untitled.cdx
csChFnd80/06162113462D

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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
csChFnd80/06162113462D

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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
csChFnd80/06162113462D

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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
csChFnd80/06162113462D

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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
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>  <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

$$$$

csChFnd80/06162113462D

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>  <Mol_ID> (6)
14

>  <Formula> (6)
C21H21FN6O

>  <MolWeight> (6)
392.4294432

>  <Cat> (6)
S1018

>  <Name> (6)
Dovitinib (TKI-258, CHIR-258)

>  <Synonyms> (6)
N/A

>  <Target> (6)
c-Kit, FGFR, Flt, VEGFR, PDGFR 

>  <Form> (6)
Free base

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

>  <URL> (6)
http://www.selleckchem.com/products/CHIR-258.html

$$$$
untitled.cdx
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>  <Mol_ID> (7)
15

>  <Formula> (7)
C22H24ClFN4O3

>  <MolWeight> (7)
446.9023632

>  <Cat> (7)
S1025

>  <Name> (7)
Gefitinib (ZD1839)

>  <Synonyms> (7)
N/A

>  <Target> (7)
EGFR

>  <Form> (7)
Free Base

>  <CAS> (7)
184475-35-2

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

$$$$
Imatinib Mesylate.cdx
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>  <Mol_ID> (8)
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>  <Formula> (8)
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>  <Name> (8)
Imatinib Mesylate (STI571)

>  <Synonyms> (8)
CGP-57148B, ST-1571 Mesylate

>  <Target> (8)
PDGFR, c-Kit, Bcr-Abl

>  <Form> (8)
Mesylate

>  <CAS> (8)
220127-57-1

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

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (9)
17

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C43H42ClFN4O10S3

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S1028

>  <Name> (9)
Lapatinib (GW-572016) Ditosylate

>  <Synonyms> (9)
GW-57201

>  <Target> (9)
EGFR, HER2

>  <Form> (9)
Ditosylat

>  <CAS> (9)
388082-77-7

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

$$$$
untitled.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (10)
18

>  <Formula> (10)
C13H13N3O3

>  <MolWeight> (10)
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>  <Cat> (10)
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>  <Name> (10)
Lenalidomide (CC-5013)

>  <Synonyms> (10)
CC-5013

>  <Target> (10)
TNF-alpha

>  <Form> (10)
Free Base

>  <CAS> (10)
191732-72-6

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

$$$$
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M  END
>  <Mol_ID> (11)
20

>  <Formula> (11)
C22H29N5O9P2

>  <MolWeight> (11)
569.441282

>  <Cat> (11)
S1032

>  <Name> (11)
Motesanib Diphosphate (AMG-706)

>  <Synonyms> (11)
AMG-706

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

>  <Form> (11)
Diphosphate

>  <CAS> (11)
857876-30-3

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

$$$$
untitled.cdx
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>  <Mol_ID> (12)
22

>  <Formula> (12)
C21H24ClN7O2S

>  <MolWeight> (12)
473.97896

>  <Cat> (12)
S1035

>  <Name> (12)
Pazopanib HCl

>  <Synonyms> (12)
GW786034

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

>  <Form> (12)
Hydrochloride

>  <CAS> (12)
635702-64-6

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

$$$$

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>  <Mol_ID> (13)
28

>  <Formula> (13)
C28H24ClF3N4O6S

>  <MolWeight> (13)
637.0265696

>  <Cat> (13)
S1040

>  <Name> (13)
Sorafenib Tosylate

>  <Synonyms> (13)
Bay 43-9006 

>  <Target> (13)
VEGFR, PDGFR, Raf

>  <Form> (13)
Tosylate

>  <CAS> (13)
475207-59-1

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

$$$$

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M  END
>  <Mol_ID> (14)
30

>  <Formula> (14)
C26H33FN4O7

>  <MolWeight> (14)
532.5612232

>  <Cat> (14)
S1042

>  <Name> (14)
Sunitinib Malate

>  <Synonyms> (14)
N/A

>  <Target> (14)
VEGFR, PDGFR, c-Kit, Flt

>  <Form> (14)
Malate

>  <CAS> (14)
341031-54-7

>  <URL> (14)
http://www.selleckchem.com/products/Sunitinib-Malate-(Sutent).html

$$$$
untitled.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (15)
32

>  <Formula> (15)
C23H28N8OS

>  <MolWeight> (15)
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>  <Cat> (15)
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>  <Name> (15)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (15)
N/A 

>  <Target> (15)
Aurora Kinase

>  <Form> (15)
Free Base

>  <CAS> (15)
639089-54-6

>  <URL> (15)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
untitled.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (16)
40

>  <Formula> (16)
C28H30N6OS

>  <MolWeight> (16)
498.6424

>  <Cat> (16)
S1064

>  <Name> (16)
Masitinib (AB1010)

>  <Synonyms> (16)
N/A 

>  <Target> (16)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (16)
Free Base

>  <CAS> (16)
790299-79-5

>  <URL> (16)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

$$$$
untitled.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (17)
42

>  <Formula> (17)
C22H16N4O3

>  <MolWeight> (17)
384.38744

>  <Cat> (17)
S1067

>  <Name> (17)
SB 431542

>  <Synonyms> (17)
N/A

>  <Target> (17)
TGF-beta/Smad

>  <Form> (17)
Free Base

>  <CAS> (17)
301836-41-9

>  <URL> (17)
http://www.selleckchem.com/products/SB-431542.html

$$$$
NVP-AUY922 .cdx
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>  <Mol_ID> (18)
43

>  <Formula> (18)
C26H31N3O5

>  <MolWeight> (18)
465.54144

>  <Cat> (18)
S1069

>  <Name> (18)
Luminespib (AUY-922, NVP-AUY922)

>  <Synonyms> (18)
VER-52296

>  <Target> (18)
HSP

>  <Form> (18)
Free Base

>  <CAS> (18)
747412-49-3

>  <URL> (18)
http://www.selleckchem.com/products/NVP-AUY922.html

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (19)
49

>  <Formula> (19)
C28H30ClN5O4S

>  <MolWeight> (19)
568.0869

>  <Cat> (19)
S1080

>  <Name> (19)
SU11274

>  <Synonyms> (19)
PKI-SU11274

>  <Target> (19)
c-Met 

>  <Form> (19)
Free Base

>  <CAS> (19)
658084-23-2

>  <URL> (19)
http://www.selleckchem.com/products/SU11274.html

$$$$
Brivanib.cdx
csChFnd80/06162113462D

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M  END
>  <Mol_ID> (20)
51

>  <Formula> (20)
C19H19FN4O3

>  <MolWeight> (20)
370.3775632

>  <Cat> (20)
S1084

>  <Name> (20)
Brivanib (BMS-540215)

>  <Synonyms> (20)
N/A 

>  <Target> (20)
VEGFR, FGFR

>  <Form> (20)
Free Base

>  <CAS> (20)
649735-46-6

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

$$$$
NVP-ADW742.cdx
csChFnd80/06162113462D

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M  END
>  <Mol_ID> (21)
54

>  <Formula> (21)
C28H31N5O

>  <MolWeight> (21)
453.57864

>  <Cat> (21)
S1088

>  <Name> (21)
NVP-ADW742

>  <Synonyms> (21)
ADW742

>  <Target> (21)
IGF-1R

>  <Form> (21)
Free Base

>  <CAS> (21)
475488-23-4

>  <URL> (21)
http://www.selleckchem.com/products/NVP-ADW742.html

$$$$
untitled.cdx
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IGF-1R

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Free Base

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1089283-49-7

>  <URL> (22)
http://www.selleckchem.com/products/GSK1904529A.html

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>  <Mol_ID> (23)
58

>  <Formula> (23)
C19H16N8O

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372.38334

>  <Cat> (23)
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PF-04217903

>  <Synonyms> (23)
N/A

>  <Target> (23)
c-Met 

>  <Form> (23)
Free Base

>  <CAS> (23)
956905-27-4

>  <URL> (23)
http://www.selleckchem.com/products/PF-04217903.html

$$$$
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>  <Mol_ID> (24)
62

>  <Formula> (24)
C20H17Cl3N4

>  <MolWeight> (24)
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>  <Cat> (24)
S1101

>  <Name> (24)
Vatalanib (PTK787) 2HCl

>  <Synonyms> (24)
ZK 222584 (cpg-79787) 2HCl

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

>  <Form> (24)
Dihydrochloride

>  <CAS> (24)
212141-51-0

>  <URL> (24)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

$$$$
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>  <Mol_ID> (25)
69

>  <Formula> (25)
C26H30N6O3

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474.5548

>  <Cat> (25)
S1107

>  <Name> (25)
Danusertib (PHA-739358)

>  <Synonyms> (25)
N/A 

>  <Target> (25)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (25)
Free Base

>  <CAS> (25)
827318-97-8

>  <URL> (25)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
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>  <Mol_ID> (26)
72

>  <Formula> (26)
C34H34F2N4O6

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632.6537664

>  <Cat> (26)
S1111

>  <Name> (26)
Foretinib (GSK1363089, XL880)

>  <Synonyms> (26)
N/A 

>  <Target> (26)
c-Met, VEGFR

>  <Form> (26)
Free Base

>  <CAS> (26)
849217-64-7

>  <URL> (26)
http://www.selleckchem.com/products/XL880(GSK1363089,EXEL-2880).html

$$$$
untitled.cdx
csChFnd80/06162113462D

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M  END
>  <Mol_ID> (27)
73

>  <Formula> (27)
C19H13F2N7

>  <MolWeight> (27)
377.3502264

>  <Cat> (27)
S1114

>  <Name> (27)
JNJ-38877605

>  <Synonyms> (27)
N/A

>  <Target> (27)
c-Met 

>  <Form> (27)
Free Base

>  <CAS> (27)
943540-75-8

>  <URL> (27)
http://www.selleckchem.com/products/JNJ-38877605.html

$$$$
XL-184 free base.cdx
csChFnd80/06162113462D

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M  END
>  <Mol_ID> (28)
80

>  <Formula> (28)
C28H24FN3O5

>  <MolWeight> (28)
501.5056632

>  <Cat> (28)
S1119

>  <Name> (28)
Cabozantinib (XL184, BMS-907351)

>  <Synonyms> (28)
N/A

>  <Target> (28)
VEGFR, c-Met, Flt, Tie-2, c-Kit

>  <Form> (28)
Free Base

>  <CAS> (28)
849217-68-1

>  <URL> (28)
http://www.selleckchem.com/products/XL184.html

$$$$

csChFnd80/06162113462D

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Brivanib alaninate (BMS-582664)

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N/A 

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VEGFR, FGFR

>  <Form> (29)
Alaninate

>  <CAS> (29)
649735-63-7

>  <URL> (29)
http://www.selleckchem.com/products/Brivanib-alaninate.html

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98

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CP-724714

>  <Synonyms> (30)
N/A

>  <Target> (30)
EGFR, HER2

>  <Form> (30)
Free Base

>  <CAS> (30)
537705-08-1

>  <URL> (30)
http://www.selleckchem.com/products/CP-724714.html

$$$$
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100

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C24H25ClN6O2

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S1170

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WZ3146

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N/A

>  <Target> (31)
EGFR

>  <Form> (31)
Free Base

>  <CAS> (31)
1214265-56-1

>  <URL> (31)
http://www.selleckchem.com/products/WZ3146.html

$$$$
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>  <Mol_ID> (32)
101

>  <Formula> (32)
C18H20N6OS

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>  <Name> (32)
CYC116

>  <Synonyms> (32)
N/A

>  <Target> (32)
Aurora Kinase, VEGFR

>  <Form> (32)
Free Base

>  <CAS> (32)
693228-63-6

>  <URL> (32)
http://www.selleckchem.com/products/CYC116.html

$$$$

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1213269-23-8

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c-Kit, Raf, VEGFR

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755037-03-7

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EGFR

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Free Base

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1214265-57-2

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http://www.selleckchem.com/products/WZ8040.html

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934353-76-1

>  <URL> (36)
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116

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C23H21F7N4O3

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534.4266624

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S1189

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Aprepitant (MK-0869)

>  <Synonyms> (37)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (37)
Substance P

>  <Form> (37)
Free Base

>  <CAS> (37)
170729-80-3

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

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csChFnd80/06162113462D

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>  <Mol_ID> (38)
120

>  <Formula> (38)
C24H26N4O4

>  <MolWeight> (38)
434.48764

>  <Cat> (38)
S1194

>  <Name> (38)
CUDC-101

>  <Synonyms> (38)
N/A

>  <Target> (38)
HDAC, EGFR, HER2

>  <Form> (38)
Free Base

>  <CAS> (38)
1012054-59-9

>  <URL> (38)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
AV-951.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (39)
125

>  <Formula> (39)
C22H19ClN4O5

>  <MolWeight> (39)
454.86306

>  <Cat> (39)
S1207

>  <Name> (39)
Tivozanib (AV-951)

>  <Synonyms> (39)
N/A 

>  <Target> (39)
VEGFR, c-Kit, PDGFR

>  <Form> (39)
Free Base

>  <CAS> (39)
475108-18-0

>  <URL> (39)
http://www.selleckchem.com/products/AV-951.html

$$$$
OSI-930.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (40)
132

>  <Formula> (40)
C22H16F3N3O2S

>  <MolWeight> (40)
443.4415496

>  <Cat> (40)
S1220

>  <Name> (40)
OSI-930

>  <Synonyms> (40)
N/A

>  <Target> (40)
c-Kit, VEGFR

>  <Form> (40)
Free Base

>  <CAS> (40)
728033-96-3

>  <URL> (40)
http://www.selleckchem.com/products/OSI-930.html

$$$$
MP-470.cdx
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>  <Mol_ID> (41)
144

>  <Formula> (41)
C23H21N5O3S

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Amuvatinib (MP-470)

>  <Synonyms> (41)
N/A 

>  <Target> (41)
c-Met, c-Kit, PDGFR, Flt, c-RET

>  <Form> (41)
Free Base

>  <CAS> (41)
850879-09-3

>  <URL> (41)
http://www.selleckchem.com/products/MP-470.html

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157

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C28H41N7O3

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>  <Cat> (42)
S1264

>  <Name> (42)
PD173074

>  <Synonyms> (42)
N/A

>  <Target> (42)
FGFR, VEGFR

>  <Form> (42)
Free Base

>  <CAS> (42)
219580-11-7

>  <URL> (42)
http://www.selleckchem.com/products/PD-173074.html

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Genistein.cdx
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>  <Mol_ID> (43)
224

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C15H10O5

>  <MolWeight> (43)
270.2369

>  <Cat> (43)
S1342

>  <Name> (43)
Genistein

>  <Synonyms> (43)
N/A

>  <Target> (43)
Topoisomerase
EGFR

>  <Form> (43)
Free Base

>  <CAS> (43)
446-72-0

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

$$$$
mgcd265.cdx
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>  <Mol_ID> (44)
231

>  <Formula> (44)
C26H20FN5O2S2

>  <MolWeight> (44)
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>  <Synonyms> (44)
N/A

>  <Target> (44)
c-Met, VEGFR, Tie-2 

>  <Form> (44)
Free Base

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

>  <URL> (44)
http://www.selleckchem.com/products/MGCD-265.html

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TGF-beta/Smad

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Free Base

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356559-20-1

>  <URL> (49)
http://www.selleckchem.com/products/SB-525334.html

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AEE788 (NVP-AEE788)

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EGFR, Flt, VEGFR, HER2

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>  <CAS> (50)
497839-62-0

>  <URL> (50)
http://www.selleckchem.com/products/AEE788.html

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308

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Ponatinib (AP24534)

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N/A 

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

>  <Form> (51)
Free Base

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

>  <URL> (51)
http://www.selleckchem.com/products/AP24534.html

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321

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N/A 

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Flt

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Free Base

>  <CAS> (52)
950769-58-1

>  <URL> (52)
http://www.selleckchem.com/products/AC-220.html

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286370-15-8

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  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (57)
347

>  <Formula> (57)
C13H11N3O4

>  <MolWeight> (57)
273.24414

>  <Cat> (57)
S1567

>  <Name> (57)
Pomalidomide

>  <Synonyms> (57)
CC-4047

>  <Target> (57)
TNF-alpha, COX

>  <Form> (57)
Free Base

>  <CAS> (57)
19171-19-8

>  <URL> (57)
http://www.selleckchem.com/products/Pomalidomide(CC-4047).html

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/06162113462D

 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> (58)
374

>  <Formula> (58)
C5H9NO3S

>  <MolWeight> (58)
163.19486

>  <Cat> (58)
S1623

>  <Name> (58)
Acetylcysteine

>  <Synonyms> (58)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (58)
AChR

>  <Form> (58)
Free Base

>  <CAS> (58)
616-91-1

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

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/06162113462D

 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
 10 11  1  0  0  0  0
  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> (59)
409

>  <Formula> (59)
C10H20N2S4

>  <MolWeight> (59)
296.5392

>  <Cat> (59)
S1680

>  <Name> (59)
Disulfiram (Antabuse)

>  <Synonyms> (59)
Antabuse, Antabus

>  <Target> (59)
Dehydrogenase

>  <Form> (59)
Free Base

>  <CAS> (59)
97-77-8

>  <URL> (59)
http://www.selleckchem.com/products/Disulfiram(Antabuse).html

$$$$
APRISO (mesalamine).cdx
csChFnd80/06162113462D

 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> (60)
410

>  <Formula> (60)
C7H7NO3

>  <MolWeight> (60)
153.13538

>  <Cat> (60)
S1681

>  <Name> (60)
Mesalamine (Lialda)

>  <Synonyms> (60)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (60)
I¦ÊB/IKK

>  <Form> (60)
Free Base

>  <CAS> (60)
89-57-6

>  <URL> (60)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

$$$$
estradiol.cdx
csChFnd80/06162113462D

 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> (61)
425

>  <Formula> (61)
C18H24O2

>  <MolWeight> (61)
272.38196

>  <Cat> (61)
S1709

>  <Name> (61)
Estradiol

>  <Synonyms> (61)
17¦Â-estradiol, oestradiol, 17¦Â-Oestradiol, ¦Â-Estradiol 

>  <Target> (61)
Estrogen/progestogen Receptor

>  <Form> (61)
Free Base

>  <CAS> (61)
50-28-2

>  <URL> (61)
http://www.selleckchem.com/products/Estradiol.html

$$$$
DCC-2036.cdx
csChFnd80/06162113462D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.3036    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    2.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    4.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    2.7704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1945    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    0.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    2.0728    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6789    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    2.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4707    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    4.7398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    3.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244    2.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9017    6.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421    7.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195    8.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    7.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    6.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6914    9.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003   10.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   10.2127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  2  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
 34 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 35  1  0  0  0  0
M  END
>  <Mol_ID> (62)
427

>  <Formula> (62)
C30H28FN7O3

>  <MolWeight> (62)
553.5868232

>  <Cat> (62)
S2634

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

>  <Synonyms> (62)
N/A 

>  <Target> (62)
Bcr-Abl

>  <Form> (62)
Free Base

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

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

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/06162113462D

 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
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  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
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  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
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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
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  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
 23 25  2  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> (63)
438

