Free base

>  <CAS> (595)
1262238-11-8

>  <URL> (595)
http://www.selleckchem.com/products/incb3344.html

$$$$

csChFnd80/12262214282D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (596)
8804

>  <Formula> (596)
C21H18N4OS

>  <MolWeight> (596)
374.45882

>  <Cat> (596)
S8224

>  <Name> (596)
PF-3644022

>  <Synonyms> (596)
N/A

>  <Form> (596)
Free base

>  <CAS> (596)
1276121-88-0

>  <URL> (596)
http://www.selleckchem.com/products/pf-3644022.html

$$$$

csChFnd80/12262214282D

 40 44  0  0  0  0  0  0  0  0999 V2000
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 38 40  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
>  <Mol_ID> (597)
8809

>  <Formula> (597)
C32H32F3N3O2

>  <MolWeight> (597)
547.6105896

>  <Cat> (597)
S8431

>  <Name> (597)
SPD304

>  <Target> (597)
Others

>  <Form> (597)
Free base

>  <CAS> (597)
869998-49-2

>  <URL> (597)
http://www.selleckchem.com/products/spd304.html

$$$$

csChFnd80/12262214282D

 34 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (598)
8811

>  <Formula> (598)
C27H35N5O2

>  <MolWeight> (598)
461.5991

>  <Cat> (598)
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>  <Name> (598)
Edicotinib(JNJ-40346527)

>  <Target> (598)
CSF-1R

>  <Form> (598)
Free base

>  <CAS> (598)
1142363-52-7

>  <URL> (598)
http://www.selleckchem.com/products/edicotinib.html

$$$$

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M  END
>  <Mol_ID> (599)
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>  <Formula> (599)
C47H57ClFN7O8S

>  <MolWeight> (599)
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>  <Cat> (599)
S0070

>  <Name> (599)
Gefitinib-based PROTAC 3

>  <Synonyms> (599)
N/A

>  <Target> (599)
EGFR

>  <Form> (599)
Free base

>  <CAS> (599)
2230821-27-7

>  <URL> (599)
http://www.selleckchem.com/products/gefitinib-based-protac-3.html

$$$$

csChFnd80/12262214282D

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M  END
>  <Mol_ID> (600)
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>  <Formula> (600)
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>  <MolWeight> (600)
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>  <Cat> (600)
S0437

>  <Name> (600)
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>  <Synonyms> (600)
N/A

>  <Target> (600)
JAK

>  <Form> (600)
Free base

>  <CAS> (600)
1450881-55-6

>  <URL> (600)
http://www.selleckchem.com/products/sar-20347.html

$$$$

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M  END
>  <Mol_ID> (601)
8848

>  <Formula> (601)
C23H27FN4O4

>  <MolWeight> (601)
442.4832832

>  <Cat> (601)
S0504

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SU14813

>  <Synonyms> (601)
SU 014813

>  <Target> (601)
VEGFR

>  <Form> (601)
Free base

>  <CAS> (601)
627908-92-3

>  <URL> (601)
http://www.selleckchem.com/products/su14813.html

$$$$

csChFnd80/12262214282D

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 14  9  1  0  0  0  0
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>  <Mol_ID> (602)
8862

>  <Formula> (602)
C27H29N5O

>  <MolWeight> (602)
439.55206

>  <Cat> (602)
S1034

>  <Name> (602)
NVP-AEW541

>  <Synonyms> (602)
AEW541

>  <Target> (602)
IGF-1R

>  <Form> (602)
Free base

>  <CAS> (602)
475489-16-8

>  <URL> (602)
http://www.selleckchem.com/products/NVP-AEW541.html

$$$$

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>  <Mol_ID> (603)
8869

>  <Formula> (603)
C32H44F3N5O7

>  <MolWeight> (603)
667.7162696

>  <Cat> (603)
S2004

>  <Name> (603)
Vicriviroc Malate

>  <Synonyms> (603)
SCH 417690 (SCH-D) Malate

>  <Target> (603)
CCR

>  <Form> (603)
Malate

>  <CAS> (603)
541503-81-5

>  <URL> (603)
http://www.selleckchem.com/products/Vicriviroc-Malate.html

$$$$

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 10  5  2  0  0  0  0
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 31 34  1  0  0  0  0
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M  END
>  <Mol_ID> (604)
8870