>  <Formula> (63)
C22H30O5

>  <MolWeight> (63)
374.4706

>  <Cat> (63)
S1733

>  <Name> (63)
Methylprednisolone

>  <Synonyms> (63)
Medrol, Solu-Medrol, Medrone

>  <Target> (63)
Glucocorticoid Receptor

>  <Form> (63)
Free Base

>  <CAS> (63)
83-43-2

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

$$$$
Methylthiouracil.cdx
csChFnd80/06162113462D

  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
    2.1000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
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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
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  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (64)
481

>  <Formula> (64)
C5H6N2OS

>  <MolWeight> (64)
142.17894

>  <Cat> (64)
S3138

>  <Name> (64)
Methylthiouracil

>  <Synonyms> (64)
N/A

>  <Target> (64)
Others

>  <Form> (64)
Free Base

>  <CAS> (64)
20547

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

$$$$
untitled.cdx
csChFnd80/06162113462D

 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
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    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
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   11.6681    0.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 17 20  1  0  0  0  0
 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> (65)
497

>  <Formula> (65)
C29H41F2N5O

>  <MolWeight> (65)
513.6655464

>  <Cat> (65)
S2003

>  <Name> (65)
Maraviroc

>  <Synonyms> (65)
UK-427857, Celsentri 

>  <Target> (65)
CCR5 

>  <Form> (65)
Free Base

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

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

$$$$
Tanshinone IIA.cdx
csChFnd80/06162113462D

 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
    4.8497    7.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    7.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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> (66)
509

>  <Formula> (66)
C19H18O3

>  <MolWeight> (66)
294.34442

>  <Cat> (66)
S2365

>  <Name> (66)
Tanshinone IIA (Tanshinone B)

>  <Synonyms> (66)
Tanshinone B, Tanshinone II

>  <Target> (66)
Lipase

>  <Form> (66)
Free Base

>  <CAS> (66)
568-72-9

>  <URL> (66)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

$$$$
AMG 458.cdx
csChFnd80/06162113462D

 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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N/A

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HER2, EGFR

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Free Base

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937265-83-3

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

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GW788388

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N/A

>  <Target> (69)
TGF-beta/Smad

>  <Form> (69)
Free Base

>  <CAS> (69)
452342-67-5

>  <URL> (69)
http://www.selleckchem.com/products/gw788388.html

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M  END
>  <Mol_ID> (71)
563

>  <Formula> (71)
C23H19N3O2

>  <MolWeight> (71)
369.41586

>  <Cat> (71)
S2753

>  <Name> (71)
ARQ 197 (Tivantinib)

>  <Synonyms> (71)
N/A 

>  <Target> (71)
c-Met

>  <Form> (71)
Free Base

>  <CAS> (71)
905854-02-6

>  <URL> (71)
http://www.selleckchem.com/products/arq-197.html

$$$$
NVP-BVU972.cdx
csChFnd80/06162113462D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (72)
567

>  <Formula> (72)
C20H16N6

>  <MolWeight> (72)
340.38124

>  <Cat> (72)
S2761

>  <Name> (72)
NVP-BVU972

>  <Synonyms> (72)
N/A

>  <Target> (72)
c-Met

>  <Form> (72)
Free Base

>  <CAS> (72)
1185763-69-2

>  <URL> (72)
http://www.selleckchem.com/products/nvp-bvu972.html

$$$$

csChFnd80/06162113462D

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M  END
>  <Mol_ID> (73)
574

>  <Formula> (73)
C27H33FN6O7

>  <MolWeight> (73)
572.5853232

>  <Cat> (73)
S2769

>  <Name> (73)
Dovitinib Dilactic acid (TKI258 Dilactic aci

>  <Synonyms> (73)
CHIR-258 Dilactic acid 

>  <Target> (73)
Flt, FGFR, PDGFR, VEGFR, c-Kit

>  <Form> (73)
Dilactic Acid 

>  <CAS> (73)
852433-84-2

>  <URL> (73)
http://www.selleckchem.com/products/dovitinib.html

$$$$
AST-1306.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (74)
575

>  <Formula> (74)
C31H26ClFN4O5S

>  <MolWeight> (74)
621.0783432

>  <Cat> (74)
S2185

>  <Name> (74)
AST-1306

>  <Synonyms> (74)
N/A

>  <Target> (74)
EGFR

>  <Form> (74)
Mesylate

>  <CAS> (74)
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>  <URL> (74)
http://www.selleckchem.com/products/ast-1306.html

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>  <CAS> (76)
917879-39-1

>  <URL> (76)
http://www.selleckchem.com/products/mk-2461.html

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871026-44-7

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

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130641-38-2

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1035270-39-3

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http://www.selleckchem.com/products/azd4547.html

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761437-28-9

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>  <Mol_ID> (83)
651

>  <Formula> (83)
C19H21FN2O4

>  <MolWeight> (83)
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>  <Cat> (83)
S3105

>  <Name> (83)
Nadifloxacin

>  <Synonyms> (83)
Nadixa 

>  <Target> (83)
Antifection

>  <Form> (83)
Free Base

>  <CAS> (83)
124858-35-1

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

$$$$
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KW 2449

>  <Synonyms> (84)
N/A

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

>  <Form> (84)
Free Base

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

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

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657

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C24H16F6N6O

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S2161

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RAF265 (CHIR-265)

>  <Synonyms> (85)
N/A 

>  <Target> (85)
Raf, VEGFR

>  <Form> (85)
Free Base

>  <CAS> (85)
927880-90-8

>  <URL> (85)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

$$$$
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csChFnd80/06162113462D

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659

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C9H6O4

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S2554

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Daphnetin

>  <Synonyms> (86)
N/A 

>  <Target> (86)
DNA/RNA Synthesis

>  <Form> (86)
Free Base

>  <CAS> (86)
486-35-1

>  <URL> (86)
http://www.selleckchem.com/products/Daphnetin.html

$$$$
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>  <Mol_ID> (87)
672

>  <Formula> (87)
C23H25ClFN5O3

>  <MolWeight> (87)
473.9277032

>  <Cat> (87)
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AZD8931

>  <Synonyms> (87)
N/A

>  <Target> (87)
EGFR, HER2

>  <Form> (87)
Free Base

>  <CAS> (87)
848942-61-0

>  <URL> (87)
http://www.selleckchem.com/products/AZD8931.html

$$$$
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csChFnd80/06162113462D

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Syk, Flt

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Besylate

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841290-81-1

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http://www.selleckchem.com/products/R406.html

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SGI-1776 free base

>  <Synonyms> (89)
N/A

>  <Target> (89)
Pim

>  <Form> (89)
Free Base

>  <CAS> (89)
1025065-69-3

>  <URL> (89)
http://www.selleckchem.com/products/SGI-1776.html

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678

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S2201

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BMS 794833

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BMS794833

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c-Met, VEGFR

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Free Base

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1174046-72-0

>  <URL> (90)
http://www.selleckchem.com/products/BMS-794833.html

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 24 25  1  0  0  0  0
  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> (91)
680

>  <Formula> (91)
C21H22ClN3O4

>  <MolWeight> (91)
415.87008

>  <Cat> (91)
S2205

>  <Name> (91)
OSI-420 (Desmethyl Erlotinib)

>  <Synonyms> (91)
CP-473420 

>  <Target> (91)
EGFR

>  <Form> (91)
Hydrochloride

>  <CAS> (91)
183320-51-6

>  <URL> (91)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/06162113462D

 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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  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 14 23  1  6  0  0  0
 23 24  2  0  0  0  0
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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
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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> (92)
690

>  <Formula> (92)
C22H18O11

>  <MolWeight> (92)
458.37172

>  <Cat> (92)
S2250

>  <Name> (92)
(-)-Epigallocatechin gallate

>  <Synonyms> (92)
EGCG

>  <Target> (92)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (92)
Free Base

>  <CAS> (92)
989-51-5

>  <URL> (92)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Formononetin.cdx
csChFnd80/06162113462D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (93)
724

>  <Formula> (93)
C16H12O4

>  <MolWeight> (93)
268.26408

>  <Cat> (93)
S2299

>  <Name> (93)
Formononetin (Formononetol)

>  <Synonyms> (93)
Biochanin B, Formononetol 

>  <Target> (93)
Others

>  <Form> (93)
Free Base

>  <CAS> (93)
485-72-3

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

$$$$
Fumalic acid.cdx
csChFnd80/06162113462D

 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
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  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> (94)
725

>  <Formula> (94)
C10H10O4

>  <MolWeight> (94)
194.184

>  <Cat> (94)
S2300

>  <Name> (94)
Fumalic acid (Ferulic acid)

>  <Synonyms> (94)
Ferulic acid

>  <Target> (94)
Others

>  <Form> (94)
Free Base

>  <CAS> (94)
1135-24-6

>  <URL> (94)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

$$$$
Gramine.cdx
csChFnd80/06162113462D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (95)
727

>  <Formula> (95)
C11H14N2

>  <MolWeight> (95)
174.24226

>  <Cat> (95)
S2304

>  <Name> (95)
Gramine

>  <Synonyms> (95)
N/A

>  <Target> (95)
Others

>  <Form> (95)
Free Base

>  <CAS> (95)
87-52-5

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

$$$$
Hesperetin.cdx
csChFnd80/06162113462D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    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> (96)
731

>  <Formula> (96)
C16H14O6

>  <MolWeight> (96)
302.27876

>  <Cat> (96)
S2308

>  <Name> (96)
Hesperetin

>  <Synonyms> (96)
N/A

>  <Target> (96)
Histamine Receptor

>  <Form> (96)
Free Base

>  <CAS> (96)
520-33-2

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

$$$$
Magnolol.cdx
csChFnd80/06162113462D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    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
    4.8927    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (97)
742

>  <Formula> (97)
C18H18O2

>  <MolWeight> (97)
266.33432

>  <Cat> (97)
S2321

>  <Name> (97)
Magnolol

>  <Synonyms> (97)
2,2'-Bichavicol

>  <Target> (97)
NF-¦ÊB

>  <Form> (97)
Free Base

>  <CAS> (97)
528-43-8

>  <URL> (97)
http://www.selleckchem.com/products/Magnolol(2,2-Bichavicol).html

$$$$
Chrysophanic acid.cdx
csChFnd80/06162113462D

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M  END
>  <Mol_ID> (98)
771

>  <Formula> (98)
C15H10O4

>  <MolWeight> (98)
254.2375

>  <Cat> (98)
S2406

>  <Name> (98)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (98)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (98)
EGFR, mTOR

>  <Form> (98)
Free Base

>  <CAS> (98)
481-74-3

>  <URL> (98)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Imatinib.cdx
csChFnd80/06162113462D

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M  END
>  <Mol_ID> (99)
790

>  <Formula> (99)
C29H31N7O

>  <MolWeight> (99)
493.60274

>  <Cat> (99)
S2475

>  <Name> (99)
Imatinib (STI571) 

>  <Synonyms> (99)
STI571, Glivec

>  <Form> (99)
Free Base

>  <CAS> (99)
152459-95-5

>  <URL> (99)
http://www.selleckchem.com/products/Imatinib(STI571).html

$$$$
TG1012009.cdx
csChFnd80/06162113462D

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M  END
>  <Mol_ID> (100)
797

>  <Formula> (100)
C26H35N7O2S

>  <MolWeight> (100)
509.6668

>  <Cat> (100)
S2692

>  <Name> (100)
TG101209

>  <Synonyms> (100)
N/A

>  <Target> (100)
Flt, JAK, c-RET

>  <Form> (100)
Free Base

>  <CAS> (100)
936091-14-4

>  <URL> (100)
http://www.selleckchem.com/products/tg101209.html

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/06162113462D

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VEGFR, PDGFR, c-Kit

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332012-40-5

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http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

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DNA-PK, mTOR, PDGF

>  <Form> (102)
Free Base

>  <CAS> (102)
1092788-83-4

>  <URL> (102)
http://www.selleckchem.com/products/PP121.html

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>  <Target> (103)
PKC

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Free Base

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1009820-21-6

>  <URL> (103)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

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700874-72-2

>  <URL> (104)
http://www.selleckchem.com/products/ly2157299.html

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Syk

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>  <CAS> (105)
901119-35-5

>  <URL> (105)
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Chk

>  <Form> (106)
Free Base

>  <CAS> (106)
405168-58-3

>  <URL> (106)
http://www.selleckchem.com/products/chir-124.html

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>  <Synonyms> (107)
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>  <Target> (107)
IGF-1R

>  <Form> (107)
Free Base

>  <CAS> (107)
1001350-96-4

>  <URL> (107)
http://www.selleckchem.com/products/BMS-754807.html

$$$$
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>  <Name> (108)
Suplatast tosylate

>  <Synonyms> (108)
IPD 1151T

>  <Target> (108)
IL Receptor

>  <Form> (108)
Tosylate

>  <CAS> (108)
94055-76-2

>  <URL> (108)
http://www.selleckchem.com/products/suplatast-tosilate.html

$$$$
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>  <Mol_ID> (109)
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M  END
>  <Mol_ID> (113)
946

>  <Formula> (113)
C24H25ClFN5O2

>  <MolWeight> (113)
469.9390032

>  <Cat> (113)
S2727

>  <Name> (113)
Dacomitinib (PF299804, PF-00299804)

>  <Synonyms> (113)
N/A

>  <Target> (113)
EGFR

>  <Form> (113)
Free Base

>  <CAS> (113)
1110813-31-4

>  <URL> (113)
http://www.selleckchem.com/products/pf299804.html

$$$$
CP868569.cdx
csChFnd80/06162113462D

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M  END
>  <Mol_ID> (114)
952

>  <Formula> (114)
C26H29N5O2

>  <MolWeight> (114)
443.54076

>  <Cat> (114)
S2730

>  <Name> (114)
Crenolanib (CP-868596)

>  <Synonyms> (114)
N/A 

>  <Target> (114)
PDGFR

>  <Form> (114)
Free Base

>  <CAS> (114)
670220-88-9

>  <URL> (114)
http://www.selleckchem.com/products/crenolanib-cp-868596.html

$$$$
AG-1478.cdx
csChFnd80/06162113462D

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 10  3  1  0  0  0  0
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M  END
>  <Mol_ID> (115)
959

>  <Formula> (115)
C16H14ClN3O2

>  <MolWeight> (115)
315.75426

>  <Cat> (115)
S2728

>  <Name> (115)
AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (115)
Tyrphostin AG-1478

>  <Target> (115)
EGFR

>  <Form> (115)
Free Base

>  <CAS> (115)
153436-53-4

>  <URL> (115)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
Butoconazole nitrate.cdx
csChFnd80/06162113462D

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 10  5  1  0  0  0  0
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 13  9  1  0  0  0  0
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 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (116)
979

>  <Formula> (116)
C19H18Cl3N3O3S

>  <MolWeight> (116)
474.78852

>  <Cat> (116)
S1833

>  <Name> (116)
Butoconazole nitrate

>  <Synonyms> (116)
N/A

>  <Target> (116)
Antifection

>  <Form> (116)
Nitrate

>  <CAS> (116)
64872-77-1

>  <URL> (116)
http://www.selleckchem.com/products/butoconazole-nitrate.html

$$$$
CP 673451.cdx
csChFnd80/06162113462D

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CP673451 

>  <Target> (117)
Others

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Free Base

>  <CAS> (117)
343787-29-1

>  <URL> (117)
http://www.selleckchem.com/products/CP-673451.html

$$$$
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csChFnd80/06162113462D

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>  <Mol_ID> (118)
1063

>  <Formula> (118)
C22H19ClN6O2S

>  <MolWeight> (118)
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S2755

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Varlitinib

>  <Synonyms> (118)
ARRY334543

>  <Target> (118)
EGFR

>  <Form> (118)
Free Base

>  <CAS> (118)
845272-21-1

>  <URL> (118)
http://www.selleckchem.com/products/arry334543.html

$$$$
Semaxanib.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (119)
1077

>  <Formula> (119)
C15H14N2O

>  <MolWeight> (119)
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>  <Synonyms> (119)
N/A 

>  <Target> (119)
VEGFR

>  <Form> (119)
Free Base

>  <CAS> (119)
194413-58-6

>  <URL> (119)
http://www.selleckchem.com/products/semaxanib-su5416.html

$$$$
SAR131675.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (120)
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C18H22N4O4

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N/A 

>  <Target> (120)
VEGFR

>  <Form> (120)
Free Base

>  <CAS> (120)
N/A

>  <URL> (120)
http://www.selleckchem.com/products/sar131675.html

$$$$
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Golvatinib (E7050) 

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E7050

>  <Target> (121)
c-Met, VEGFR

>  <Form> (121)
Free Base

>  <CAS> (121)
928037-13-2

>  <URL> (121)
http://www.selleckchem.com/products/golvatinib-e7050.html

$$$$
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1090

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C16H14BrN3O3

>  <MolWeight> (122)
376.20466

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WHI-P154

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N/A

>  <Target> (122)
JAK, EGFR

>  <Form> (122)
Free Base

>  <CAS> (122)
211555-04-3

>  <URL> (122)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Pirfenidone.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (123)
1126

>  <Formula> (123)
C12H11NO

>  <MolWeight> (123)
185.22184

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S2907

>  <Name> (123)
Pirfenidone

>  <Synonyms> (123)
N/A

>  <Target> (123)
TGF-beta/Smad

>  <Form> (123)
Free Base

>  <CAS> (123)
53179-13-8

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

$$$$
ZM323881 HCl.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (124)
1134

>  <Formula> (124)
C22H19ClFN3O2

>  <MolWeight> (124)
411.8565632

>  <Cat> (124)
S2896

>  <Name> (124)
ZM 323881 HCl

>  <Synonyms> (124)
N/A

>  <Target> (124)
VEGFR

>  <Form> (124)
Hydrochloride

>  <CAS> (124)
193000-39-4

>  <URL> (124)
http://www.selleckchem.com/products/zm-323881-hcl.html

$$$$
ZM306416.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (125)
1135

>  <Formula> (125)
C16H13ClFN3O2

>  <MolWeight> (125)
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>  <Cat> (125)
S2897

>  <Name> (125)
ZM 306416

>  <Synonyms> (125)
N/A

>  <Target> (125)
VEGFR

>  <Form> (125)
Free Base

>  <CAS> (125)
690206-97-4

>  <URL> (125)
http://www.selleckchem.com/products/zm-306416.html

$$$$
PF477736.cdx
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952021-60-2

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http://www.selleckchem.com/products/pf-477736.html

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icotinib.cdx
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610798-31-7

>  <URL> (127)
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VEGFR

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444731-52-6

>  <URL> (128)
http://www.selleckchem.com/products/pazopanib.html

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>  <URL> (129)
http://www.selleckchem.com/products/gnf-2.html

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 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 19  1  0  0  0  0
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 27 20  1  6  0  0  0
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 29 31  1  1  0  0  0
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M  END
>  <Mol_ID> (130)
1255

>  <Formula> (130)
C26H23N5O

>  <MolWeight> (130)
421.49372

>  <Cat> (130)
S1091

>  <Name> (130)
OSI-906 (Linsitinib)

>  <Synonyms> (130)
N/A

>  <Target> (130)
IGF-1R

>  <Form> (130)
Free Base

>  <CAS> (130)
867160-71-2

>  <URL> (130)
http://www.selleckchem.com/products/OSI-906.html

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/06162113462D

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (131)
1259

>  <Formula> (131)
C32H30FN3O10

>  <MolWeight> (131)
635.5931032

>  <Cat> (131)
S4001

>  <Name> (131)
Cabozantinib malate

>  <Synonyms> (131)
N/A

>  <Target> (131)
VEGFR

>  <Form> (131)
Malate

>  <CAS> (131)
1140909-48-3

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

$$$$
sennoside B.cdx
csChFnd80/06162113462D

 62 69  0  0  0  0  0  0  0  0999 V2000
    7.2780   10.4953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0634   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0634   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 20  1  0  0  0  0
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 50 56  1  0  0  0  0
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M  END
>  <Mol_ID> (132)
1276

>  <Formula> (132)
C42H38O20

>  <MolWeight> (132)
862.73912

>  <Cat> (132)
S4018

>  <Name> (132)
Sennoside B

>  <Synonyms> (132)
N/A

>  <Target> (132)
Others

>  <Form> (132)
Free Base

>  <CAS> (132)
128-57-4

>  <URL> (132)
http://www.selleckchem.com/products/sennoside-b.html

$$$$
QNZ.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (133)
1281

>  <Formula> (133)
C22H20N4O

>  <MolWeight> (133)
356.4204

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S4902

>  <Name> (133)
QNZ (EVP4593)

>  <Synonyms> (133)
N/A

>  <Target> (133)
NF-¦ÊB

>  <Form> (133)
Free Base

>  <CAS> (133)
545380-34-5

>  <URL> (133)
http://www.selleckchem.com/products/qnz-evp4593.html

$$$$
Cepharanthine.cdx
csChFnd80/06162113462D

 47 54  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (134)
1385

>  <Formula> (134)
C37H38N2O6

>  <MolWeight> (134)
606.70742

>  <Cat> (134)
S4238

>  <Name> (134)
Cepharanthine

>  <Synonyms> (134)
N/A

>  <Target> (134)
TNF-alpha

>  <Form> (134)
Free Base

>  <CAS> (134)
481-49-2

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

$$$$
Aloe-emodin.cdx
csChFnd80/06162113462D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (135)
1458

>  <Formula> (135)
C15H10O5

>  <MolWeight> (135)
270.2369

>  <Cat> (135)
S2259

>  <Name> (135)
Aloe-emodin

>  <Synonyms> (135)
N/A

>  <Target> (135)
Antifection

>  <Form> (135)
Free Base

>  <CAS> (135)
481-72-1

>  <URL> (135)
http://www.selleckchem.com/products/Aloe-emodin.html

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/06162113462D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (136)
1479

>  <Formula> (136)
C15H12O7

>  <MolWeight> (136)
304.25158

>  <Cat> (136)
S2366

>  <Name> (136)
Taxifolin (Dihydroquercetin)

>  <Synonyms> (136)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (136)
VEGFR

>  <Form> (136)
Free Base

>  <CAS> (136)
480-18-2

>  <URL> (136)
http://www.selleckchem.com/products/Taxifolin(Dihydroquercetin).html

$$$$
Diacerein.cdx
csChFnd80/06162113462D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (137)
1484

>  <Formula> (137)
C19H12O8

>  <MolWeight> (137)
368.29378

>  <Cat> (137)
S4267

>  <Name> (137)
Diacerein

>  <Synonyms> (137)
N/A

>  <Target> (137)
IL Receptor

>  <Form> (137)
Free Base

>  <CAS> (137)
13739-02-1

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

$$$$
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C24H25ClFN5O3

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>  <Name> (138)
Afatinib (BIBW2992)

>  <Synonyms> (138)
N/A

>  <Target> (138)
EGFR

>  <Form> (138)
Free Base

>  <CAS> (138)
439081-18-2

>  <URL> (138)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
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csChFnd80/06162113462D

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>  <Formula> (139)
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>  <Name> (139)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (139)
N/A

>  <Target> (139)
FLT3

>  <Form> (139)
Free Base

>  <CAS> (139)
1291074-87-7

>  <URL> (139)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
PF-2341066.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (140)
1549

>  <Formula> (140)
C21H22Cl2FN5O

>  <MolWeight> (140)
450.3366832

>  <Cat> (140)
S1068

>  <Name> (140)
Crizotinib (PF-02341066)

>  <Synonyms> (140)
N/A 

>  <Target> (140)
c-Met, ALK

>  <Form> (140)
Free Base

>  <CAS> (140)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (140)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
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    2.1000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  6 11  1  0  0  0  0
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 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 29 30  1  0  0  0  0
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 31 33  1  0  0  0  0
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 39 34  1  0  0  0  0
M  END
>  <Mol_ID> (141)
1559

>  <Formula> (141)
C27H27FN8O3

>  <MolWeight> (141)
530.5534832

>  <Cat> (141)
S1056

>  <Name> (141)
AC480 (BMS-599626)

>  <Synonyms> (141)
N/A

>  <Target> (141)
HER2

>  <Form> (141)
Free Base

>  <CAS> (141)
714971-09-2

>  <URL> (141)
http://www.selleckchem.com/products/BMS-599626.html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/06162113462D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.9705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3999    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (142)
1688

>  <Formula> (142)
C14H23ClN2O

>  <MolWeight> (142)
270.79822

>  <Cat> (142)
S4667

>  <Name> (142)
Lidocaine hydrochloride

>  <Synonyms> (142)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (142)
Others

>  <Form> (142)
hydrochloride

>  <CAS> (142)
73-78-9

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

$$$$
S4736 Trapidil.cdx
csChFnd80/06162113462D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
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M  END
>  <Mol_ID> (143)
1724

>  <Formula> (143)
C10H15N5

>  <MolWeight> (143)
205.2596

>  <Cat> (143)
S4736

>  <Name> (143)
Trapidil

>  <Synonyms> (143)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (143)
PDGFR

>  <Form> (143)
Free Base

>  <CAS> (143)
15421-84-8

>  <URL> (143)
http://www.selleckchem.com/products/trapidil.html

$$$$
S4738 Arctiin.cdx
csChFnd80/06162113462D

 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
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   19.3227    2.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
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  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
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 17 21  1  0  0  0  0
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 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
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 31 35  1  1  0  0  0
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 34 37  1  6  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (144)
1728

>  <Formula> (144)
C27H34O11

>  <MolWeight> (144)
534.55226

>  <Cat> (144)
S4738

>  <Name> (144)
Arctiin

>  <Synonyms> (144)
Arctigenin-4-Glucoside, NSC 315527

>  <Target> (144)
Others

>  <Form> (144)
Free Base

>  <CAS> (144)
20362-31-6

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

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/06162113462D

 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
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  5  2  1  1  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
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  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
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 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> (145)
1748

>  <Formula> (145)
C18H16O8

>  <MolWeight> (145)
360.31484

>  <Cat> (145)
S3612

>  <Name> (145)
Rosmarinic acid

>  <Synonyms> (145)
Rosemary acid

>  <Target> (145)
IKK ¦Â

>  <Form> (145)
free base

>  <CAS> (145)
20283-92-5

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

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/06162113462D

  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
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    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
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  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (146)
1765

>  <Formula> (146)
C5H12N2S2

>  <MolWeight> (146)
164.29218

>  <Cat> (146)
S3633

>  <Name> (146)
Pyrrolidinedithiocarbamate ammonium

>  <Synonyms> (146)
APDC, PDTC

>  <Target> (146)
NF-¦ÊB

>  <Form> (146)
ammonium salt

>  <CAS> (146)
5108-96-3

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

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/06162113462D

 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
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   15.7863    9.8032    0.0000 C   0  0  1  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
   10.9289    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7863    5.5710    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
    1.2143    1.3744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0720   12.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5361    6.9639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  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
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 12 10  1  0  0  0  0
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 15 13  1  0  0  0  0
 21 14  1  0  0  0  0
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 36 15  2  0  0  0  0
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 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> (147)
1766

>  <Formula> (147)
C42H68N2O16

>  <MolWeight> (147)
856.99312

>  <Cat> (147)
S3622

>  <Name> (147)
Diammonium Glycyrrhizinate

>  <Synonyms> (147)
N/A

>  <Target> (147)
Others

>  <Form> (147)
ammonium salt 

>  <CAS> (147)
79165-06-3

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

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/06162113462D

 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
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   15.7840    7.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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M  END
>  <Mol_ID> (148)
1839

>  <Formula> (148)
C17H17N3Na2O8

>  <MolWeight> (148)
437.31172

>  <Cat> (148)
S3745

>  <Name> (148)
Balsalazide disodium

>  <Synonyms> (148)
N/A

>  <Target> (148)
Immunology & Inflammation related

>  <Form> (148)
disodium salt dihydrate

>  <CAS> (148)
150399-21-6

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

$$$$
S3741 Benznidazole.cdx
csChFnd80/06162113462D

 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
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    1.5043    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  6  9  2  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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 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (149)
1864

>  <Formula> (149)
C12H12N4O3

>  <MolWeight> (149)
260.24868

>  <Cat> (149)
S3741

>  <Name> (149)
Benznidazole

>  <Synonyms> (149)
Radanil

>  <Target> (149)
Antifection

>  <Form> (149)
free base

>  <CAS> (149)
22994-85-0

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

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/06162113462D

 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
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    4.9085    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   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
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  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> (150)
1882

>  <Formula> (150)
C18H22O4

>  <MolWeight> (150)
302.36488

>  <Cat> (150)
S3984

>  <Name> (150)
Nordihydroguaiaretic acid

>  <Synonyms> (150)
N/A

>  <Target> (150)
lipoxygenase

>  <Form> (150)
free base

>  <CAS> (150)
500-38-9

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

$$$$
S3822 Schisandrin A.cdx
csChFnd80/06162113462D

 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> (151)
1893

>  <Formula> (151)
C24H32O6

>  <MolWeight> (151)
416.50728

>  <Cat> (151)
S3822

>  <Name> (151)
Schisandrin A

>  <Synonyms> (151)
Deoxyschizandrin, Wuweizisu A

>  <Target> (151)
AdipoR2

>  <Form> (151)
free base

>  <CAS> (151)
61281-38-7

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

$$$$
S3827 Royal jelly acid.cdx
csChFnd80/06162113462D

 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
    7.2746    2.1000    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
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    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
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (152)
1898

>  <Formula> (152)
C10H18O3

>  <MolWeight> (152)
186.24812

>  <Cat> (152)
S3827

>  <Name> (152)
Royal jelly acid

>  <Synonyms> (152)
10-Hydroxy-trans-2-decenoic acid, 10H2DA|

>  <Target> (152)
Others

>  <Form> (152)
free base

>  <CAS> (152)
14113-05-4

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

$$$$
S3759 Norcantharidin.cdx
csChFnd80/06162113462D

 12 14  0  0  0  0  0  0  0  0999 V2000
    0.2182    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    1.4028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5609    1.7635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5640    3.1635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2213    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.8028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7168    2.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444    3.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4040    4.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (153)
1919

>  <Formula> (153)
C8H8O4

>  <MolWeight> (153)
168.14672

>  <Cat> (153)
S3759

>  <Name> (153)
Norcantharidin

>  <Synonyms> (153)
Endothall anhydride

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

>  <Form> (153)
free base

>  <CAS> (153)
29745-04-8

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

$$$$
S3931 Ginsenoside Rd.cdx
csChFnd80/06162113462D

 69 75  0  0  0  0  0  0  0  0999 V2000
   13.4161    8.4662    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5923    7.7521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1667    7.7521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4161    9.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8733    8.4662    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5923    6.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5923    8.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667    6.2925    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9275    8.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667    9.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5923   10.6190    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8733    9.8628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.2069    8.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8733    7.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4161    5.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9275    5.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7093    7.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5923   11.9842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2069   10.3669    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4955    5.6051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7093    6.2925    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5156    4.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3918    4.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6164   11.6691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2819    6.3058    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.6796   13.0764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9818   11.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3984   12.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0649    5.6032    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2819    7.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0649    4.2022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0598    8.4162    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.0995   13.0764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8896   15.1720    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.2815   11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8515    3.5016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6349    5.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0598    9.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3095   13.7749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.0995   15.8706    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.6796   15.8706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2792   10.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    4.2013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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Ginsenoside Rd

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Panaxoside Rd, Sanchinoside Rd

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Others

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free base

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52705-93-8

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

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TGF-beta/Smad

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Free Base

>  <CAS> (155)
700874-71-1 

>  <URL> (155)
http://www.selleckchem.com/products/ly2109761.html

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>  <Mol_ID> (156)
2002

>  <Formula> (156)
C23H17FN6O

>  <MolWeight> (156)
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>  <Cat> (156)
S2788

>  <Name> (156)
Capmatinib (INCB28060)

>  <Synonyms> (156)
N/A

>  <Target> (156)
c-Met 

>  <Form> (156)
Free Base

>  <CAS> (156)
1029712-80-8

>  <URL> (156)
http://www.selleckchem.com/products/incb28060.html

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>  <Mol_ID> (157)
2003

>  <Formula> (157)
C28H62Cl8N8

>  <MolWeight> (157)
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>  <Cat> (157)
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>  <Name> (157)
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>  <Synonyms> (157)
AMD3100 

>  <Target> (157)
CXCR

>  <Form> (157)
Octahydrochloride 

>  <CAS> (157)
155148-31-5

>  <URL> (157)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

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N/A

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TGF-beta/Smad

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396129-53-6

>  <URL> (158)
http://www.selleckchem.com/products/ly364947.html

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C17H13BrN4O

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PD168393

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N/A

>  <Target> (159)
EGFR

>  <Form> (159)
Free Base

>  <CAS> (159)
194423-15-9

>  <URL> (159)
https://www.selleckchem.com/products/pd168393.html

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2021

>  <Formula> (160)
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>  <MolWeight> (160)
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>  <Cat> (160)
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>  <Name> (160)
PRT062607 (P505-15, PRT2607, BIIB057) HCl

>  <Synonyms> (160)
N/A

>  <Target> (160)
Syk

>  <Form> (160)
Hydrochloride

>  <CAS> (160)
1370261-97-4,1370261-96-3(free base)

>  <URL> (160)
https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

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N/A

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ALK

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1032900-25-6

>  <URL> (161)
http://www.selleckchem.com/products/ldk378.html

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M  END
>  <Mol_ID> (165)
2127

>  <Formula> (165)
C15H12O2

>  <MolWeight> (165)
224.25458

>  <Cat> (165)
S4763

>  <Name> (165)
4-Hydroxychalcone

>  <Synonyms> (165)
P-Cinnamoylphenol

>  <Target> (165)
Others

>  <Form> (165)
free base

>  <CAS> (165)
20426-12-4

>  <URL> (165)
http://www.selleckchem.com/products/4-hydroxychalcone.html

$$$$
S3951 Tannic acid.cdx
csChFnd80/06162113462D

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M  END
>  <Mol_ID> (166)
2135

>  <Formula> (166)
C76H52O46

>  <MolWeight> (166)
1701.19848

>  <Cat> (166)
S3951

>  <Name> (166)
Tannic acid

>  <Synonyms> (166)
Gallotannic acid

>  <Target> (166)
CXCR4 

>  <Form> (166)
free base

>  <CAS> (166)
1401-55-4

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

$$$$
S4966 4-Methylesculetin.cdx
csChFnd80/06162113462D

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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
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  8  9  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (167)
2250

>  <Formula> (167)
C10H8O4

>  <MolWeight> (167)
192.16812

>  <Cat> (167)
S4966

>  <Name> (167)
4-Methylesculetin

>  <Synonyms> (167)
N/A

>  <Target> (167)
Immunology & Inflammation related

>  <Form> (167)
free base

>  <CAS> (167)
529-84-0

>  <URL> (167)
http://selleckchem.com/products/methylesculetin.html

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/06162113462D

 32 32  0  0  0  0  0  0  0  0999 V2000
   11.0894    3.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6853    3.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5365    2.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0148    4.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4129    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9090    1.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3873    4.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.7281    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9085    6.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7728    6.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3465   11.0407    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
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 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (168)
2259

>  <Formula> (168)
C25H36Cl2N2O3

>  <MolWeight> (168)
483.47094

>  <Cat> (168)
S5020

>  <Name> (168)
Tilorone dihydrochloride

>  <Synonyms> (168)
N/A

>  <Target> (168)
Anti-infection

>  <Form> (168)
dihydrochloride 

>  <CAS> (168)
27591-69-1

>  <URL> (168)
http://selleckchem.com/products/tilorone-dihydrochloride.html

$$$$
S4937 4'-Hydroxychalcone.cdx
csChFnd80/06162113462D

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.2689    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8445    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6323    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4201    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9281    4.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    3.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4886    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
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (169)
2262

>  <Formula> (169)
C15H12O2

>  <MolWeight> (169)
224.25458

>  <Cat> (169)
S4937

>  <Name> (169)
4'-Hydroxychalcone

>  <Synonyms> (169)
P-Cinnamoylphenol

>  <Target> (169)
Others

>  <Form> (169)
free base

>  <CAS> (169)
2657-25-2

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

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/06162113462D

 68 74  0  0  0  0  0  0  0  0999 V2000
    6.9238    8.9622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0285    9.6191    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6762    9.6479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9525    7.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8666   10.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0475   11.0288    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3238    9.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5239    8.9905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.6000   16.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 48 68  1  6  0  0  0
M  END
>  <Mol_ID> (170)
2270

>  <Formula> (170)
C47H80O18

>  <MolWeight> (170)
933.1273

>  <Cat> (170)
S3785

>  <Name> (170)
Notoginsenoside R1

>  <Synonyms> (170)
Sanchinoside R1

>  <Target> (170)
Others

>  <Form> (170)
free base

>  <CAS> (170)
80418-24-2

>  <URL> (170)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
S3969 Veratric acid.cdx
csChFnd80/06162113462D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4262    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (171)
2273

>  <Formula> (171)
C9H10O4

>  <MolWeight> (171)
182.1733

>  <Cat> (171)
S3969

>  <Name> (171)
Veratric acid

>  <Synonyms> (171)
3,4-Dimethoxybenzoic acid

>  <Target> (171)
Immunology & Inflammation related

>  <Form> (171)
free base

>  <CAS> (171)
34152

>  <URL> (171)
http://selleckchem.com/products/veratric-acid.html

$$$$
SNS-314 Mesylate.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (172)
2284