>  <Formula> (604)
C26H22FN7O

>  <MolWeight> (604)
467.4975832

>  <Cat> (604)
S2211

>  <Name> (604)
AG-13958

>  <Synonyms> (604)
AG-013958

>  <Target> (604)
VEGFR

>  <Form> (604)
Free base

>  <CAS> (604)
319460-94-1

>  <URL> (604)
http://www.selleckchem.com/products/ag-13958.html

$$$$

csChFnd80/12262214282D

 36 39  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
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 11 13  1  0  0  0  0
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 22 24  1  0  0  0  0
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 28 32  1  0  0  0  0
 29 30  2  0  0  0  0
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 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
 32 36  2  0  0  0  0
 33 35  2  0  0  0  0
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M  END
>  <Mol_ID> (605)
8874

>  <Formula> (605)
C27H28ClFN6O

>  <MolWeight> (605)
507.0022232

>  <Cat> (605)
S2733

>  <Name> (605)
AV-412 free base

>  <Synonyms> (605)
MP-412 free base

>  <Target> (605)
EGFR

>  <Form> (605)
Free base

>  <CAS> (605)
451492-95-8

>  <URL> (605)
http://www.selleckchem.com/products/av-412-free-base.html

$$$$

csChFnd80/12262214282D

 48 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (606)
8886

>  <Formula> (606)
C32H42F3N5O6

>  <MolWeight> (606)
649.7009896

>  <Cat> (606)
S3494

>  <Name> (606)
Vicriviroc maleate

>  <Synonyms> (606)
SCH-417690 maleate, SCH-D maleate

>  <Target> (606)
CCR

>  <Form> (606)
Maleate

>  <CAS> (606)
599179-03-0

>  <URL> (606)
http://www.selleckchem.com/products/vicriviroc-maleate.html

$$$$

csChFnd80/12262214282D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (607)
8890

>  <Formula> (607)
C23H27FN6O3

>  <MolWeight> (607)
454.4972832

>  <Cat> (607)
S3523

>  <Name> (607)
AZD7507

>  <Target> (607)
CSF-1R

>  <Form> (607)
Free base

>  <CAS> (607)
1041852-85-0

>  <URL> (607)
http://www.selleckchem.com/products/azd7507.html

$$$$

csChFnd80/12262214282D

 55 55  0  0  0  0  0  0  0  0999 V2000
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    5.1974    4.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1710    7.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8015    7.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2975   10.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6668   10.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0996   11.6893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4689   11.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3342   14.6434    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9647   14.3524    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7204    5.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3606   11.1072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9913   10.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2523   10.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7565    5.5967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4250    7.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0226    1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4177    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4177    2.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8129    1.3952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0845    1.3952    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0845    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4797    1.3952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2103    1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6054    1.3952    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6054    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6054    2.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0006    1.3952    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
 13 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
 14 17  1  0  0  0  0
 10 12  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 20 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
  6 18  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 25 30  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  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 39  1  0  0  0  0
 31 39  1  0  0  0  0
 34 39  2  0  0  0  0
 31 40  1  0  0  0  0
 27 33  1  0  0  0  0
 24 25  1  0  0  0  0
  9 24  1  0  0  0  0
  5  7  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  2  0  0  0  0
 42 45  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  2  0  0  0  0
 47 50  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 52 54  2  0  0  0  0
 52 55  1  0  0  0  0
M  END
>  <Mol_ID> (608)
8902

>  <Formula> (608)
C30H41F3N8O11S3

>  <MolWeight> (608)
842.8837496

>  <Cat> (608)
S5984

>  <Name> (608)
AST5902  trimesylate

>  <Synonyms> (608)
N/A

>  <Target> (608)
Others

>  <Form> (608)
Trimesylate

>  <CAS> (608)
2412155-74-7

>  <URL> (608)
http://www.selleckchem.com/products/ast5902.html

$$$$

csChFnd80/12262214282D

 41 44  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4703    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6825    4.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0990    2.7981    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
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 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
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 23  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  3  0  0  0  0
 30 31  1  0  0  0  0
 28 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 34  1  1  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 35  1  0  0  0  0
M  END
>  <Mol_ID> (609)
8928