>  <Formula> (172)
C19H19ClN6O4S3

>  <MolWeight> (172)
527.03996

>  <Cat> (172)
S1154

>  <Name> (172)
SNS-314 Mesylate

>  <Synonyms> (172)
N/A

>  <Target> (172)
Aurora Kinase

>  <Form> (172)
Mesylate

>  <CAS> (172)
1146618-41-8

>  <URL> (172)
http://www.selleckchem.com/products/SNS-314.html

$$$$
untitled.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (173)
2289

>  <Formula> (173)
C24H25ClFN5O3

>  <MolWeight> (173)
485.9384032

>  <Cat> (173)
S1019

>  <Name> (173)
CI-1033 (Canertinib)

>  <Synonyms> (173)
PD-183805 

>  <Target> (173)
EGFR, HER2

>  <Form> (173)
Free Base

>  <CAS> (173)
267243-28-7

>  <URL> (173)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
csChFnd80/06162113462D

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M  END
>  <Mol_ID> (174)
2291

>  <Formula> (174)
C31H42N6O4

>  <MolWeight> (174)
562.70298

>  <Cat> (174)
S1043

>  <Name> (174)
Tandutinib (MLN518)

>  <Synonyms> (174)
CT53518

>  <Target> (174)
Flt

>  <Form> (174)
Free Base

>  <CAS> (174)
387867-13-2

>  <URL> (174)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

$$$$
untitled.cdx
csChFnd80/06162113462D

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    6.0496    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2927    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
    3.6331    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    0.0024    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  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
 10  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 24 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (175)
2292

>  <Formula> (175)
C22H24BrFN4O2

>  <MolWeight> (175)
475.3539632

>  <Cat> (175)
S1046

>  <Name> (175)
Vandetanib (ZD6474)

>  <Synonyms> (175)
N/A

>  <Target> (175)
VEGFR

>  <Form> (175)
Free Base

>  <CAS> (175)
443913-73-3

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

$$$$
PQ 401.cdx
csChFnd80/06162113462D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0588    4.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    6.2880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    4.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    0.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2154    2.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    4.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    6.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    8.3880    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  9 14  1  0  0  0  0
  6 15  1  0  0  0  0
  4  8  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (176)
2322

>  <Formula> (176)
C18H16ClN3O2

>  <MolWeight> (176)
341.79154

>  <Cat> (176)
S8003

>  <Name> (176)
PQ 401

>  <Synonyms> (176)
N/A

>  <Target> (176)
IGF-1R

>  <Form> (176)
Free Base

>  <CAS> (176)
196868-63-0

>  <URL> (176)
http://www.selleckchem.com/products/pq-401.html

$$$$

csChFnd80/06162113462D

 37 40  0  0  0  0  0  0  0  0999 V2000
    8.2594    6.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8594    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1594    7.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1594    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    5.5497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365    5.9824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365    3.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    4.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555    1.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3097    4.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.1244    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881    2.7702    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7784    0.8147    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9594    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3594    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0594    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2594    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4594    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5594    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4594    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2594    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6594    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3594    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6594    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2594    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7594    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4594    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3594    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7594    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
  9 11  1  0  0  0  0
  4  7  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 24 33  2  0  0  0  0
 28 33  1  0  0  0  0
 23 27  1  0  0  0  0
 34 35  1  0  0  0  0
 31 34  1  0  0  0  0
 36 37  1  0  0  0  0
 30 36  1  0  0  0  0
 19 23  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
>  <Mol_ID> (177)
2325

>  <Formula> (177)
C24H22F3N5O5

>  <MolWeight> (177)
517.4571896

>  <Cat> (177)
S8015

>  <Name> (177)
CEP-32496

>  <Synonyms> (177)
N/A

>  <Target> (177)
Raf

>  <Form> (177)
Free Base

>  <CAS> (177)
1188910-76-0

>  <URL> (177)
http://www.selleckchem.com/products/cep-32496.html

$$$$
AP26113.cdx
csChFnd80/06162113462D

 36 39  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 N   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
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   16.2741    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6741    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  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
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 10 15  1  0  0  0  0
  8  9  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 31  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 29 32  1  0  0  0  0
 22 26  1  0  0  0  0
  7 19  1  0  0  0  0
  4 35  1  0  0  0  0
 25 36  1  0  0  0  0
M  END
>  <Mol_ID> (178)
2329

>  <Formula> (178)
C26H34ClN6O2P

>  <MolWeight> (178)
529.013921

>  <Cat> (178)
S7000

>  <Name> (178)
AP26113

>  <Synonyms> (178)
N/A

>  <Target> (178)
ALK

>  <Form> (178)
Free Base

>  <CAS> (178)
1197958-12-5

>  <URL> (178)
http://www.selleckchem.com/products/ap26113.html

$$$$
AG-1296.cdx
csChFnd80/06162113462D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.0660    2.8113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2785    2.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2785    0.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0709    0.0163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8647    0.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6453    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4402    0.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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146535-11-7

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FLT3

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301305-73-7

>  <URL> (180)
http://www.selleckchem.com/products/tcs-359.html

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$$$$
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GW2580.cdx
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C15H12O5

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Butein

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N/A

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EGFR

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Free Base

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487-52-5

>  <URL> (184)
https://www.selleckchem.com/products/butein.html

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C18H13N7S

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SGX-523

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N/A

>  <Target> (185)
c-Met 

>  <Form> (185)
Free Base

>  <CAS> (185)
1022150-57-7

>  <URL> (185)
http://www.selleckchem.com/products/SGX-523.html

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>  <Mol_ID> (186)
2376

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C22H24ClN3O4

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429.89666

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S1023

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Erlotinib(OSI-744)

>  <Synonyms> (186)
(CP358774, NSC 718781) HCl

>  <Target> (186)
EGFR

>  <Form> (186)
Hydrochloride

>  <CAS> (186)
183319-69-9

>  <URL> (186)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

$$$$
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2433

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R935788 (Fostamatinib disodium)

>  <Synonyms> (187)
N/A 

>  <Target> (187)
Syk

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Sodium Salt

>  <CAS> (187)
1025687-58-4

>  <URL> (187)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

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EGFR

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1421373-98-9

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c-Met

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1221713-92-3

>  <URL> (189)
http://www.selleckchem.com/products/nps-1034.html

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>  <URL> (190)
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$$$$
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FLLL32

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>  <Target> (191)
JAK

>  <Form> (191)
Free Base

>  <CAS> (191)
1226895-15-3

>  <URL> (191)
http://www.selleckchem.com/products/flll32.html

$$$$
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csChFnd80/06162113462D

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>  <Formula> (192)
C20H18FNO4

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S7262

>  <Name> (192)
Vidofludimus

>  <Synonyms> (192)
SC12267, 4SC-101

>  <Target> (192)
Dehydrogenase

>  <Form> (192)
Free Base

>  <CAS> (192)
717824-30-1

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

$$$$
Tiplaxtinin(PAI-039).cdx
csChFnd80/06162113462D

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>  <Formula> (193)
C24H16F3NO4

>  <MolWeight> (193)
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>  <Cat> (193)
S7922

>  <Name> (193)
Tiplaxtinin (PAI-039)

>  <Synonyms> (193)
N/A

>  <Target> (193)
Others

>  <Form> (193)
Free Base

>  <CAS> (193)
393105-53-8

>  <URL> (193)
http://www.selleckchem.com/products/tiplaxtinin-pai-039.html

$$$$

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>  <Formula> (194)
C17H16N2O3

>  <MolWeight> (194)
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>  <Cat> (194)
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SU5402

>  <Synonyms> (194)
N/A

>  <Target> (194)
VEGFR

>  <Form> (194)
Free Base

>  <CAS> (194)
215543-92-3

>  <URL> (194)
http://www.selleckchem.com/products/su5402.html

$$$$
UNC2025.cdx
csChFnd80/06162113462D

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N/A

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TAM Receptor

>  <Form> (195)
hydrochloride salt

>  <CAS> (195)
1429881-91-3

>  <URL> (195)
http://www.selleckchem.com/products/unc-2025.html

$$$$
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csChFnd80/06162113462D

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M  END
>  <Mol_ID> (196)
2549

>  <Formula> (196)
C24H26N4O

>  <MolWeight> (196)
386.48944

>  <Cat> (196)
S7963

>  <Name> (196)
TIC10

>  <Synonyms> (196)
N/A

>  <Target> (196)
Akt

>  <Form> (196)
Free Base

>  <CAS> (196)
1616632-77-9

>  <URL> (196)
http://www.selleck.cn/products/tic-10.html

$$$$
S3761 Eucalyptol.cdx
csChFnd80/06162113462D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (197)
2572

>  <Formula> (197)
C10H18O

>  <MolWeight> (197)
154.24932

>  <Cat> (197)
S3761

>  <Name> (197)
Eucalyptol

>  <Synonyms> (197)
1,8-cineol; 1,8-cineole|cajeputol; 1,8-epoxy-p-menthane; 1,8-oxido-p-menthane; cineol; cineole

>  <Target> (197)
Others

>  <Form> (197)
free base

>  <CAS> (197)
470-82-6

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

$$$$
S3871 Muscone.cdx
csChFnd80/06162113462D

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M  END
>  <Mol_ID> (198)
2587

>  <Formula> (198)
C16H30O

>  <MolWeight> (198)
238.4088

>  <Cat> (198)
S3871

>  <Name> (198)
Muscone

>  <Synonyms> (198)
3-Methylcyclopentadecanone, Methylexaltone

>  <Target> (198)
Immunology & Inflammation

>  <Form> (198)
free base

>  <CAS> (198)
541-91-3

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

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/06162113462D

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M  END
>  <Mol_ID> (199)
2593

>  <Formula> (199)
C17H15N9

>  <MolWeight> (199)
345.3613

>  <Cat> (199)
S7674

>  <Name> (199)
Savolitinib(AZD6094, HMPL-504)

>  <Synonyms> (199)
Volitinib

>  <Target> (199)
MET

>  <Form> (199)
free base

>  <CAS> (199)
1313725-88-0

>  <URL> (199)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
SC144.cdx
csChFnd80/06162113462D

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M  END
>  <Mol_ID> (200)
2621

>  <Formula> (200)
C16H11FN6O

>  <MolWeight> (200)
322.2965432

>  <Cat> (200)
S7124

>  <Name> (200)
SC144

>  <Synonyms> (200)
N/A

>  <Target> (200)
P-gp

>  <Form> (200)
Free Base

>  <CAS> (200)
895158-95-9

>  <URL> (200)
http://www.selleckchem.com/products/sc144.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/06162113462D

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>  <Mol_ID> (201)
2628

>  <Formula> (201)
C17H13N5

>  <MolWeight> (201)
287.31862

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S7223

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RepSox

>  <Synonyms> (201)
E-616452, SJN 2511

>  <Target> (201)
TGF-beta/Smad

>  <Form> (201)
Free Base

>  <CAS> (201)
446859-33-2

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

$$$$
CO-1686(AVL-301).cdx
csChFnd80/06162113462D

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>  <Mol_ID> (202)
2648

>  <Formula> (202)
C27H28F3N7O3

>  <MolWeight> (202)
555.5515296

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S7284

>  <Name> (202)
Rociletinib (CO-1686, AVL-301)

>  <Synonyms> (202)
CNX-419, AVL-301

>  <Target> (202)
EGFR

>  <Form> (202)
Free Base

>  <CAS> (202)
1374640-70-6

>  <URL> (202)
http://www.selleckchem.com/products/co-1686.html

$$$$
pentoxifylline.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (203)
2693

>  <Formula> (203)
C13H18N4O3

>  <MolWeight> (203)
278.30702

>  <Cat> (203)
S4345

>  <Name> (203)
pentoxifylline

>  <Synonyms> (203)
N/A

>  <Target> (203)
Others

>  <Form> (203)
Free Base

>  <CAS> (203)
1677687

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

$$$$
SSR128129E (SSR).cdx
csChFnd80/06162113462D

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>  <Mol_ID> (204)
2715

>  <Formula> (204)
C18H15N2NaO4

>  <MolWeight> (204)
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>  <Cat> (204)
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>  <Name> (204)
SSR128129E (SSR)

>  <Synonyms> (204)
SSR

>  <Target> (204)
FGFR

>  <Form> (204)
Free Base

>  <CAS> (204)
848318-25-2

>  <URL> (204)
http://www.selleckchem.com/products/ssr128129e.html

$$$$
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csChFnd80/06162113462D

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2726

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C28H32N4O3

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Pacritinib (SB1518)

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N/A

>  <Target> (205)
JAK

>  <Form> (205)
Free Base

>  <CAS> (205)
937272-79-2

>  <URL> (205)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
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2729

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C21H16ClF3N4O3

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S7397

>  <Name> (206)
Sorafenib

>  <Synonyms> (206)
BAY 43-9006

>  <Target> (206)
Raf

>  <Form> (206)
Free Base

>  <CAS> (206)
284461-73-0

>  <URL> (206)
http://www.selleckchem.com/products/sorafenib.html

$$$$
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csChFnd80/06162113462D

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>  <Mol_ID> (207)
2751

>  <Formula> (207)
C20H20N2O4

>  <MolWeight> (207)
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K02288

>  <Synonyms> (207)
N/A

>  <Target> (207)
TGF-beta/Smad

>  <Form> (207)
Free Base

>  <CAS> (207)
1431985-92-0

>  <URL> (207)
http://www.selleckchem.com/products/k02288.html

$$$$
AdipoRon.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (208)
2752

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Adiporon

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Others

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>  <CAS> (208)
924416-43-3

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

$$$$
LDN193189 HCl.cdx
csChFnd80/06162113462D

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LDN193189 HCl

>  <Synonyms> (209)
N/A

>  <Target> (209)
TGF-beta/Smad

>  <Form> (209)
Hydrochloride

>  <CAS> (209)
1062368-62-0

>  <URL> (209)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
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>  <Synonyms> (210)
N/A

>  <Target> (210)
VEGFR

>  <Form> (210)
Free Base

>  <CAS> (210)
1225451-84-2

>  <URL> (210)
http://www.selleckchem.com/products/sklb1002.html

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VGX-1027

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GIT 27

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Immunology & Inflammation related

>  <Form> (211)
Free Base

>  <CAS> (211)
6501-72-0

>  <URL> (211)
http://www.selleckchem.com/products/vgx-1027.html

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ML347

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N/A

>  <Target> (212)
TGF-beta/Smad

>  <Form> (212)
Free Base

>  <CAS> (212)
1062368-49-3

>  <URL> (212)
http://www.selleckchem.com/products/ml347.html

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Entospletinib (GS-9973)

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Syk

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1229208-44-9

>  <URL> (213)
http://www.selleckchem.com/products/gs-9973.html

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1432597-26-6

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1421373-65-0

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http://www.selleckchem.com/products/azd9291.html

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FGFR

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Free Base

>  <CAS> (218)
1254473-64-7

>  <URL> (218)
http://www.selleckchem.com/products/ly2874455.html

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FLT3

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Free Base

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1457983-28-6

>  <URL> (219)
http://www.selleckchem.com/products/g-749.html

$$$$
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EW-7197

>  <Synonyms> (220)
N/A

>  <Target> (220)
TGF-beta/Smad

>  <Form> (220)
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>  <CAS> (220)
1352608-82-2

>  <URL> (220)
http://www.selleckchem.com/products/ew-7197.html

$$$$
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>  <Form> (221)
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>  <CAS> (221)
4727-31-5

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

$$$$
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Picropodophyllin (PPP)

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AXL1717

>  <Target> (222)
IGF-1R

>  <Form> (222)
Free Base

>  <CAS> (222)
477-47-4

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

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/06162113462D

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2965

>  <Formula> (223)
C23H21Cl2FN4O3

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491.3422432

>  <Cat> (223)
S7358

>  <Name> (223)
Poziotinib (HM781-36B)

>  <Synonyms> (223)
NOV120101

>  <Target> (223)
EGFR

>  <Form> (223)
Free Base

>  <CAS> (223)
1092364-38-9

>  <URL> (223)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
SD208.cdx
csChFnd80/06162113462D

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2980

>  <Formula> (224)
C17H10ClFN6

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352.7529032

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S7624

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SD-208

>  <Synonyms> (224)
N/A

>  <Target> (224)
TGF-beta/Smad

>  <Form> (224)
Free Base

>  <CAS> (224)
627536-09-8

>  <URL> (224)
http://www.selleckchem.com/products/sd-208.html

$$$$
Dovitinib Lactate.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (225)
2989

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C24H27FN6O4

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>  <Name> (225)
Dovitinib (TKI258) Lactate

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N/A

>  <Target> (225)
FLT3

>  <Form> (225)
Lactate

>  <CAS> (225)
915769-50-5

>  <URL> (225)
http://www.selleckchem.com/products/dovitinib-tki258-lactate.html

$$$$
BLZ945.cdx
csChFnd80/06162113462D

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BLZ945

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CSF-1R

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>  <CAS> (226)
953769-46-5

>  <URL> (226)
http://www.selleckchem.com/products/blz945.html

$$$$
CH5183284 (Debio 1347).cdx
csChFnd80/06162113462D

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2993

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C20H16N6O

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CH5183284 (Debio-1347)

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FF284

>  <Target> (227)
FGFR

>  <Form> (227)
Free Base

>  <CAS> (227)
1265229-25-1

>  <URL> (227)
http://www.selleckchem.com/products/ch5183284-debio-1347.html

$$$$
LM-3572.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (228)
3006

>  <Formula> (228)
C22H27FN4O2

>  <MolWeight> (228)
398.4737832

>  <Cat> (228)
S7781

>  <Name> (228)
Sunitinib

>  <Synonyms> (228)
SU11248

>  <Target> (228)
PDGFR

>  <Form> (228)
Free Base

>  <CAS> (228)
557795-19-4

>  <URL> (228)
http://www.selleckchem.com/products/sunitinib.html

$$$$
Erlotinib free Base.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (229)
3008

>  <Formula> (229)
C22H23N3O4

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393.43572

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S7786

>  <Name> (229)
Erlotinib

>  <Synonyms> (229)
CP358774, NSC 718781

>  <Target> (229)
EGFR

>  <Form> (229)
Free Base

>  <CAS> (229)
183321-74-6

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

$$$$
CL-387785.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (230)
3010

>  <Formula> (230)
C18H13BrN4O

>  <MolWeight> (230)
381.22602

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S7557

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CL-387785 (EKI-785)

>  <Synonyms> (230)
N/A

>  <Target> (230)
EGFR

>  <Form> (230)
Free Base

>  <CAS> (230)
194423-06-8

>  <URL> (230)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
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csChFnd80/06162113462D

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883986-34-3

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>  <Mol_ID> (235)
3081

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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> (235)
http://www.selleckchem.com/products/fiin-2.html

$$$$
AZD3759.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (236)
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AZD3759

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N/A

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EGFR

>  <Form> (236)
Free Base

>  <CAS> (236)
1626387-80-1

>  <URL> (236)
http://www.selleckchem.com/products/azd3759.html

$$$$
Resiquimod.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (237)
3100

>  <Formula> (237)
C17H22N4O2

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R-848

>  <Target> (237)
TLR

>  <Form> (237)
Free Base

>  <CAS> (237)
144875-48-9

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

$$$$
AMG337.cdx
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 33 29  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (238)
3204

>  <Formula> (238)
C23H22FN7O3

>  <MolWeight> (238)
463.4642832

>  <Cat> (238)
S8167

>  <Name> (238)
AMG 337

>  <Synonyms> (238)
N/A

>  <Target> (238)
c-Met

>  <Form> (238)
Free Base

>  <CAS> (238)
1173699-31-4

>  <URL> (238)
http://www.selleckchem.com/products/amg-337.html

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/06162113462D

 35 39  0  0  0  0  0  0  0  0999 V2000
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  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
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (239)
3219

>  <Formula> (239)
C26H26N6O2S

>  <MolWeight> (239)
486.58864

>  <Cat> (239)
S8294

>  <Name> (239)
Olmutinib (HM61713, BI 1482694)

>  <Synonyms> (239)
BI 1482694, HM61713, HM71224

>  <Target> (239)
EGFR

>  <Form> (239)
Free Base

>  <CAS> (239)
1353550-13-6

>  <URL> (239)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
S4690 Vitamin E.cdx
csChFnd80/06162113462D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.6403    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    3.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4303    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4230    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0658    2.1073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4303    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4230    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2782    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036    1.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4916    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
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  2  6  2  0  0  0  0
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  5 10  1  0  0  0  0
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 23 25  1  6  0  0  0
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M  END
>  <Mol_ID> (240)
3232

>  <Formula> (240)
C29H50O2

>  <MolWeight> (240)
430.7061

>  <Cat> (240)
S4686

>  <Name> (240)
Vitamin E

>  <Synonyms> (240)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (240)
COX,VEGFR

>  <Form> (240)
Free Base

>  <CAS> (240)
21590

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

$$$$
SIS3.cdx
csChFnd80/06162113462D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (241)
3259

>  <Formula> (241)
C28H28ClN3O3

>  <MolWeight> (241)
489.99322

>  <Cat> (241)
S7959

>  <Name> (241)
SIS3 HCl

>  <Synonyms> (241)
N/A

>  <Target> (241)
TGF-beta/Smad

>  <Form> (241)
hydrochloride

>  <CAS> (241)
521984-48-5

>  <URL> (241)
http://www.selleckchem.com/products/sis3.html

$$$$
EAI045.cdx
csChFnd80/06162113462D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (242)
3266

>  <Formula> (242)
C19H14FN3O3S

>  <MolWeight> (242)
383.3961632

>  <Cat> (242)
S8242

>  <Name> (242)
EAI045

>  <Synonyms> (242)
N/A

>  <Target> (242)
EGFR

>  <Form> (242)
Free Base

>  <CAS> (242)
1942114-09-1

>  <URL> (242)
http://www.selleckchem.com/products/eai045.html

$$$$
ATI-2341.cdx
csChFnd80/06162113462D

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106566-58-9

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VEGFR

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Free Base

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890128-81-1

>  <URL> (250)
http://www.selleckchem.com/products/bfh772.html

$$$$
NT157.cdx
csChFnd80/06162113462D

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IGF-1R

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Free Base

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1384426-12-3

>  <URL> (251)
http://www.selleckchem.com/products/nt157.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/06162113462D

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>  <URL> (252)
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$$$$
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c-Met

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1206799-15-6

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FGFR

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1346242-81-6

>  <URL> (254)
http://www.selleckchem.com/products/jnj-42756493-erdafitinib.html

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102586-30-1

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c-Met  & FGFR

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Free Base

>  <CAS> (256)
1265965-22-7

>  <URL> (256)
http://www.selleckchem.com/products/s49076.html

$$$$
GSK583.cdx
csChFnd80/06162113462D

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NF-¦ÊB

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Free Base

>  <CAS> (257)
1346547-00-9

>  <URL> (257)
http://www.selleckchem.com/products/gsk583.html

$$$$

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3379

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C25H27N7O3S2

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S1099

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SKLB4771 /FLT3-IN-1

>  <Synonyms> (258)
N/A

>  <Target> (258)
FLT3

>  <Form> (258)
Free Base

>  <CAS> (258)
1370256-78-2

>  <URL> (258)
http://www.selleck.cn/products/sklb4771-flt3-in1.html

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/06162113462D

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ASP8273 (Naquotinib)

>  <Synonyms> (259)
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>  <Target> (259)
EGFR

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Free Base

>  <CAS> (259)
1448232-80-1

>  <URL> (259)
http://www.selleckchem.com/products/naquotinib-asp8273.html

$$$$

csChFnd80/06162113462D

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3394

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C21H18F3N5O

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>  <Name> (260)
Aurora Kinase Inhibitor III

>  <Synonyms> (260)
N/A

>  <Target> (260)
Aurora Kinase

>  <Form> (260)
Free Base

>  <CAS> (260)
879127-16-9

>  <URL> (260)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$
SUN11602.cdx
csChFnd80/06162113462D

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SUN11602

>  <Synonyms> (261)
N/A

>  <Target> (261)
FGFR

>  <Form> (261)
Free Base

>  <CAS> (261)
704869-38-5

>  <URL> (261)
http://www.selleckchem.com/products/sun11602.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/06162113462D

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3400

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C26H31ClN6O2

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S7824

>  <Name> (262)
Nazartinib (EGF816, NVS-816)

>  <Synonyms> (262)
N/A

>  <Target> (262)
EGFR

>  <Form> (262)
Free Base

>  <CAS> (262)
1508250-71-2

>  <URL> (262)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
PD-166866.cdx
csChFnd80/06162113462D

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C20H24N6O3

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>  <Name> (263)
PD-166866

>  <Synonyms> (263)
N/A

>  <Target> (263)
FGFR

>  <Form> (263)
Free Base

>  <CAS> (263)
192705-79-6

>  <URL> (263)
http://www.selleckchem.com/products/pd-166866.html

$$$$
BLU-554.cdx
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FGFR

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1707289-21-1

>  <URL> (264)
http://www.selleckchem.com/products/blu-554.html

$$$$
RXDX-106 (CEP-40783).cdx
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RXDX-106 (CEP-40783)

>  <Synonyms> (265)
N/A

>  <Target> (265)
Axl,c-Met,Tyro3,MER,Tyro3,VEGFR2

>  <Form> (265)
free base

>  <CAS> (265)
1437321-24-8

>  <URL> (265)
http://www.selleckchem.com/products/rxdx-106-cep-40783.html

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/06162113462D

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>  <Formula> (266)
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>  <Cat> (266)
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>  <Name> (266)
Sitravatinib (MGCD516)

>  <Synonyms> (266)
MG-516

>  <Target> (266)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (266)
free base

>  <CAS> (266)
1123837-84-2

>  <URL> (266)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

$$$$
GSK2982772.cdx
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human RIP1

>  <Form> (267)
free base

>  <CAS> (267)
1622848-92-3

>  <URL> (267)
http://www.selleckchem.com/products/gsk2982772.html

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TAK-659.cdx
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N/A

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Syk,FLT3,ZAP-70,JAK3,VEGFR2

>  <Form> (268)
hydrochloride 

>  <CAS> (268)
1952251-28-3

>  <URL> (268)
http://www.selleckchem.com/products/tak-659.html

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PRN1371.cdx
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>  <Name> (269)
PRN1371

>  <Synonyms> (269)
N/A

>  <Target> (269)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (269)
free base

>  <CAS> (269)
1802929-43-6

>  <URL> (269)
http://www.selleckchem.com/products/prn1371.html

$$$$
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>  <Formula> (270)
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Gilteritinib (ASP2215)

>  <Synonyms> (270)
N/A

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FLT3,Axl 

>  <Form> (270)
free base

>  <CAS> (270)
1254053-43-4

>  <URL> (270)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

$$$$
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  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
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 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> (271)
3494

>  <Formula> (271)
C14H21NO3S

>  <MolWeight> (271)
283.38644

>  <Cat> (271)
S8640

>  <Name> (271)
Reparixin (Repertaxin)

>  <Synonyms> (271)
N/A

>  <Target> (271)
CXCR1,CXCR2,CXCL8

>  <Form> (271)
free base

>  <CAS> (271)
266359-83-5

>  <URL> (271)
http://www.selleckchem.com/products/reparixin-repertaxin.html

$$$$
H3B-6527.cdx
csChFnd80/06162113462D

 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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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  2  7  1  0  0  0  0
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  5  9  1  0  0  0  0
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  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 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
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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
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 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
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M  END
>  <Mol_ID> (272)
3531

>  <Formula> (272)
C29H34Cl2N8O4

>  <MolWeight> (272)
629.53746

>  <Cat> (272)
S8675

>  <Name> (272)
H3B-6527

>  <Synonyms> (272)
N/A

>  <Target> (272)
FGFR4

>  <Form> (272)
free base

>  <CAS> (272)
1702259-66-2

>  <URL> (272)
http://www.selleckchem.com/products/h3b-6527.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/06162113462D

 20 17  0  0  0  0  0  0  0  0999 V2000
    4.7611    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3521    3.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2131    5.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5731    2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282    5.0829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5143    2.5760    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0767    5.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5423    5.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921    1.2735    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    5.5489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7231    1.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4104    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2700    0.6897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3514    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    4.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    7.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5820    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6829    0.6064    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5646    6.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 14 16  1  0  0  0  0
  5 20  1  6  0  0  0
M  END
>  <Mol_ID> (273)
3576

>  <Formula> (273)
C6H6Na3O9P

>  <MolWeight> (273)
322.049511

>  <Cat> (273)
S5115

>  <Name> (273)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (273)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (273)
Others

>  <Form> (273)
sodium salt

>  <CAS> (273)
66170-10-3

>  <URL> (273)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
2-D08.cdx
csChFnd80/06162113462D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (274)
3605

>  <Formula> (274)
C15H10O5

>  <MolWeight> (274)
270.2369

>  <Cat> (274)
S8696

>  <Name> (274)
2-D08
2-D08

>  <Synonyms> (274)
2',3',4'-trihydroxy flavone

>  <Target> (274)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (274)
free base

>  <CAS> (274)
144707-18-6

>  <URL> (274)
http://selleckchem.com/products/2-d08.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/06162113462D

 34 35  0  0  0  0  0  0  0  0999 V2000
   16.9741    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    6.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.5330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.2330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.2330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6114    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0132    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  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
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  1  7  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
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 10 11  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 24 28  1  0  0  0  0
 25 32  1  0  0  0  0
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 14 18  1  0  0  0  0
  3 10  1  0  0  0  0
  9 33  1  0  0  0  0
M  END
>  <Mol_ID> (275)
3648

>  <Formula> (275)
C21H17ClF4N4O4

>  <MolWeight> (275)
500.8306928

>  <Cat> (275)
S5077

>  <Name> (275)
Regorafenib Monohydrate

>  <Synonyms> (275)
N/A

>  <Target> (275)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (275)
monohydrate

>  <CAS> (275)
1019206-88-2

>  <URL> (275)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
SNS-314.cdx
csChFnd80/06162113462D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.1148    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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SNS-314 Mesylate

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N/A

>  <Target> (276)
Aurora Kinase

>  <CAS> (276)
1057249-41-8

>  <URL> (276)
http://selleckchem.com/products/sns-314.html

$$$$
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csChFnd80/06162113462D

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>  <Formula> (277)
C17H11N3O6S

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>  <Name> (277)
ML221

>  <Synonyms> (277)
N/A

>  <Target> (277)
Others

>  <CAS> (277)
877636-42-5

>  <URL> (277)
http://selleckchem.com/products/ml221.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/06162113462D

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>  <Mol_ID> (278)
3768

>  <Formula> (278)
C22H25Cl2FN4O3

>  <MolWeight> (278)
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>  <Cat> (278)
S5098

>  <Name> (278)
Gefitinib hydrochloride

>  <Synonyms> (278)
ZD1839 hydrochloride

>  <Target> (278)
EGFR

>  <Form> (278)
hydrochloride 

>  <CAS> (278)
184475-55-6

>  <URL> (278)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/06162113462D

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3821

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C23H24Cl2FN3O3

>  <MolWeight> (279)
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>  <Cat> (279)
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>  <Name> (279)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (279)
N/A

>  <Target> (279)
VEGFR

>  <Form> (279)
dihydrochloride 

>  <CAS> (279)
1360460-82-7

>  <URL> (279)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
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   13.3076    1.6834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5200    3.7834    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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 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
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 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (280)
3822

>  <Formula> (280)
C26H21F2N5O3

>  <MolWeight> (280)
489.4734464

>  <Cat> (280)
S8721

>  <Name> (280)
DCC-2618

>  <Synonyms> (280)
N/A

>  <Target> (280)
c-Kit

>  <CAS> (280)
 1225278-16-9

>  <URL> (280)
http://selleckchem.com/products/dcc-2618.html

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/06162113462D

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M  END
>  <Mol_ID> (281)
3858

>  <Formula> (281)
C33H39N5O7S

>  <MolWeight> (281)
649.75706

>  <Cat> (281)
S5234

>  <Name> (281)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (281)
Intedanib, BIBF 1120

>  <Target> (281)
VEGFR,FGFR,PDGFR

>  <Form> (281)
ethanesulfonate 

>  <CAS> (281)
656247-18-6

>  <URL> (281)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/06162113462D

 41 44  0  0  0  0  0  0  0  0999 V2000
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    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
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   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
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M  END
>  <Mol_ID> (282)
3860

>  <Formula> (282)
C29H31FN4O7

>  <MolWeight> (282)
566.5774432

>  <Cat> (282)
S5242

>  <Name> (282)
Cediranib Maleate

>  <Synonyms> (282)
AZD-2171 maleate

>  <Target> (282)
VEGFR

>  <Form> (282)
maleate

>  <CAS> (282)
 857036-77-2

>  <URL> (282)
http://selleckchem.com/products/cediranib-maleate.html

$$$$
S5459 Aucubin.cdx
csChFnd80/06162113462D

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    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
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    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
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 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
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 20 23  1  6  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (283)
3922

>  <Formula> (283)
C15H22O9

>  <MolWeight> (283)
346.32978

>  <Cat> (283)
S5459

>  <Name> (283)
Aucubin

>  <Synonyms> (283)
Rhinanthin

>  <Target> (283)
Immunology & Inflammation related

>  <Form> (283)
free base

>  <CAS> (283)
479-98-1

>  <URL> (283)
http://selleckchem.com/products/aucubin.html

$$$$
S5579 Chelidonic acid.cdx
csChFnd80/06162113462D

 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
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  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> (284)
3984

>  <Formula> (284)
C7H4O6

>  <MolWeight> (284)
184.10306

>  <Cat> (284)
S5579

>  <Name> (284)
Chelidonic acid

>  <Synonyms> (284)
Jerva acid, Jervaic acid, ¦Ã-Pyrone-2,6-dicarboxylic acid

>  <Target> (284)
Immunology & Inflammation related

>  <Form> (284)
free base

>  <CAS> (284)
99-32-1

>  <URL> (284)
http://selleckchem.com/products/chelidonic-acid.html

$$$$
S5584 Citronellol.cdx
csChFnd80/06162113462D

 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
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    3.6373    1.4000    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
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    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (285)
3988

>  <Formula> (285)
C10H20O

>  <MolWeight> (285)
156.2652

>  <Cat> (285)
S5584

>  <Name> (285)
Citronellol

>  <Synonyms> (285)
dihydrogeraniol, (¡À)-¦Â-Citronellol

>  <Target> (285)
Others

>  <Form> (285)
free base

>  <CAS> (285)
106-22-9

>  <URL> (285)
http://selleckchem.com/products/citronellol.html

$$$$
S5588 Creatine.cdx
csChFnd80/06162113462D

  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
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (286)
3992

>  <Formula> (286)
C4H9N3O2

>  <MolWeight> (286)
131.13316

>  <Cat> (286)
S5588

>  <Name> (286)
Creatine

>  <Synonyms> (286)
Methylguanidoacetic acid

>  <Target> (286)
Others

>  <Form> (286)
free base

>  <CAS> (286)
57-00-1

>  <URL> (286)
http://selleckchem.com/products/creatine.html

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/06162113462D

 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
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    6.0622    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
    0.0000    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2798    2.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6798    2.6677    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6798    4.0677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6798    1.2677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 22 23  1  0  0  0  0
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 17 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
  3 28  1  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
 16 35  1  0  0  0  0
M  END
>  <Mol_ID> (287)
4024

>  <Formula> (287)
C22H23ClN4O7S

>  <MolWeight> (287)
522.95862

>  <Cat> (287)
S5240

>  <Name> (287)
lenvatinib Mesylate

>  <Synonyms> (287)
N/A

>  <Target> (287)
VEGFR

>  <Form> (287)
Mesylate

>  <CAS> (287)
 857890-39-2

>  <URL> (287)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/06162113462D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.6282    8.7151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9877    8.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0677    6.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    6.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8905    7.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2801    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2801    4.8472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4926    6.9472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7050    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9174    6.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1299    6.2472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4089    6.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3456    5.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6457    4.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2763    4.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4943    7.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5578   10.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174    9.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5259   10.2883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9952    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.9952    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4 16  1  0  0  0  0
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 19 20  1  0  0  0  0
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 18 21  2  0  0  0  0
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 30 31  2  0  0  0  0
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M  END
>  <Mol_ID> (288)
4029

>  <Formula> (288)
C22H28FN4O6P

>  <MolWeight> (288)
494.4530842

>  <Cat> (288)
S5272

>  <Name> (288)
Toceranib phosphate

>  <Synonyms> (288)
SU11654

>  <Target> (288)
PDGFR¦Â

>  <Form> (288)
phosphate 

>  <CAS> (288)
874819-74-6

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

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/06162113462D

 41 45  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (289)
4075

>  <Formula> (289)
C30H34N8O3

>  <MolWeight> (289)
554.64276

>  <Cat> (289)
S8724

>  <Name> (289)
Lazertinib (YH25448,GNS-1480)

>  <Form> (289)
free base

>  <CAS> (289)
1903008-80-9

$$$$
Apremilast (CC-10004).cdx
csChFnd80/06162113462D

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.2040    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (290)
4098

>  <Formula> (290)
C22H24N2O7S

>  <MolWeight> (290)
460.50016

>  <Cat> (290)
S8034

>  <Name> (290)
Apremilast (CC-10004)
Apremilast (CC-10004)

>  <Synonyms> (290)
N/A

>  <Target> (290)
PDE

>  <Form> (290)
Free Base

>  <CAS> (290)
608141-41-9

>  <URL> (290)
http://www.selleckchem.com/products/apremilast-cc-10004.html

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/06162113462D

 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
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  5 10  2  0  0  0  0
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  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (291)
4121

>  <Formula> (291)
C8H8O3

>  <MolWeight> (291)
152.14732

>  <Cat> (291)
S9374

>  <Name> (291)
2',5'-Dihydroxyacetophenone

>  <CAS> (291)
490-78-8

$$$$
S9414 Cyasterone.cdx
csChFnd80/06162113462D

 40 44  0  0  0  0  0  0  0  0999 V2000
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    7.3112    5.5776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.4670    4.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (292)
4146