>  <Formula> (609)
C30H28Cl2FN5O3

>  <MolWeight> (609)
596.4794232

>  <Cat> (609)
S6897

>  <Name> (609)
Epertinib hydrochloride

>  <Synonyms> (609)
Epertinib HCl, S-222611 hydrochloride, S-222611 HCl

>  <Target> (609)
EGFR

>  <Form> (609)
Hydrochloride

>  <CAS> (609)
2071195-74-7

>  <URL> (609)
http://www.selleckchem.com/products/epertinib-hydrochloride.html

$$$$

csChFnd80/12262214282D

 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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4599    3.9550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1599    5.1674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9441    5.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0905    4.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5122    5.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8544    4.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8745    6.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9896    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9695    2.4623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5902    2.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3318    3.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  1  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  7  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 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
  5 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 21  1  0  0  0  0
 21 26  2  0  0  0  0
  2 27  1  0  0  0  0
 24 28  1  1  0  0  0
M  END
>  <Mol_ID> (610)
8942

>  <Formula> (610)
C20H21FN6O

>  <MolWeight> (610)
380.4187432

>  <Cat> (610)
S8636

>  <Name> (610)
Selitrectinib (LOXO-195)

>  <Synonyms> (610)
BAY 2731954

>  <Target> (610)
Trk receptor

>  <Form> (610)
Free base

>  <CAS> (610)
2097002-61-2

>  <URL> (610)
http://www.selleckchem.com/products/loxo-195.html

$$$$

csChFnd80/12262214282D

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.2048   13.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9048   12.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3048   12.4545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0048   13.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3048   14.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4048   13.6669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2277   12.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  7  1  0  0  0  0
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 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 18  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
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 31 32  1  0  0  0  0
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 36 32  2  0  0  0  0
 34 37  1  0  0  0  0
 19 38  1  0  0  0  0
 27 39  1  0  0  0  0
M  END
>  <Mol_ID> (611)
8947

>  <Formula> (611)
C27H32FN9O2

>  <MolWeight> (611)
533.6004832

>  <Cat> (611)
S8716

>  <Name> (611)
Pralsetinib (BLU-667)

>  <Synonyms> (611)
CS 3009, Gavreto

>  <Target> (611)
c-RET

>  <Form> (611)
Free base

>  <CAS> (611)
2097132-94-8

>  <URL> (611)
http://www.selleckchem.com/products/blu-667.html

$$$$

csChFnd80/12262214282D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  2  0  0  0  0
  2 18  2  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
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 19 24  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (612)
8964

>  <Formula> (612)
C17H18N4O3

>  <MolWeight> (612)
326.34982

>  <Cat> (612)
S8869

>  <Name> (612)
UNBS5162

>  <Synonyms> (612)
N/A

>  <Target> (612)
CXCR

>  <Form> (612)
Free base

>  <CAS> (612)
956590-23-1

>  <URL> (612)
http://www.selleckchem.com/products/unbs5162.html

$$$$

csChFnd80/12262214282D

 40 45  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
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 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
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 17 12  1  0  0  0  0
 16 18  2  0  0  0  0
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 15 38  1  0  0  0  0
 38 37  1  0  0  0  0
 37 39  1  1  0  0  0
 30 40  1  0  0  0  0
M  END
>  <Mol_ID> (613)
8971

>  <Formula> (613)
C30H38N8O2

>  <MolWeight> (613)
542.67512

>  <Cat> (613)
S8921

>  <Name> (613)
BI-4020

>  <Synonyms> (613)
N/A

>  <Target> (613)
EGFR

>  <Form> (613)
Free base

>  <CAS> (613)
2664214-60-0

>  <URL> (613)
http://www.selleckchem.com/products/bi-4020.html

$$$$

csChFnd80/12262214282D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1 17  1  0  0  0  0
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  3  9  1  0  0  0  0
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  4 10  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  8 22  3  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 13 22  1  0  0  0  0
 15 17  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
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 20 21  2  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (614)
8988

>  <Formula> (614)
C14H9BrN6O

>  <MolWeight> (614)
357.16486

>  <Cat> (614)
S9516

>  <Name> (614)
SB 265610

>  <Synonyms> (614)
N/A

>  <Target> (614)
CXCR

>  <Form> (614)
Free base

>  <CAS> (614)
211096-49-0

>  <URL> (614)
http://www.selleckchem.com/products/sb-265610.html

$$$$

csChFnd80/12262214282D

 37 37  0  0  0  0  0  0  0  0999 V2000
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M  END
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9001

>  <Formula> (615)
C24H33ClN4O8

>  <MolWeight> (615)
540.99382

>  <Cat> (615)
S9727

>  <Name> (615)
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>  <Synonyms> (615)
Caspase-1 Inhibitor II

>  <Target> (615)
Interleukins

>  <Form> (615)
Free base

>  <URL> (615)
http://www.selleckchem.com/products/ac-yvad-cmk.html

$$$$

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9027

>  <Formula> (616)
C29H25FN4O5

>  <MolWeight> (616)
528.5310032

>  <Cat> (616)
E0142

>  <Name> (616)
XL092

>  <Synonyms> (616)
JUN04542

>  <Target> (616)
c-Met

>  <Form> (616)
Free base

>  <CAS> (616)
2367004-54-2

>  <URL> (616)
http://www.selleckchem.com/products/xl092.html

$$$$

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>  <Mol_ID> (617)
9043

>  <Formula> (617)
C33H38N8O4S

>  <MolWeight> (617)
642.77102

>  <Cat> (617)
E0499

>  <Name> (617)
4SC-203

>  <Synonyms> (617)
SC 71710

>  <Target> (617)
FLT3

>  <Form> (617)
Free base

>  <CAS> (617)
895533-09-2

>  <URL> (617)
http://www.selleckchem.com/products/4sc-203.html

$$$$

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M  END
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9044

>  <Formula> (618)
C27H21N3O3

>  <MolWeight> (618)
435.47394

>  <Cat> (618)
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>  <Synonyms> (618)
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>  <Target> (618)
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Free base

>  <CAS> (618)
1256349-48-0

>  <URL> (618)
http://www.selleckchem.com/products/chiauranib.html

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csChFnd80/12262214282D

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M  END
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9055

>  <Formula> (619)
C25H20Cl2N2O3

>  <MolWeight> (619)
467.3439

>  <Cat> (619)
E1078

>  <Name> (619)
Emvododstat (PTC299)

>  <Target> (619)
VEGFR

>  <Form> (619)
Free base

>  <CAS> (619)
1256565-36-2

>  <URL> (619)
http://www.selleckchem.com/products/emvododstat-ptc299.html

$$$$

csChFnd80/12262214282D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
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9087

>  <Formula> (620)
C21H16ClF3N4

>  <MolWeight> (620)
416.8267496

>  <Cat> (620)
E2387

>  <Name> (620)
FLT3-IN-2

>  <Target> (620)
FLT3

>  <Form> (620)
Free base

>  <CAS> (620)
923562-23-6

>  <URL> (620)
http://www.selleckchem.com/products/flt3-in-2.html

$$$$

csChFnd80/12262214282D

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>  <Mol_ID> (621)
9088

>  <Formula> (621)
C28H23N3O2S

>  <MolWeight> (621)
465.56612

>  <Cat> (621)
E2394

>  <Name> (621)
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>  <Target> (621)
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>  <Form> (621)
Free base

>  <CAS> (621)
2763602-67-9

>  <URL> (621)
http://www.selleckchem.com/products/tgfbetari-in-3.html

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   14.5490    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.8999    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9739    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9739    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1863    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1863    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242   11.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993   12.5999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  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 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  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
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  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 24  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
 24 32  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  2  0  0  0  0
 36 37  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <Mol_ID> (622)
9089

>  <Formula> (622)
C34H43N7O2

>  <MolWeight> (622)
581.75092

>  <Cat> (622)
E2397

>  <Name> (622)
hVEGF-IN-1

>  <Target> (622)
VEGFR

>  <Form> (622)
Free base

>  <CAS> (622)
1637443-98-1

>  <URL> (622)
http://www.selleckchem.com/products/hvegf-in-1.html

$$$$

csChFnd80/12262214282D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.0619    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2744    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9115    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1240    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1240    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5487    6.9998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5487    4.1999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  7 10  1  0  0  0  0
  9  3  1  0  0  0  0
  8  4  1  0  0  0  0
  1 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 11 16  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 23 26  1  0  0  0  0
 22 27  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (623)
9091