>  <Formula> (292)
C29H44O8

>  <MolWeight> (292)
520.65486

>  <Cat> (292)
S9414

>  <Name> (292)
Cyasterone

>  <Form> (292)
free base

>  <CAS> (292)
17086-76-9

$$$$
S9417 Homoplantaginin.cdx
csChFnd80/06162113462D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (293)
4148

>  <Formula> (293)
C22H22O11

>  <MolWeight> (293)
462.40348

>  <Cat> (293)
S9417

>  <Name> (293)
Homoplantaginin

>  <Form> (293)
free base

>  <CAS> (293)
17680-84-1

$$$$

csChFnd80/06162113462D

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M  END
>  <Mol_ID> (294)
4191

>  <Formula> (294)
C16H14O2

>  <MolWeight> (294)
238.28116

>  <Cat> (294)
S5851

>  <Name> (294)
4'-Methoxychalcone

>  <Synonyms> (294)
N/A

>  <Target> (294)
Others

>  <Form> (294)
Free Base

>  <CAS> (294)
959-23-9

>  <URL> (294)
http://www.selleckchem.com/products/4-methoxychalcone.html

$$$$

csChFnd80/06162113462D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (295)
4247

>  <Formula> (295)
C29H29FN4O

>  <MolWeight> (295)
468.5651632

>  <Cat> (295)
S8609

>  <Name> (295)
Derazantinib(ARQ-087)

>  <Synonyms> (295)
N/A

>  <Target> (295)
FGFR

>  <Form> (295)
Free Base

>  <CAS> (295)
1234356-69-4

>  <URL> (295)
http://www.selleckchem.com/products/derazantinib.html

$$$$

csChFnd80/06162113462D

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M  END
>  <Mol_ID> (296)
4260

>  <Formula> (296)
C26H26FN7O2

>  <MolWeight> (296)
487.5287432

>  <Cat> (296)
S8741

>  <Name> (296)
Avitinib (AC0010)

>  <Synonyms> (296)
N/A

>  <Target> (296)
EGFR

>  <Form> (296)
Free Base

>  <CAS> (296)
1557267-42-1

>  <URL> (296)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/06162113462D

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M  END
>  <Mol_ID> (297)
4266

>  <Formula> (297)
C19H15N3O6S

>  <MolWeight> (297)
413.4039

>  <Cat> (297)
S8754

>  <Name> (297)
Alofanib(RPT835)

>  <Synonyms> (297)
N/A

>  <Target> (297)
FGFR

>  <Form> (297)
Free Base

>  <CAS> (297)
1612888-66-0

>  <URL> (297)
http://www.selleckchem.com/products/alofanib-rpt835.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/06162113462D

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 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
M  END
>  <Mol_ID> (298)
4286

>  <Formula> (298)
C38H46O8

>  <MolWeight> (298)
630.76704

>  <Cat> (298)
S9031

>  <Name> (298)
Gambogenic acid

>  <Form> (298)
free base

>  <CAS> (298)
173932-75-7

$$$$
S9052 Auraptene.cdx
csChFnd80/06162113462D

 22 23  0  0  0  0  0  0  0  0999 V2000
   13.3382    2.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3382    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1251    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (299)
4296

>  <Formula> (299)
C19H22O3

>  <MolWeight> (299)
298.37618

>  <Cat> (299)
S9052

>  <Name> (299)
Auraptene

>  <Form> (299)
free base

>  <CAS> (299)
495-02-3

$$$$
S9054 Pectolinarin.cdx
csChFnd80/06162113462D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (300)
4298

>  <Formula> (300)
C29H34O15

>  <MolWeight> (300)
622.57126

>  <Cat> (300)
S9054

>  <Name> (300)
Pectolinarin

>  <Form> (300)
free base

>  <CAS> (300)
28978-02-1

$$$$
S9075 Mulberroside A.cdx
csChFnd80/06162113462D

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102841-42-9

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$$$$
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63223-86-9

$$$$
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M  END
>  <Mol_ID> (304)
4371

>  <Formula> (304)
C16H18O9

>  <MolWeight> (304)
354.30872

>  <Cat> (304)
S9136

>  <Name> (304)
Neochlorogenic acid

>  <Form> (304)
free base

>  <CAS> (304)
906-33-2

$$$$
S9184 Forsythoside B.cdx
csChFnd80/06162113462D

 53 57  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (305)
4408

>  <Formula> (305)
C34H44O19

>  <MolWeight> (305)
756.70176

>  <Cat> (305)
S9184

>  <Name> (305)
Forsythoside B

>  <Form> (305)
free base

>  <CAS> (305)
81525-13-5

$$$$
S9194 Toddalolactone.cdx
csChFnd80/06162113462D

 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
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M  END
>  <Mol_ID> (306)
4415

>  <Formula> (306)
C16H20O6

>  <MolWeight> (306)
308.3264

>  <Cat> (306)
S9194

>  <Name> (306)
Toddalolactone

>  <Form> (306)
Toddalolactone

>  <CAS> (306)
483-90-9

$$$$
S9236 ¦Á-Cyperone.cdx
csChFnd80/06162113462D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (307)
4444

>  <Formula> (307)
C15H22O

>  <MolWeight> (307)
218.33458

>  <Cat> (307)
S9236

>  <Name> (307)
¦Á-Cyperone

>  <Form> (307)
free base

>  <CAS> (307)
473-08-5

$$$$
S9275 Isoguanosine.cdx
csChFnd80/06162113462D

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M  END
>  <Mol_ID> (308)
4472

>  <Formula> (308)
C10H13N5O5

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1818-71-9

$$$$
S9288 Casticin.cdx
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4485

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S9288

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Casticin

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free base

>  <CAS> (309)
479-91-4

$$$$
S9012 Khasianine.cdx
csChFnd80/06162113462D

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4608

>  <Formula> (310)
C39H63NO11

>  <MolWeight> (310)
721.91762

>  <Cat> (310)
S9012

>  <Name> (310)
Khasianine

>  <Form> (310)
free base

>  <CAS> (310)
32449-98-2

$$$$
S5667 Fruquintinib.cdx
csChFnd80/06162113462D

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4686

>  <Formula> (311)
C21H19N3O5

>  <MolWeight> (311)
393.39266

>  <Cat> (311)
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>  <Name> (311)
Fruquintinib

>  <Target> (311)
VEGFRs

>  <CAS> (311)
1194506-26-7

>  <URL> (311)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/06162113462D

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  7  1  0  0  0  0
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 17 13  1  0  0  0  0
  9 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 22  9  1  0  0  0  0
 21 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 30 36  1  0  0  0  0
 11 37  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (312)
4722

>  <Formula> (312)
C29H37N7O5S

>  <MolWeight> (312)
595.71298

>  <Cat> (312)
S5078

>  <Name> (312)
Osimertinib mesylate

>  <Synonyms> (312)
AZD9291 mesylate

>  <Target> (312)
EGFR

>  <Form> (312)
mesylate

>  <CAS> (312)
1421373-66-1

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

$$$$

csChFnd80/06162113462D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
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 10 14  1  0  0  0  0
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M  END
>  <Mol_ID> (313)
4743

>  <Formula> (313)
C16H21Cl2N3

>  <MolWeight> (313)
326.26404

>  <Cat> (313)
S5670

>  <Name> (313)
Chloropyramine hydrochloride

>  <Synonyms> (313)
Halopyramine hydrochloride

>  <Target> (313)
Histamine Receptor

>  <Form> (313)
hydrochloride

>  <CAS> (313)
6170-42-9

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

$$$$

csChFnd80/06162113462D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (314)
4800

>  <Formula> (314)
C22H21N3O2

>  <MolWeight> (314)
359.42104

>  <Cat> (314)
S5764

>  <Name> (314)
YM 90709

>  <Synonyms> (314)
N/A

>  <Target> (314)
IL Receptor

>  <Form> (314)
Free Base

>  <CAS> (314)
163769-88-8

>  <URL> (314)
http://www.selleckchem.com/products/ym-90709.html

$$$$

csChFnd80/06162113462D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 15  1  2  0  0  0  0
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 19  2  1  0  0  0  0
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 14  4  1  0  0  0  0
 10  5  1  0  0  0  0
 13  5  1  0  0  0  0
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 12  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 14  8  1  0  0  0  0
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 18 10  1  0  0  0  0
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M  END
>  <Mol_ID> (315)
4821

>  <Formula> (315)
C22H23N5O

>  <MolWeight> (315)
373.45092

>  <Cat> (315)
S5793

>  <Name> (315)
Motesanib (AMG-706)

>  <Synonyms> (315)
N/A

>  <Target> (315)
VEGFR

>  <Form> (315)
Free Base

>  <CAS> (315)
453562-69-1

>  <URL> (315)
http://www.selleckchem.com/products/motesanib-amg-706.html

$$$$

csChFnd80/06162113462D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
 24 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 24  1  0  0  0  0
M  END
>  <Mol_ID> (316)
4855

>  <Formula> (316)
C24H29N5O3

>  <MolWeight> (316)
435.51876

>  <Cat> (316)
S8772

>  <Name> (316)
LY 3200882 

>  <Synonyms> (316)
N/A

>  <Target> (316)
TGF-beta/Smad

>  <Form> (316)
Free Base

>  <CAS> (316)
1898283-02-7

>  <URL> (316)
http://www.selleckchem.com/products/ly3200882.html

$$$$

csChFnd80/06162113462D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 19 14  1  0  0  0  0
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 12 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (317)
4864

>  <Formula> (317)
C17H13ClN2O3

>  <MolWeight> (317)
328.74972

>  <Cat> (317)
S8813

>  <Name> (317)
LIT-927

>  <Synonyms> (317)
N/A

>  <Target> (317)
CXCR

>  <Form> (317)
Free Base

>  <CAS> (317)
2172879-52-4

>  <URL> (317)
http://www.selleckchem.com/products/lit-927.html

$$$$

csChFnd80/06162113462D

 39 43  0  0  0  0  0  0  0  0999 V2000
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    3.6466    2.7037    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0805    2.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8839    3.4034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6742    1.3068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9 19  1  0  0  0  0
 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14 17  1  0  0  0  0
  7 15  1  1  0  0  0
 16  6  1  0  0  0  0
 17 13  1  0  0  0  0
 18  3  1  0  0  0  0
 19 10  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  2  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 25  5  1  0  0  0  0
  5 26  1  1  0  0  0
  2 27  1  1  0  0  0
  4 28  1  1  0  0  0
 12 29  1  1  0  0  0
 14 30  1  1  0  0  0
  3 31  1  6  0  0  0
 32 15  1  0  0  0  0
 17 33  1  6  0  0  0
 34 25  1  0  0  0  0
 16 35  1  1  0  0  0
 23 36  1  6  0  0  0
  2  9  1  0  0  0  0
 20 18  1  0  0  0  0
 24 21  1  0  0  0  0
 12  8  1  0  0  0  0
 14  5  1  0  0  0  0
  6 37  1  1  0  0  0
  2  3  1  0  0  0  0
  9 38  1  6  0  0  0
  3  1  1  0  0  0  0
  8 39  1  6  0  0  0
M  END
>  <Mol_ID> (318)
4905

>  <Formula> (318)
C30H48O6

>  <MolWeight> (318)
504.69852

>  <Cat> (318)
S9502

>  <Name> (318)
Madecassic acid

>  <Synonyms> (318)
Brahmic acid

>  <Target> (318)
Immunology & Inflamm

>  <Form> (318)
Free Base

>  <CAS> (318)
2438-80-4

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

$$$$

csChFnd80/06162113462D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  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> (319)
4916

>  <Formula> (319)
C15H22O2

>  <MolWeight> (319)
234.33398

>  <Cat> (319)
S9554

>  <Name> (319)
Bakkenolide A

>  <Synonyms> (319)
Fukinanolid

>  <Target> (319)
Others

>  <Form> (319)
Free Base

>  <CAS> (319)
19906-72-0

>  <URL> (319)
http://www.selleckchem.com/products/bakkenolide-a.html

$$$$

csChFnd80/06162113462D

 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
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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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    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
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  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
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M  END
>  <Mol_ID> (320)
4926

>  <Formula> (320)
C10H8O5

>  <MolWeight> (320)
208.16752

>  <Cat> (320)
S9503

>  <Name> (320)
Fraxetin

>  <Synonyms> (320)
7,8-dihydroxy-6-methoxy coumarin

>  <Target> (320)
Others

>  <Form> (320)
free base

>  <CAS> (320)
574-84-5

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

$$$$

csChFnd80/06162113462D

  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
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  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> (321)
5133

>  <Formula> (321)
CNNaS

>  <MolWeight> (321)
81.07217

>  <Cat> (321)
S6281

>  <Name> (321)
Sodium Thiocyanate

>  <Synonyms> (321)
Sodium rhodanide, Sodium sulfocyanate, Sodium rhodanate

>  <Target> (321)
Others

>  <Form> (321)
free base

>  <CAS> (321)
540-72-7

>  <URL> (321)
http://www.selleck.cn/products/sodium-thiocyanate.html

$$$$

csChFnd80/06162113462D

 38 43  0  0  0  0  0  0  0  0999 V2000
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5187

>  <Formula> (322)
C25H23FN8O2S2

>  <MolWeight> (322)
550.6309232

>  <Cat> (322)
S7564

>  <Name> (322)
SAR125844

>  <Synonyms> (322)
N/A

>  <Target> (322)
c-Met

>  <Form> (322)
free base

>  <CAS> (322)
1116743-46-4

>  <URL> (322)
http://www.selleck.cn/products/sar125844.html

$$$$

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>  <Mol_ID> (323)
5248

>  <Formula> (323)
C26H31Cl2N7O3

>  <MolWeight> (323)
560.47544

>  <Cat> (323)
S2183

>  <Name> (323)
BGJ398 (NVP-BGJ398|Infigratinib)

>  <Synonyms> (323)
N/A

>  <Target> (323)
FGFR

>  <Form> (323)
Free Base

>  <CAS> (323)
872511-34-7

>  <URL> (323)
http://www.selleck.cn/products/bgj398-nvp-bgj398.html

$$$$

csChFnd80/06162113462D

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 13  7  2  0  0  0  0
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M  END
>  <Mol_ID> (324)
5250

>  <Formula> (324)
C30H35N7O2

>  <MolWeight> (324)
525.6446

>  <Cat> (324)
S8817

>  <Name> (324)
HS-10296

>  <Synonyms> (324)
N/A

>  <Target> (324)
EGFR

>  <Form> (324)
Free Base

>  <CAS> (324)
1899921-05-1

>  <URL> (324)
http://www.selleck.cn/products/hs-10296.html

$$$$

csChFnd80/06162113462D

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>  <Mol_ID> (325)
5287

>  <Formula> (325)
C14H12O5

>  <MolWeight> (325)
260.24208

>  <Cat> (325)
S5887

>  <Name> (325)
Khellin

>  <Synonyms> (325)
Amicardine, Corafurone, Methafrone

>  <Target> (325)
Anti-infection

>  <Form> (325)
Free Base

>  <CAS> (325)
82-02-0

>  <URL> (325)
http://www.selleck.cn/products/khellin.html

$$$$

csChFnd80/06162113462D

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 12  4  1  0  0  0  0
  5  6  2  0  0  0  0
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 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
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 13  8  2  0  0  0  0
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 23 10  2  0  0  0  0
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M  END
>  <Mol_ID> (326)
5310

>  <Formula> (326)
C23H26N6O2

>  <MolWeight> (326)
418.49154

>  <Cat> (326)
S6414

>  <Name> (326)
Apilimod

>  <Synonyms> (326)
STA-5326

>  <Target> (326)
PI3K

>  <Form> (326)
Free Base

>  <CAS> (326)
541550-19-0

>  <URL> (326)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/06162113462D

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 29  7  1  0  0  0  0
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M  END
>  <Mol_ID> (327)
5373

>  <Formula> (327)
C29H39ClN7O2P

>  <MolWeight> (327)
584.092421

>  <Cat> (327)
S8229

>  <Name> (327)
Brigatinib (AP26113)

>  <Synonyms> (327)
N/A

>  <Target> (327)
ALK

>  <Form> (327)
Free Base

>  <CAS> (327)
1197953-54-0

>  <URL> (327)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/06162113462D

 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
   21.8275    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (328)
6644

>  <Formula> (328)
C26H21F3N4O4

>  <MolWeight> (328)
510.4645496

>  <Cat> (328)
S6412

>  <Name> (328)
Altiratinib

>  <Synonyms> (328)
DCC-2701

>  <Target> (328)
Trk receptor

>  <Form> (328)
free base

>  <CAS> (328)
1345847-93-9

>  <URL> (328)
http://www.selleck.cn/products/altiratinib.html

$$$$

csChFnd80/06162113462D

 37 40  0  0  0  0  0  0  0  0999 V2000
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1952236-05-3

>  <URL> (331)
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413599-62-9

>  <URL> (332)
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1642581-63-2

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108237-91-8

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ITD-1

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N/A

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TGF-beta/Smad

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1099644-42-4

>  <URL> (343)
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6810

>  <Formula> (344)
C21H23ClFNO2

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AX-024 HCl

>  <Synonyms> (344)
N/A

>  <Target> (344)
CDK

>  <Form> (344)
Hydrochloride

>  <CAS> (344)
1704801-24-0

>  <URL> (344)
http://www.selleck.cn/products/ax-024-hcl.html

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csChFnd80/06162113462D

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6841

>  <Formula> (345)
C23H20N6O

>  <MolWeight> (345)
396.4445

>  <Cat> (345)
S8814

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TAS6417

>  <Synonyms> (345)
N/A

>  <Target> (345)
EGFR

>  <Form> (345)
Free Base

>  <CAS> (345)
1661854-97-2

>  <URL> (345)
http://www.selleck.cn/products/tas6417.html

$$$$

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>  <Formula> (346)
C22H22N6O3

>  <MolWeight> (346)
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>  <Cat> (346)
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>  <Name> (346)
TAS-120

>  <Synonyms> (346)
N/A

>  <Target> (346)
FGFR

>  <Form> (346)
Free Base

>  <CAS> (346)
1448169-71-8

>  <URL> (346)
http://www.selleck.cn/products/tas-120.html

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http://www.selleck.cn/products/ng25.html

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1303420-67-8

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http://www.selleck.cn/products/plx5622.html

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334951-90-5

>  <URL> (349)
http://www.selleck.cn/products/bibf-0775.html

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Free Base

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15966-93-5

>  <URL> (350)
http://www.selleck.cn/products/su5408.html

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    9.7741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9811    0.7064    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
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
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 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (355)
6932

>  <Formula> (355)
C18H16N2O3

>  <MolWeight> (355)
308.33124

>  <Cat> (355)
S2307

>  <Name> (355)
Roquinimex

>  <Synonyms> (355)
FCF 89, Linomide, LS 2616

>  <Target> (355)
Immunology & Inflammation related

>  <Form> (355)
Free Base

>  <CAS> (355)
84088-42-6

>  <URL> (355)
http://www.selleck.cn/products/roquinimex.html

$$$$

csChFnd80/06162113462D

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  4 13  1  0  0  0  0
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  5  6  1  0  0  0  0
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M  END
>  <Mol_ID> (356)
6946

>  <Formula> (356)
C13H18N2O2

>  <MolWeight> (356)
234.29422

>  <Cat> (356)
S2465

>  <Name> (356)
CPI-1189

>  <Synonyms> (356)
REN 1654,REN 1189

>  <Target> (356)
TNF-alpha

>  <Form> (356)
Free Base

>  <CAS> (356)
183619-38-7

>  <URL> (356)
http://www.selleck.cn/products/cpi-1189.html

$$$$

csChFnd80/06162113462D

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 17 20  1  0  0  0  0
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M  END
>  <Mol_ID> (357)
6975

>  <Formula> (357)
C15H14FN3O2

>  <MolWeight> (357)
287.2889632

>  <Cat> (357)
S8962

>  <Name> (357)
BRD3308

>  <Synonyms> (357)
N/A

>  <Target> (357)
HDAC

>  <Form> (357)
Free Base

>  <CAS> (357)
1550053-02-5

>  <URL> (357)
http://www.selleckchem.com/products/brd3308.html

$$$$

csChFnd80/06162113462D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
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M  END
>  <Mol_ID> (358)
6984

>  <Formula> (358)
C14H22Cl2N2O2S

>  <MolWeight> (358)
353.30768

>  <Cat> (358)
S2650

>  <Name> (358)
RN-1734

>  <Synonyms> (358)
TRPV4 Antagonist I

>  <Target> (358)
TRP Channel

>  <Form> (358)
Free Base

>  <CAS> (358)
946387-07-1

>  <URL> (358)
http://www.selleckchem.com/products/rn-1734.html

$$$$

csChFnd80/06162113462D

 38 40  0  0  0  0  0  0  0  0999 V2000
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 30 31  1  0  0  0  0
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 35 37  2  0  0  0  0
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M  END
>  <Mol_ID> (359)
6992

>  <Formula> (359)
C28H27ClN3NaO5

>  <MolWeight> (359)
543.97385

>  <Cat> (359)
S6776

>  <Name> (359)
TM5275 Sodium

>  <Synonyms> (359)
TM 5275 sodium salt

>  <Target> (359)
PAI-1

>  <Form> (359)
Sodium

>  <CAS> (359)
1103926-82-4

>  <URL> (359)
http://www.selleckchem.com/products/tm5275-sodium.html

$$$$

csChFnd80/06162113462D

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>  <Synonyms> (360)
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>  <Target> (360)
PAI-1

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Free Base

>  <CAS> (360)
1190221-43-2

>  <URL> (360)
http://www.selleckchem.com/products/tm5441.html

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>  <Mol_ID> (361)
7013

>  <Formula> (361)
C15H10FNO

>  <MolWeight> (361)
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>  <Cat> (361)
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>  <Name> (361)
SU5205

>  <Synonyms> (361)
N/A

>  <Target> (361)
VEGFR

>  <Form> (361)
Free Base

>  <CAS> (361)
3476-86-6

>  <URL> (361)
http://www.selleckchem.com/products/su-5205.html

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csChFnd80/06162113462D

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>  <Mol_ID> (362)
7014

>  <Formula> (362)
C16H13NO2

>  <MolWeight> (362)
251.27992

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S6809

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SU5214

>  <Synonyms> (362)
N/A

>  <Target> (362)
EGFR

>  <Form> (362)
Free Base

>  <CAS> (362)
186611-04-1

>  <URL> (362)
http://www.selleckchem.com/products/su-5214.html

$$$$

csChFnd80/06162113462D

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>  <Mol_ID> (363)
7015

>  <Formula> (363)
C32H39N7O4

>  <MolWeight> (363)
585.69656

>  <Cat> (363)
S6813

>  <Name> (363)
Mobocertinib (TAK788)

>  <Synonyms> (363)
AP32788

>  <Target> (363)
EGFR

>  <Form> (363)
Free Base

>  <CAS> (363)
1847461-43-1

>  <URL> (363)
http://www.selleckchem.com/products/tak788.html

$$$$

csChFnd80/06162113462D

 14 16  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (364)
7023

>  <Formula> (364)
C12H8N2

>  <MolWeight> (364)
180.20532

>  <Cat> (364)
S6830

>  <Name> (364)
o-Phenanthroline

>  <Synonyms> (364)
1,10-Phenanthroline, phen

>  <Target> (364)
MMP

>  <Form> (364)
Free Base

>  <CAS> (364)
66-71-7

>  <URL> (364)
http://www.selleckchem.com/products/o-phenanthroline.html

$$$$

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   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> (365)
7031

>  <Formula> (365)
C21H16ClFN2O3S

>  <MolWeight> (365)
430.8797432

>  <Cat> (365)
S8954

>  <Name> (365)
STING agonist-1 (G10)

>  <Synonyms> (365)
N/A

>  <Target> (365)
STING

>  <Form> (365)
Free Base

>  <CAS> (365)
702662-50-8

>  <URL> (365)
http://www.selleckchem.com/products/sting-agonist-1-g10.html

$$$$

csChFnd80/06162113462D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    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
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   10.9120    7.0002    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    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
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  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> (366)
7039

>  <Formula> (366)
C18H18N2O5

>  <MolWeight> (366)
342.34592

>  <Cat> (366)
S0129

>  <Name> (366)
SB-297006

>  <Synonyms> (366)
N/A

>  <Target> (366)
CCR

>  <Form> (366)
Free Base

>  <CAS> (366)
58816-69-6

>  <URL> (366)
http://www.selleckchem.com/products/sb297006.html

$$$$

csChFnd80/06162113462D

 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
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    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
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  7 21  1  0  0  0  0
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  8 20  2  0  0  0  0
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  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> (367)
7053

>  <Formula> (367)
C21H18F3N5O

>  <MolWeight> (367)
413.3957296

>  <Cat> (367)
S0360

>  <Name> (367)
EGFR?Inhibitor

>  <Synonyms> (367)
N/A

>  <Target> (367)
EGFR

>  <Form> (367)
Free Base

>  <CAS> (367)
879127-07-8

>  <URL> (367)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/06162113462D

 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
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    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
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    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
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   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> (368)
7062

>  <Formula> (368)
C24H28N6O3S

>  <MolWeight> (368)
480.58252

>  <Cat> (368)
S0487

>  <Name> (368)
Sulfatinib

>  <Synonyms> (368)
HMPL-012, Sufatinib, Surfatinib

>  <Target> (368)
CSF-1R

>  <Form> (368)
Free Base

>  <CAS> (368)
1308672-74-3

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

$$$$

csChFnd80/06162113462D

 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
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    3.7563    1.2922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1792    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  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 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (369)
7064

>  <Formula> (369)
C14H10BrNOS

>  <MolWeight> (369)
320.2043

>  <Cat> (369)
S0523

>  <Name> (369)
SB?4

>  <Synonyms> (369)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (369)
TGF-beta/Smad

>  <Form> (369)
Free Base

>  <CAS> (369)
100874-08-6

>  <URL> (369)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/06162113462D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.2453    7.4353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2390    7.6463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
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C23H26FN5O3

>  <MolWeight> (370)
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Vorolanib

>  <Synonyms> (370)
CM082

>  <Target> (370)
VEGFR

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Free Base

>  <CAS> (370)
1013920-15-4

>  <URL> (370)
http://www.selleckchem.com/products/vorolanib.html

$$$$

csChFnd80/06162113462D

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C24H24N4O5S

>  <MolWeight> (371)
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>  <Cat> (371)
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>  <Name> (371)
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>  <Synonyms> (371)
KI-20227

>  <Target> (371)
CSF-1R

>  <Form> (371)
Free Base

>  <CAS> (371)
623142-96-1

>  <URL> (371)
http://www.selleckchem.com/products/ki20227.html

$$$$

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7118

>  <Formula> (372)
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>  <MolWeight> (372)
484.6375

>  <Cat> (372)
S0085

>  <Name> (372)
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>  <Target> (372)
CCR

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free base

>  <CAS> (372)
1286279-29-5

>  <URL> (372)
http://www.selleckchem.com/products/bms813160.html

$$$$

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>  <Target> (373)
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>  <CAS> (373)
1513857-77-6

>  <URL> (373)
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7120

>  <Formula> (374)
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S0094

>  <Name> (374)
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>  <Target> (374)
ROR

>  <Form> (374)
free base

>  <CAS> (374)
303126-97-8

>  <URL> (374)
http://www.selleckchem.com/products/sr0987.html

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csChFnd80/06162113462D

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7126

>  <Formula> (375)
C25H26ClN3O

>  <MolWeight> (375)
419.94644

>  <Cat> (375)
S0135

>  <Name> (375)
JMS-17-2

>  <Target> (375)
GPR

>  <Form> (375)
free base

>  <CAS> (375)
1380392-05-1

>  <URL> (375)
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7139

>  <Formula> (376)
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>  <MolWeight> (376)
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>  <Cat> (376)
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>  <Name> (376)
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>  <Target> (376)
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>  <Form> (376)
free base

>  <CAS> (376)
114727-43-4

>  <URL> (376)
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>  <Formula> (377)
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>  <MolWeight> (377)
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>  <Cat> (377)
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>  <Name> (377)
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>  <Target> (377)
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>  <CAS> (377)
1055412-47-9

>  <URL> (377)
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>  <URL> (378)
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 28 30  0  0  0  0  0  0  0  0999 V2000
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   20.9963    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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  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
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 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> (379)
7174

>  <Formula> (379)
C23H40N2O3

>  <MolWeight> (379)
392.5753

>  <Cat> (379)
S0752

>  <Name> (379)
AUDA

>  <Target> (379)
Epoxide Hydrolase

>  <Form> (379)
free base

>  <CAS> (379)
479413-70-2

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

$$$$

csChFnd80/06162113462D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (380)
7176

>  <Formula> (380)
C17H17N3O

>  <MolWeight> (380)
279.33638

>  <Cat> (380)
S0777

>  <Name> (380)
APX-115 free base

>  <Target> (380)
NADPH-oxidase

>  <Form> (380)
free base

>  <CAS> (380)
1270084-92-8

>  <URL> (380)
http://www.selleckchem.com/products/apx-115-free-base.html

$$$$

csChFnd80/06162113462D

 41 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (381)
7177

>  <Formula> (381)
C25H34N6O8S2

>  <MolWeight> (381)
610.70286

>  <Cat> (381)
S0785

>  <Name> (381)
Apilimod mesylate

>  <Target> (381)
Interleukins

>  <Form> (381)
mesylate

>  <CAS> (381)
870087-36-8

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

$$$$

csChFnd80/06162113462D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (382)
7178

>  <Formula> (382)
C11H15ClN4O4

>  <MolWeight> (382)
302.7142

>  <Cat> (382)
S0787

>  <Name> (382)
3-Deazaadenosine hydrochloride

>  <Target> (382)
TNF-alpha

>  <Form> (382)
hydrochloride

>  <CAS> (382)
86583-19-9

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

$$$$

csChFnd80/06162113462D

 40 43  0  0  0  0  0  0  0  0999 V2000
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   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
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 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> (383)
7186

>  <Formula> (383)
C30H48O7

>  <MolWeight> (383)
520.69792

>  <Cat> (383)
S0949

>  <Name> (383)
Cucurbitacin IIb

>  <Target> (383)
STAT

>  <Form> (383)
free base

>  <CAS> (383)
50298-90-3

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

$$$$

csChFnd80/06162113462D

 12 12  0  0  0  0  0  0  0  0999 V2000
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    2.4249    2.7927    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 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> (384)
7196

>  <Formula> (384)
C10H14O

>  <MolWeight> (384)
150.21756

>  <Cat> (384)
S3205

>  <Name> (384)
Perillaldehyde

>  <Target> (384)
AhR

>  <Form> (384)
free base

>  <CAS> (384)
18031-40-8

>  <URL> (384)
http://www.selleckchem.com/products/perillaldehyde.html

$$$$

csChFnd80/06162113462D

 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
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    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> (385)
7206

>  <Formula> (385)
C7H14O6

>  <MolWeight> (385)
194.18246

>  <Cat> (385)
S3223

>  <Name> (385)
L-Quebrachitol

>  <Target> (385)
TGF-beta/Smad

>  <Form> (385)
free base

>  <CAS> (385)
642-38-6

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

$$$$

csChFnd80/06162113462D

 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
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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
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   10.9035    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (386)
7218

>  <Formula> (386)
C18H20O5

>  <MolWeight> (386)
316.3484

>  <Cat> (386)
S3242

>  <Name> (386)
Loureirin B

>  <Target> (386)
PAI-1

>  <Form> (386)
free base

>  <CAS> (386)
119425-90-0

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

$$$$

csChFnd80/06162113462D

 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
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    8.4786    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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> (387)
7234

>  <Formula> (387)
C21H26O6

>  <MolWeight> (387)
374.42754

>  <Cat> (387)
S3261

>  <Name> (387)
Myrislignan

>  <Target> (387)
Interleukins

>  <Form> (387)
free base

>  <CAS> (387)
171485-39-5

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

$$$$

csChFnd80/06162113462D

 19 18  0  0  0  0  0  0  0  0999 V2000
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    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (388)
7260

>  <Formula> (388)
C17H24O2

>  <MolWeight> (388)
260.37126

>  <Cat> (388)
S3292

>  <Name> (388)
Falcarindiol

>  <Target> (388)
NOS

>  <Form> (388)
free base

>  <CAS> (388)
225110-25-8

>  <URL> (388)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/06162113462D

 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
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    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
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    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> (389)
7261

>  <Formula> (389)
C17H24O11

>  <MolWeight> (389)
404.36586

>  <Cat> (389)
S3293

>  <Name> (389)
Gardenoside

>  <Target> (389)
Interleukins

>  <Form> (389)
free base

>  <CAS> (389)
24512-62-7

>  <URL> (389)
http://www.selleckchem.com/products/gardenoside.html

$$$$

csChFnd80/06162113462D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    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> (390)
7267

>  <Formula> (390)
C19H18NO4+

>  <MolWeight> (390)
324.35052

>  <Cat> (390)
S3299

>  <Name> (390)
Demethyleneberberine

>  <Target> (390)
Peroxidases

>  <Form> (390)
free base

>  <CAS> (390)
25459-91-0

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

$$$$

csChFnd80/06162113462D

 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
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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> (391)
7272

>  <Formula> (391)
C19H17NO4

>  <MolWeight> (391)
323.34258

>  <Cat> (391)
S3304

>  <Name> (391)
Stylopine (Trahydocoptisine)

>  <Target> (391)
NOS

>  <Form> (391)
free base

>  <CAS> (391)
4312-32-7

>  <URL> (391)
http://www.selleckchem.com/products/stylopine-trahydocoptisine-.html

$$$$

csChFnd80/06162113462D

 31 36  0  0  0  0  0  0  0  0999 V2000
   11.6149    6.2716    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9535    5.4017    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4142    3.7525    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3714    5.2106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5245    7.5940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2191    2.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 23  2  0  0  0  0
 11 27  2  0  0  0  0
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 24  2  0  0  0  0
 22 26  2  0  0  0  0
 22 28  1  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
 25 30  2  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (392)
7285

>  <Formula> (392)
C20H15F3N8

>  <MolWeight> (392)
424.3819096

>  <Cat> (392)
S6762

>  <Name> (392)
Bozitinib (PLB-1001)

>  <Target> (392)
c-Met

>  <Form> (392)
free base

>  <CAS> (392)
1440964-89-5

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

$$$$

csChFnd80/06162113462D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
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7293

>  <Formula> (393)
C24H28N6O

>  <MolWeight> (393)
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>  <Cat> (393)
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>  <Name> (393)
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>  <Target> (393)
GPR

>  <Form> (393)
free base

>  <CAS> (393)
1401728-56-0

>  <URL> (393)
http://www.selleckchem.com/products/ne-52-qq57.html

$$$$

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7299

>  <Formula> (394)
C29H35F3N8O5S

>  <MolWeight> (394)
664.6990096

>  <Cat> (394)
S6868

>  <Name> (394)
Alflutinib (AST2818) mesylate

>  <Target> (394)
EGFR

>  <Form> (394)
mesylate

>  <CAS> (394)
1869057-83-9

>  <URL> (394)
http://www.selleckchem.com/products/alflutinib-ast2818-.html

$$$$

csChFnd80/06162113462D

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>  <Mol_ID> (395)
7300

>  <Formula> (395)
C31H29FN4O5

>  <MolWeight> (395)
556.5841632

>  <Cat> (395)
S6870

>  <Name> (395)
Ningetinib

>  <Target> (395)
c-Met

>  <Form> (395)
free base

>  <CAS> (395)
1394820-69-9

>  <URL> (395)
http://www.selleckchem.com/products/ningetinib.html

$$$$

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>  <Mol_ID> (396)
7324

>  <Formula> (396)
C41H52N4O4S

>  <MolWeight> (396)
696.94098

>  <Cat> (396)
S8512

>  <Name> (396)
Cenicriviroc

>  <Target> (396)
CCR

>  <Form> (396)
free base

>  <CAS> (396)
497223-25-3

>  <URL> (396)
http://www.selleckchem.com/products/cenicriviroc.html

$$$$

csChFnd80/06162113462D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (397)
7342

>  <Formula> (397)
C18H19N5O3

>  <MolWeight> (397)
353.37516

>  <Cat> (397)
S8965

>  <Name> (397)
BO-264

>  <Target> (397)
TACC3

>  <Form> (397)
free base

>  <CAS> (397)
2408648-20-2

>  <URL> (397)
http://www.selleckchem.com/products/bo-264.html

$$$$

csChFnd80/06162113462D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (398)
7357

>  <Formula> (398)
C21H13ClD3F3N4O3

>  <MolWeight> (398)
467.843434934

>  <Cat> (398)
S9621

>  <Name> (398)
Donafenib (Sorafenib D3)

>  <Target> (398)
Raf

>  <Form> (398)
free base

>  <CAS> (398)
1130115-44-4

>  <URL> (398)
http://www.selleckchem.com/products/donafenib-sorafenib-d3.html

$$$$

csChFnd80/06162113462D

 37 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (399)
7364

>  <Formula> (399)
C27H27F2N5O3

>  <MolWeight> (399)
507.5317864

>  <Cat> (399)
S9660

>  <Name> (399)
Remibrutinib (LOU064)

>  <Target> (399)
BTK

>  <Form> (399)
free base

>  <CAS> (399)
1787294-07-8

>  <URL> (399)
http://www.selleckchem.com/products/remibrutinib-lou064.html

$$$$

csChFnd80/06162113462D

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M  END
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7365

>  <Formula> (400)
C28H40N6O

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>  <Cat> (400)
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>  <Target> (400)
FLT3

>  <Form> (400)
free base

>  <CAS> (400)
1429881-91-3

>  <URL> (400)
http://www.selleckchem.com/products/unc2025.html

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csChFnd80/06162113462D

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>  <MolWeight> (401)
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>  <Cat> (401)
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>  <Synonyms> (401)
N/A

>  <Target> (401)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (401)
Free Base