>  <Formula> (623)
C18H19ClFN7

>  <MolWeight> (623)
387.8417632

>  <Cat> (623)
E2399

>  <Name> (623)
Falnidamol

>  <Synonyms> (623)
BIBX1382

>  <Target> (623)
EGFR

>  <Form> (623)
Free base

>  <CAS> (623)
196612-93-8

>  <URL> (623)
http://www.selleckchem.com/products/falnidamol.html

$$$$

csChFnd80/12262214282D

 32 35  0  0  0  0  0  0  0  0999 V2000
   14.5198    2.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9447    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4577    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9447    6.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695    6.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4577    1.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3074    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3074    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5198    6.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0950    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8826    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0328    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3923    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
  2 13  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  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
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  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
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
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 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (624)
9097

>  <Formula> (624)
C23H25N7O2

>  <MolWeight> (624)
431.4903

>  <Cat> (624)
E2629

>  <Name> (624)
Vimseltinib

>  <Synonyms> (624)
DCC-3014

>  <Target> (624)
CSF-1R

>  <Form> (624)
Free base

>  <CAS> (624)
1628606-05-2

>  <URL> (624)
http://www.selleckchem.com/products/vimseltinib.html

$$$$

csChFnd80/12262214282D

 12 13  0  0  0  0  0  0  0  0999 V2000
    7.3685    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8528    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1318    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9367    1.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    3.7756    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  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
  8 12  1  0  0  0  0
  7  8  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (625)
9100

>  <Formula> (625)
C9H8N2S

>  <MolWeight> (625)
176.23822

>  <Cat> (625)
E2655

>  <Name> (625)
Terevalefim

>  <Synonyms> (625)
ANG-3777

>  <Target> (625)
c-Met

>  <Form> (625)
Free base

>  <CAS> (625)
1070881-42-3

>  <URL> (625)
http://www.selleckchem.com/products/terevalefim.html

$$$$

csChFnd80/12262214282D

 25 28  0  0  0  0  0  0  0  0999 V2000
    5.9895    0.8843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6895    3.9512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2895    3.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    2.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7281    1.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4895    6.3762    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  7  1  0  0  0  0
  1  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
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  8  6  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13  2  1  0  0  0  0
 14  3  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 10 16  1  0  0  0  0
  9 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
  5 19  1  0  0  0  0
M  END
>  <Mol_ID> (626)
9101

>  <Formula> (626)
C18H14ClFN4O

>  <MolWeight> (626)
356.7813632

>  <Cat> (626)
E2656

>  <Name> (626)
R1530

>  <Target> (626)
VEGFR

>  <Form> (626)
Free base

>  <CAS> (626)
882531-87-5

>  <URL> (626)
http://www.selleckchem.com/products/r1530.html

$$$$

csChFnd80/12262214282D

 35 38  0  0  0  0  0  0  0  0999 V2000
   15.7618    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1618    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3618    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    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
   10.9120    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.8000    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
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 31  1  0  0  0  0
 29 32  1  0  0  0  0
 23 26  1  0  0  0  0
 33 34  1  0  0  0  0
 21 33  1  0  0  0  0
 19 20  1  0  0  0  0
 13 19  1  0  0  0  0
 16 35  1  0  0  0  0
 12 15  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
>  <Mol_ID> (627)
9114

>  <Formula> (627)
C23H28BrN7O3S

>  <MolWeight> (627)
562.48252

>  <Cat> (627)
E2836

>  <Name> (627)
ALK inhibitor 1

>  <Synonyms> (627)
compound 17

>  <Target> (627)
ALK

>  <Form> (627)
Free base

>  <CAS> (627)
761436-81-1

>  <URL> (627)
http://www.selleckchem.com/products/alk-inhibitor-1.html

$$$$

csChFnd80/12262214282D

 86 90  0  0  0  0  0  0  0  0999 V2000
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    3.6373   12.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6074   11.4865    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8199   12.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0323   11.4865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2447   12.1865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4572   11.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696   12.1865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8820   11.4865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0945   12.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3069   11.4865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5194   12.1865    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7318   11.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9442   12.1865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1567   11.4865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.3691   12.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5815   11.4865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6696   13.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8820   14.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8820   15.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696   16.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4572   15.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0916   16.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0945    9.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3069    7.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3069    5.8865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5194    5.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8817    3.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5093    6.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0945   13.5865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5194   13.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7318   14.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   28.8561   11.4865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0686   12.1865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   32.4935   12.1865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   26.4313   10.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4212    9.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5022    0.8861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   31.2810   15.6865    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
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  8  7  1  1  0  0  0
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 21 20  1  0  0  0  0
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  9 23  2  0  0  0  0
 11 24  1  1  0  0  0
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 46 48  2  0  0  0  0
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 63 71  2  0  0  0  0
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  8 75  1  0  0  0  0
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 82 83  1  0  0  0  0
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 84 85  1  0  0  0  0
 84 86  1  0  0  0  0
M  END
>  <Mol_ID> (628)
9139

>  <Formula> (628)
C62H88N14O10

>  <MolWeight> (628)
1189.44992

>  <Cat> (628)
S8505

>  <Name> (628)
LY2510924

>  <Synonyms> (628)
N/A

>  <Target> (628)
CXCR

>  <Form> (628)
Free base

>  <CAS> (628)
1088715-84-7

>  <URL> (628)
http://www.selleckchem.com/products/ly2510924.html

$$$$

csChFnd80/12262214282D

249257  0  0  0  0  0  0  0  0999 V2000
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M  END
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9143

>  <Formula> (629)
C84H118N24O21S2

>  <MolWeight> (629)
1864.11392

>  <Cat> (629)
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>  <Name> (629)
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>  <Synonyms> (629)
N/A

>  <Target> (629)
CXCR

>  <Form> (629)
Free base

>  <CAS> (629)
1051366-32-5

>  <URL> (629)
http://www.selleckchem.com/products/balixafortide-pol6326.html

$$$$

csChFnd80/12262214282D

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>  <Mol_ID> (630)
9151

>  <Formula> (630)
C32H36N8O2

>  <MolWeight> (630)
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>  <Cat> (630)
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>  <Synonyms> (630)
N/A

>  <Target> (630)
CSF-1R

>  <Form> (630)
Free base

>  <CAS> (630)
1313407-95-2

>  <URL> (630)
http://www.selleckchem.com/products/arry-382.html

$$$$

csChFnd80/12262214282D

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  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 27 22  1  0  0  0  0
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 29 21  1  0  0  0  0
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M  END
>  <Mol_ID> (631)
9155

>  <Formula> (631)
C21H21FN6O3

>  <MolWeight> (631)
424.4282432

>  <Cat> (631)
S9826

>  <Name> (631)
TPX-0046

>  <Synonyms> (631)
N/A

>  <Target> (631)
c-RET

>  <Form> (631)
Free base

>  <CAS> (631)
2359650-19-2

>  <URL> (631)
http://www.selleckchem.com/products/tpx-0046.html

$$$$

csChFnd80/12262214282D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (632)
9167

>  <Formula> (632)
C20H20N2O3

>  <MolWeight> (632)
336.3844

>  <Cat> (632)
S0736

>  <Name> (632)
AG 556

>  <Synonyms> (632)
N/A

>  <Target> (632)
EGFR

>  <Form> (632)
Free base

>  <CAS> (632)
133550-41-1

>  <URL> (632)
http://www.selleckchem.com/products/ag-556.html

$$$$

csChFnd80/12262214282D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (633)
9201

>  <Formula> (633)
C20H16N4

>  <MolWeight> (633)
312.36784

>  <Cat> (633)
E2807

>  <Name> (633)
WAY-641966

>  <Target> (633)
TGF-¦Â,p38-¦Á

>  <Form> (633)
Free base

>  <CAS> (633)
259870-32-1

>  <URL> (633)
https://www.selleckchem.com/products/way-641966.html

$$$$

csChFnd80/12262214282D

 35 37  0  0  0  0  0  0  0  0999 V2000
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 28 23  1  0  0  0  0
  9 29  2  0  0  0  0
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M  END
>  <Mol_ID> (634)
9211

>  <Formula> (634)
C25H27N5O4S

>  <MolWeight> (634)
493.57798

>  <Cat> (634)
S2221

>  <Name> (634)
Apatinib (YN968D1)?mesylate

>  <Synonyms> (634)
Rivoceranib mesylate

>  <Target> (634)
VEGFR

>  <Form> (634)
Mesylate

>  <CAS> (634)
1218779-75-9

>  <URL> (634)
http://www.selleckchem.com/products/Apatinib-YN968D1.html

$$$$