>  <CAS> (401)
163655-37-6

>  <URL> (401)
https://www.selleckchem.com/products/maz51.html

$$$$

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7420

>  <Formula> (402)
C53H90O22

>  <MolWeight> (402)
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>  <Cat> (402)
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>  <Synonyms> (402)
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>  <Target> (402)
others

>  <Form> (402)
Free Base

>  <CAS> (402)
68406-26-8

>  <URL> (402)
https://www.selleckchem.com/products/ginsenoside-rb3.html

$$$$

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M  END
>  <Mol_ID> (403)
7430

>  <Formula> (403)
C53H90O22

>  <MolWeight> (403)
1079.2685

>  <Cat> (403)
S9266

>  <Name> (403)
Ginsenoside Rc

>  <Synonyms> (403)
N/A

>  <Target> (403)
Immunology & Inflammation related

>  <Form> (403)
Free Base

>  <CAS> (403)
11021-14-0

>  <URL> (403)
https://www.selleckchem.com/products/ginsenoside-rc.html

$$$$

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C41H28O27

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952.64482

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S9396

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Geraniin

>  <Synonyms> (404)
N/A

>  <Target> (404)
others

>  <Form> (404)
Free Base

>  <CAS> (404)
60976-49-0

>  <URL> (404)
https://www.selleckchem.com/products/geraniin.html

$$$$

csChFnd80/06162113462D

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>  <Mol_ID> (405)
7472

>  <Formula> (405)
C16H14IN3O2

>  <MolWeight> (405)
407.20573

>  <Cat> (405)
S0151

>  <Name> (405)
AG-1557

>  <Synonyms> (405)
N/A

>  <Target> (405)
EGFR

>  <Form> (405)
Free Base

>  <CAS> (405)
189290-58-2

>  <URL> (405)
https://www.selleckchem.com/products/ag-1557.html

$$$$

csChFnd80/06162113462D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (406)
7474

>  <Formula> (406)
C16H15FN2O4

>  <MolWeight> (406)
318.2997032

>  <Cat> (406)
S0153

>  <Name> (406)
SJ000291942

>  <Synonyms> (406)
N/A

>  <Target> (406)
TGF-beta/Smad

>  <Form> (406)
Free Base

>  <CAS> (406)
425613-09-8

>  <URL> (406)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/06162113462D

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>  <Mol_ID> (407)
7490

>  <Formula> (407)
C19H11N3OS2

>  <MolWeight> (407)
361.44014

>  <Cat> (407)
S0289

>  <Name> (407)
KIN1148

>  <Synonyms> (407)
N/A

>  <Target> (407)
anti-infection

>  <Form> (407)
Free Base

>  <CAS> (407)
1428729-56-9

>  <URL> (407)
https://www.selleckchem.com/products/kin1148.html

$$$$

csChFnd80/06162113462D

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>  <Mol_ID> (408)
7491

>  <Formula> (408)
C17H15NO2

>  <MolWeight> (408)
265.3065

>  <Cat> (408)
S0290

>  <Name> (408)
SU5204

>  <Synonyms> (408)
N/A

>  <Target> (408)
VEGFR. HER2

>  <Form> (408)
Free Base

>  <CAS> (408)
186611-11-0

>  <URL> (408)
https://www.selleckchem.com/products/su5204.html

$$$$

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>  <Mol_ID> (409)
7499

>  <Formula> (409)
C31H29FN4O5

>  <MolWeight> (409)
556.5841632

>  <Cat> (409)
S0361

>  <Name> (409)
AMG-1

>  <Synonyms> (409)
c-Met/RON Dual Kinase Inhibitor, RON-IN-1

>  <Target> (409)
c-Met

>  <Form> (409)
Free Base

>  <CAS> (409)
913376-84-8

>  <URL> (409)
https://www.selleckchem.com/products/amg-1.html

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csChFnd80/06162113462D

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M  END
>  <Mol_ID> (410)
7522

>  <Formula> (410)
C20H11N3O3

>  <MolWeight> (410)
341.31964

>  <Cat> (410)
S0781

>  <Name> (410)
IQ 3

>  <Synonyms> (410)
N/A

>  <Target> (410)
JNK. NF-¦ÊB. TNF-¦Á. IL-6

>  <Form> (410)
Free Base

>  <CAS> (410)
312538-03-7

>  <URL> (410)
https://www.selleckchem.com/products/iq-3.html

$$$$

csChFnd80/06162113462D

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>  <Mol_ID> (411)
7528

>  <Formula> (411)
C26H30N6O3

>  <MolWeight> (411)
474.5548

>  <Cat> (411)
S0826

>  <Name> (411)
A-740003

>  <Synonyms> (411)
N/A

>  <Target> (411)
P2 Receptor. Interleukins

>  <Form> (411)
Free Base

>  <CAS> (411)
861393-28-4

>  <URL> (411)
https://www.selleckchem.com/products/a-740003.html

$$$$

csChFnd80/06162113462D

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>  <Mol_ID> (412)
7530

>  <Formula> (412)
C21H14ClFN2O2

>  <MolWeight> (412)
380.7994632

>  <Cat> (412)
S0836

>  <Name> (412)
TMN355

>  <Synonyms> (412)
N/A

>  <Target> (412)
others

>  <Form> (412)
Free Base

>  <CAS> (412)
1186372-20-2

>  <URL> (412)
https://www.selleckchem.com/products/tmn355.html

$$$$

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>  <Mol_ID> (413)
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>  <Formula> (413)
C22H31N9O

>  <MolWeight> (413)
437.54124

>  <Cat> (413)
S1272

>  <Name> (413)
XL228

>  <Synonyms> (413)
N/A

>  <Target> (413)
Bcr-Abl. Aurora Kinase. IGF-1R. Src.

>  <Form> (413)
Free Base

>  <CAS> (413)
898280-07-4

>  <URL> (413)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/06162113462D

 44 48  0  0  0  0  0  0  0  0999 V2000
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   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
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 28 30  1  0  0  0  0
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 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
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 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (414)
7548

>  <Formula> (414)
C29H30O13

>  <MolWeight> (414)
586.5407

>  <Cat> (414)
S1273

>  <Name> (414)
Amarogentin

>  <Synonyms> (414)
AG

>  <Target> (414)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (414)
Free Base

>  <CAS> (414)
21018-84-8

>  <URL> (414)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/06162113462D

  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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (415)
7626

>  <Formula> (415)
C4H11O4P

>  <MolWeight> (415)
154.101501

>  <Cat> (415)
S3312

>  <Name> (415)
Diethyl phosphate

>  <Synonyms> (415)
DEP, DPF, Diethyl phosphoric acid, diethyl hydrogen phosphate

>  <Target> (415)
Interleukins

>  <Form> (415)
Phosphate

>  <CAS> (415)
598-02-7

>  <URL> (415)
https://www.selleckchem.com/products/diethyl-phosphate.html

$$$$

csChFnd80/06162113462D

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    4.6322    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
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 38 33  1  0  0  0  0
 19 39  2  0  0  0  0
M  END
>  <Mol_ID> (416)
7756

>  <Formula> (416)
C29H26FN5O3S

>  <MolWeight> (416)
543.6118432

>  <Cat> (416)
S8920

>  <Name> (416)
(Rac)-JBJ-04-125-02

>  <Synonyms> (416)
JBJ-04-125-02 racemate

>  <Target> (416)
EGFR

>  <Form> (416)
Free Base

>  <CAS> (416)
2140807-05-0

>  <URL> (416)
http://www.selleckchem.com/products/jbj-04-125-02.html

$$$$

csChFnd80/06162113462D

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M  END
>  <Mol_ID> (417)
7758

>  <Formula> (417)
C25H34O8

>  <MolWeight> (417)
462.53266

>  <Cat> (417)
S5972

>  <Name> (417)
Hydrocortisone hemisuccinate

>  <Synonyms> (417)
A-hydrocort, Hydrocortisone 21-hemisuccinate

>  <Target> (417)
Interleukins

>  <Form> (417)
Hemisuccinate

>  <CAS> (417)
2203-97-6

>  <URL> (417)
http://www.selleckchem.com/products/hydrocortisone-hemisuccinate.html

$$$$

csChFnd80/06162113462D

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    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
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M  END
>  <Mol_ID> (418)
7773

>  <Formula> (418)
C29H29ClN6O4

>  <MolWeight> (418)
561.03136

>  <Cat> (418)
S9786

>  <Name> (418)
BDTX-189

>  <Synonyms> (418)
N/A

>  <Target> (418)
EGFR

>  <Form> (418)
Free Base

>  <CAS> (418)
2414572-47-5

>  <URL> (418)
http://www.selleckchem.com/products/bdtx-189.html

$$$$

csChFnd80/06162113462D

 36 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (419)
7779

>  <Formula> (419)
C24H27Cl3FN5O3

>  <MolWeight> (419)
558.8602832

>  <Cat> (419)
S0711

>  <Name> (419)
Canertinib dihydrochloride

>  <Synonyms> (419)
CI-1033 dihydrochloride, PD-183805 dihydrochloride

>  <Target> (419)
EGFR

>  <Form> (419)
Dihydrochloride

>  <CAS> (419)
289499-45-2

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

$$$$

csChFnd80/06162113462D

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 91 95  2  0  0  0  0
 95 96  1  0  0  0  0
M  END
>  <Mol_ID> (420)
7790

>  <Formula> (420)
C72H66N8O12S4

>  <MolWeight> (420)
1363.60084

>  <Cat> (420)
P1202

>  <Name> (420)
TMPyP4 tosylate

>  <Synonyms> (420)
TMP 1363

>  <Target> (420)
G-quadruplex

>  <Form> (420)
Tosylate

>  <CAS> (420)
36951-72-1

>  <URL> (420)
http://www.selleckchem.com/products/tmpyp4-tosylate.html

$$$$

csChFnd80/06162113462D

 26 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (421)
7800

>  <Formula> (421)
C8BrF17

>  <MolWeight> (421)
498.9624544

>  <Cat> (421)
S3501

>  <Name> (421)
Perflubron

>  <Synonyms> (421)
1-Bromoperfluorooctane, Perfluorooctyl bromide, Oxygent, PFOB

>  <Target> (421)
Immunology & Inflammation related

>  <Form> (421)
Free Base

>  <CAS> (421)
423-55-2

>  <URL> (421)
http://www.selleckchem.com/products/perflubron.html

$$$$

csChFnd80/06162113462D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (422)
7807

>  <Formula> (422)
C32H28F3N5O4

>  <MolWeight> (422)
603.5910296

>  <Cat> (422)
S8682

>  <Name> (422)
AMG 487

>  <Synonyms> (422)
N/A

>  <Target> (422)
CXCR

>  <Form> (422)
Free Base

>  <CAS> (422)
473719-41-4

>  <URL> (422)
http://www.selleckchem.com/products/amg-487.html

$$$$

csChFnd80/06162113462D

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   14.8330    7.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3379    4.9969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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> (423)
7819

>  <Formula> (423)
C24H32O6

>  <MolWeight> (423)
416.50728

>  <Cat> (423)
S5973

>  <Name> (423)
Methylprednisolone Acetate

>  <Synonyms> (423)
NSC-19987 acetate, Medrol acetate

>  <Target> (423)
Glucocorticoid Receptor

>  <Form> (423)
Free Base

>  <CAS> (423)
53-36-1

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

$$$$

csChFnd80/06162113462D

 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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    8.8533    3.0408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8146    2.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6009    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8172    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.6806    5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2524    4.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    3.2084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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> (424)
7836

>  <Formula> (424)
C13H8N4OS

>  <MolWeight> (424)
268.29382

>  <Cat> (424)
S9668

>  <Name> (424)
PKR-IN-C16

>  <Synonyms> (424)
imoxin, C16, Imidazolo-oxindole PKR inhibitor C16

>  <Target> (424)
PKR

>  <Form> (424)
Free Base

>  <CAS> (424)
608512-97-6

>  <URL> (424)
http://www.selleckchem.com/products/pkr-in-c16.html

$$$$

csChFnd80/06162113462D

 63 62  0  0  0  0  0  0  0  0999 V2000
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   16.9745   12.6003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1869   10.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8244   11.2002    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
   26.6742   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   33.9489   16.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1613   17.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   30.3115   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   32.7365   14.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0368   13.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9745    8.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5240   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 58  1  0  0  0  0
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 10 13  1  0  0  0  0
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 28 40  1  0  0  0  0
 29 41  1  0  0  0  0
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 31 43  1  0  0  0  0
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 34 46  1  0  0  0  0
 35 51  1  0  0  0  0
 36 52  1  0  0  0  0
 37 47  1  0  0  0  0
 38 48  1  0  0  0  0
 39 49  1  0  0  0  0
 40 50  1  0  0  0  0
 41 53  1  0  0  0  0
 42 54  1  0  0  0  0
 43 58  1  0  0  0  0
 44 59  1  0  0  0  0
 45 60  1  0  0  0  0
 46 47  2  0  0  0  0
 48 61  1  0  0  0  0
 49 62  1  0  0  0  0
 50 63  1  0  0  0  0
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 55 56  1  0  0  0  0
 55 57  1  0  0  0  0
M  END
>  <Mol_ID> (425)
7875

>  <Formula> (425)
C57H104O6

>  <MolWeight> (425)
885.43206

>  <Cat> (425)
S3590

>  <Name> (425)
Triolein

>  <Synonyms> (425)
N/A

>  <Target> (425)
MMP

>  <Form> (425)
Free Base

>  <CAS> (425)
122-32-7

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

$$$$

csChFnd80/06162113462D

 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
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    3.6082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  1  0  0  0  0
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  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> (426)
7894

>  <Formula> (426)
C16H16N6O

>  <MolWeight> (426)
308.33784

>  <Cat> (426)
S3515

>  <Name> (426)
Benpyrine racemate

>  <Synonyms> (426)
(Rac)-Benpyrine

>  <Target> (426)
TNF-alpha

>  <Form> (426)
Free Base

>  <CAS> (426)
1333714-43-4

>  <URL> (426)
http://www.selleckchem.com/products/benpyrine-racemate.html

$$$$

csChFnd80/06162113462D

 40 41  0  0  0  0  0  0  0  0999 V2000
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    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  6  2  0  0  0  0
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 25 29  1  0  0  0  0
 25 30  1  0  0  0  0
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 28 31  1  0  0  0  0
 28 34  2  0  0  0  0
 31 36  2  0  0  0  0
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 37 39  2  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (427)
7906

>  <Formula> (427)
C28H38Cl3N5O3S

>  <MolWeight> (427)
631.05702

>  <Cat> (427)
S4967

>  <Name> (427)
Ceritinib dihydrochloride

>  <Synonyms> (427)
Zykadia, LDK378 dihydrochloride

>  <Target> (427)
ALK

>  <Form> (427)
Dihydrochloride

>  <CAS> (427)
1380575-43-8

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

$$$$

csChFnd80/06162113462D

 31 33  0  0  0  0  0  0  0  0999 V2000
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   11.2425    8.8874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9587    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    6.0874    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    4.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2425    1.8874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 22 24  2  0  0  0  0
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 25 28  2  0  0  0  0
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 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (428)
7909

>  <Formula> (428)
C21H23Cl3FN5O

>  <MolWeight> (428)
486.7976232

>  <Cat> (428)
S5190

>  <Name> (428)
Crizotinib hydrochloride

>  <Synonyms> (428)
Xalkori, PF-02341066 hydrochloride

>  <Target> (428)
c-Met

>  <Form> (428)
Hydrochloride

>  <CAS> (428)
1415560-69-8

>  <URL> (428)
http://www.selleckchem.com/products/crizotinib-hydrochloride.html

$$$$

csChFnd80/06162113462D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 25 30  1  0  0  0  0
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M  END
>  <Mol_ID> (429)
7924

>  <Formula> (429)
C26H25N5O

>  <MolWeight> (429)
423.5096

>  <Cat> (429)
S3231

>  <Name> (429)
UCB-9260

>  <Synonyms> (429)
N/A

>  <Target> (429)
TNF-alpha

>  <Form> (429)
Free Base

>  <CAS> (429)
1515888-53-5

>  <URL> (429)
http://www.selleckchem.com/products/ucb-9260.html

$$$$

csChFnd80/06162113462D

 26 31  0  0  0  0  0  0  0  0999 V2000
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  3 24  1  0  0  0  0
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  4 25  1  0  0  0  0
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 16 17  1  0  0  0  0
 18 20  1  0  0  0  0
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M  END
>  <Mol_ID> (430)
7966

>  <Formula> (430)
C21H27NO4

>  <MolWeight> (430)
357.44338

>  <Cat> (430)
S3479

>  <Name> (430)
R243

>  <Synonyms> (430)
N/A

>  <Target> (430)
CCR

>  <Form> (430)
Free Base

>  <CAS> (430)
688352-84-3

>  <URL> (430)
http://www.selleckchem.com/products/r243.html

$$$$

csChFnd80/06162113462D

 26 27  0  0  0  0  0  0  0  0999 V2000
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   15.7793    4.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1435    4.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9233    2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7131    4.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4882    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7049    2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9857    4.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 22  1  0  0  0  0
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 22 25  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (431)
7977

>  <Formula> (431)
C17H15N3O6

>  <MolWeight> (431)
357.3175

>  <Cat> (431)
S4842

>  <Name> (431)
Balsalazide

>  <Synonyms> (431)
Colazal, Giazo

>  <Target> (431)
Immunology & Inflammation related

>  <Form> (431)
Free Base

>  <CAS> (431)
80573-04-2

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

$$$$

csChFnd80/06162113462D

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4653    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3146    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.2650    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.2653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    6.8653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0248    6.8653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.4650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9743    6.8645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1866    4.7643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 13 33  1  0  0  0  0
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 16 21  2  0  0  0  0
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 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
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 20 25  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 28 29  2  0  0  0  0
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 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (432)
7978

>  <Formula> (432)
C21H16Cl2F4N4O3

>  <MolWeight> (432)
519.2763528

>  <Cat> (432)
S4947

>  <Name> (432)
Regorafenib Hydrochloride

>  <Synonyms> (432)
Stivarga, BAY 73-4506 hydrochloride

>  <Target> (432)
VEGFR

>  <Form> (432)
Hydrochloride

>  <CAS> (432)
835621-07-3

>  <URL> (432)
http://www.selleckchem.com/products/regorafenib-hydrochloride.html

$$$$

csChFnd80/06162113462D

 31 33  0  0  0  0  0  0  0  0999 V2000
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    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
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  6  8  1  0  0  0  0
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 18 27  2  0  0  0  0
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 24 29  2  0  0  0  0
 25 29  1  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (433)
7986

>  <Formula> (433)
C27H31NO3

>  <MolWeight> (433)
417.53994

>  <Cat> (433)
S3449

>  <Name> (433)
GSK5182

>  <Synonyms> (433)
N/A

>  <Target> (433)
Estrogen/progestogen Receptor

>  <Form> (433)
Free Base

>  <CAS> (433)
877387-37-6

>  <URL> (433)
http://www.selleckchem.com/products/gsk5182.html

$$$$
